#------------------------------------------------------------------------------
#$Date: 2019-11-23 12:49:25 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233350 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/87/4348792.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4348792
loop_
_publ_author_name
'Corbin, William C.'
'Nichol, Gary S.'
'Zheng, Zhiping'
_publ_section_title
;
Amidine Production by the Addition of NH3 to Nitrile(s) Bound
to and Activated by the Lewis Acidic
[Re6(\m3-Se)8]2+ Cluster
Core.
;
_journal_issue 19
_journal_name_full 'Inorganic chemistry'
_journal_page_first 9505
_journal_page_last 9508
_journal_paper_doi 10.1021/acs.inorgchem.6b01643
_journal_volume 55
_journal_year 2016
_chemical_formula_moiety
'C28 H72 N4 P4 Re6 Se8, 2(B F4), 1.5(C H2 Cl2)'
_chemical_formula_sum 'C29.5 H75 B2 Cl3 F8 N4 P4 Re6 Se8'
_chemical_formula_weight 2638.66
_space_group_crystal_system monoclinic
_space_group_IT_number 14
_space_group_name_Hall '-P 2yn'
_space_group_name_H-M_alt 'P 1 21/n 1'
_atom_sites_solution_hydrogens mixed
_atom_sites_solution_primary direct
_audit_creation_date 2014-10-27
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2014.10.22 svn.r3046 for OlexSys, GUI svn.r4928)
;
_cell_angle_alpha 90
_cell_angle_beta 92.5739(17)
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 12.2832(5)
_cell_length_b 17.9598(8)
_cell_length_c 27.4523(12)
_cell_measurement_reflns_used 9933
_cell_measurement_temperature 100.0
_cell_measurement_theta_max 27.119
_cell_measurement_theta_min 2.386
_cell_volume 6050.0(5)
_computing_cell_refinement 'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction 'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material 'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement 'ShelXL (Sheldrick, 2008)'
_computing_structure_solution 'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature 100.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type 'Bruker APEX-II CCD'
_diffrn_measurement_method '\f and \w scans'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0486
_diffrn_reflns_av_unetI/netI 0.0283
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max 15
_diffrn_reflns_limit_h_min -15
_diffrn_reflns_limit_k_max 22
_diffrn_reflns_limit_k_min -22
_diffrn_reflns_limit_l_max 34
_diffrn_reflns_limit_l_min -34
_diffrn_reflns_number 92970
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full 26.000
_diffrn_reflns_theta_max 26.372
_diffrn_reflns_theta_min 1.355
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 17.061
_exptl_absorpt_correction_T_max 0.7455
_exptl_absorpt_correction_T_min 0.4759
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0896 before and 0.0531 after correction.
The Ratio of minimum to maximum transmission is 0.6384.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour orange
_exptl_crystal_colour_primary orange
_exptl_crystal_density_diffrn 2.897
_exptl_crystal_description block
_exptl_crystal_F_000 4780
_exptl_crystal_recrystallization_method
'The material was recrystallised from a mixture of DCM and diethyl ether by solvent layering'
_exptl_crystal_size_max 0.211
_exptl_crystal_size_mid 0.106
_exptl_crystal_size_min 0.087
_refine_diff_density_max 2.694
_refine_diff_density_min -1.435
_refine_diff_density_rms 0.246
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.115
_refine_ls_hydrogen_treatment mixed
_refine_ls_matrix_type full
_refine_ls_number_parameters 618
_refine_ls_number_reflns 12371
_refine_ls_number_restraints 18
_refine_ls_restrained_S_all 1.114
_refine_ls_R_factor_all 0.0484
_refine_ls_R_factor_gt 0.0365
_refine_ls_shift/su_max 0.001
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0207P)^2^+139.9752P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0795
_refine_ls_wR_factor_ref 0.0840
_reflns_Friedel_coverage 0.000
_reflns_number_gt 10151
_reflns_number_total 12371
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file ic6b01643_si_004.cif
_cod_data_source_block mo_cc30a_0m
_cod_original_formula_sum 'C29.50 H75 B2 Cl3 F8 N4 P4 Re6 Se8'
_cod_database_code 4348792
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
All C(H,H) groups, All N(H) groups, All N(H,H) groups
At 1.5 times of:
All C(H,H,H) groups
2. Restrained distances
N4-H4B = N4-H4A = N3-H3
0.83 with sigma of 0.02
N2-H2B = N2-H2A
0.83 with sigma of 0.02
3. Rigid bond restraints
C12, C11
with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C12) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
5. Rigid body (RIGU) restrains
C12, C11
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
C10, C9
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
Fixed Sof: C30(0.5) H30A(0.5) H30B(0.5)
7.a Secondary CH2 refined with riding coordinates:
C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C7(H7A,H7B), C9(H9A,H9B), C11(H11A,
H11B), C13(H13A,H13B), C15(H15A,H15B), C17(H17A,H17B), C19(H19A,H19B),
C21(H21A,H21B), C23(H23A,H23B), C29(H29A,H29B), C30(H30A,H30B)
7.b Idealised Me refined as rotating group:
C2(H2C,H2D,H2E), C4(H4C,H4D,H4E), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C10(H10A,
H10B,H10C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C),
C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C24(H24A,H24B,
H24C), C26(H26A,H26B,H26C), C28(H28A,H28B,H28C)
;
_shelx_res_file
;
mo_cc30a_0m.res created by SHELXL-2014/7
TITL mo_cc30a_0m in P21/n #14
REM reset to P21/n #14
CELL 0.71073 12.2832 17.9598 27.4523 90 92.5739 90
ZERR 4 0.0005 0.0008 0.0012 0 0.0017 0
LATT 1
SYMM 0.5-X,0.5+Y,0.5-Z
SFAC C H B Cl F N P Re Se
UNIT 118 300 8 12 32 16 16 24 32
EQIV $1 0.5+X,1.5-Y,-0.5+Z
EQIV $2 -0.5+X,1.5-Y,-0.5+Z
EQIV $3 +X,1+Y,+Z
DFIX 0.83 N4 H4b N4 H4a N3 H3
DFIX 0.83 N2 H2b N2 H2a
DELU C12 C11
RIGU C12 C11
RIGU C10 C9
ISOR C12
L.S. 16 0 0
PLAN 5
TEMP -173.15
HTAB N2 F5_$1
HTAB N3 F8_$2
HTAB N4 F2_$3
BOND
MORE -1
CONF
fmap 2 53
acta 52
BOND $H
OMIT -4 1 11
OMIT -2 7 5
REM
REM
REM
WGHT 0.020700 139.975204
FVAR 0.01905
RE1 8 0.176920 0.698259 0.405923 11.00000 0.01629 0.00717 =
0.00900 -0.00043 0.00254 -0.00123
RE2 8 0.359178 0.759136 0.376615 11.00000 0.01676 0.00713 =
0.00900 0.00024 0.00013 -0.00234
RE3 8 0.315879 0.617548 0.357167 11.00000 0.01397 0.00619 =
0.00725 0.00052 0.00051 -0.00081
RE4 8 0.126693 0.656592 0.315369 11.00000 0.01348 0.00637 =
0.01008 0.00028 0.00054 -0.00049
RE5 8 0.307599 0.717281 0.286343 11.00000 0.01587 0.00712 =
0.00777 0.00158 0.00102 -0.00165
RE6 8 0.169159 0.797410 0.335038 11.00000 0.01766 0.00573 =
0.01296 0.00058 0.00045 -0.00031
SE1 9 0.221464 0.832620 0.422460 11.00000 0.02420 0.00793 =
0.01451 -0.00247 0.00305 -0.00119
SE2 9 0.361569 0.662792 0.442992 11.00000 0.01810 0.01067 =
0.00925 0.00054 -0.00083 -0.00214
SE3 9 0.485906 0.679365 0.328810 11.00000 0.01455 0.01292 =
0.01260 0.00020 0.00046 -0.00210
SE4 9 0.345385 0.852636 0.307548 11.00000 0.02164 0.00819 =
0.01374 0.00252 0.00044 -0.00386
SE5 9 -0.000946 0.734778 0.362771 11.00000 0.01591 0.01162 =
0.01793 -0.00196 0.00164 0.00123
SE6 9 0.139464 0.564209 0.384686 11.00000 0.01622 0.00838 =
0.01098 0.00065 0.00174 -0.00192
SE7 9 0.264066 0.581815 0.270433 11.00000 0.01550 0.00852 =
0.00895 -0.00058 0.00090 -0.00047
SE8 9 0.123951 0.753749 0.249153 11.00000 0.01940 0.00861 =
0.01416 0.00316 -0.00237 -0.00001
P1 7 0.083803 0.688073 0.483605 11.00000 0.02136 0.01679 =
0.01173 -0.00271 0.00498 -0.00335
P2 7 0.517218 0.823717 0.417902 11.00000 0.02639 0.01559 =
0.01709 0.00105 -0.00485 -0.00761
P3 7 0.404569 0.495382 0.372434 11.00000 0.01813 0.01062 =
0.01291 0.00096 0.00078 0.00194
P4 7 -0.030667 0.593151 0.273702 11.00000 0.01601 0.01013 =
0.01724 0.00033 -0.00175 -0.00116
N1 6 0.378306 0.726338 0.216548 11.00000 0.02738 0.01245 =
0.01253 0.00510 0.00314 -0.00365
H1 2 0.343230 0.705255 0.186744 11.00000 -1.20000
N2 6 0.538328 0.789945 0.232200 11.00000 0.02842 0.02938 =
0.01539 -0.00162 0.00421 -0.00590
H2A 2 0.594929 0.808554 0.222113 11.00000 -1.20000
H2B 2 0.539415 0.808108 0.259794 11.00000 -1.20000
N3 6 0.078571 0.897142 0.321869 11.00000 0.01974 0.01068 =
0.02626 0.00135 -0.00889 0.00104
H3 2 0.024448 0.888736 0.303531 11.00000 -1.20000
N4 6 0.184112 0.991228 0.354843 11.00000 0.03204 0.00662 =
0.03772 -0.00543 -0.00493 0.00428
H4A 2 0.188307 1.036689 0.359624 11.00000 -1.20000
H4B 2 0.233261 0.959781 0.355974 11.00000 -1.20000
C1 1 -0.031583 0.624767 0.480168 11.00000 0.02212 0.02611 =
0.01911 -0.00852 0.00897 -0.00455
AFIX 23
H1A 2 -0.083578 0.642558 0.454125 11.00000 -1.20000
H1B 2 -0.005165 0.575245 0.470143 11.00000 -1.20000
AFIX 0
C2 1 -0.094398 0.614924 0.527414 11.00000 0.03310 0.03014 =
0.02991 -0.00641 0.01704 -0.00510
AFIX 137
H2C 2 -0.042940 0.602602 0.554531 11.00000 -1.50000
H2D 2 -0.147662 0.574608 0.522901 11.00000 -1.50000
H2E 2 -0.132339 0.661335 0.534705 11.00000 -1.50000
AFIX 0
C3 1 0.030121 0.774358 0.509191 11.00000 0.02405 0.02926 =
0.02265 -0.00784 0.00343 -0.00315
AFIX 23
H3A 2 -0.001063 0.762550 0.540914 11.00000 -1.20000
H3B 2 0.091691 0.809073 0.515653 11.00000 -1.20000
AFIX 0
C4 1 -0.057439 0.814581 0.477138 11.00000 0.03920 0.02770 =
0.02958 -0.00694 0.01292 0.00281
AFIX 137
H4C 2 -0.083053 0.858557 0.494388 11.00000 -1.50000
H4D 2 -0.118797 0.780791 0.470118 11.00000 -1.50000
H4E 2 -0.026231 0.830012 0.446494 11.00000 -1.50000
AFIX 0
C5 1 0.168698 0.653712 0.535558 11.00000 0.03360 0.03670 =
0.01041 -0.00148 -0.00443 0.00099
AFIX 23
H5A 2 0.235765 0.684248 0.538564 11.00000 -1.20000
H5B 2 0.128624 0.660778 0.565709 11.00000 -1.20000
AFIX 0
C6 1 0.200889 0.572464 0.531869 11.00000 0.03989 0.03382 =
0.01938 0.01082 -0.00117 0.00358
AFIX 137
H6A 2 0.254926 0.560430 0.558034 11.00000 -1.50000
H6B 2 0.232227 0.563385 0.500205 11.00000 -1.50000
H6C 2 0.136317 0.541070 0.534983 11.00000 -1.50000
AFIX 0
C7 1 0.478895 0.889871 0.464723 11.00000 0.04419 0.02763 =
0.04456 -0.02102 -0.02437 0.00920
AFIX 23
H7A 2 0.424297 0.865966 0.485081 11.00000 -1.20000
H7B 2 0.544050 0.900711 0.486083 11.00000 -1.20000
AFIX 0
C8 1 0.431782 0.963926 0.445262 11.00000 0.07681 0.03328 =
0.09840 -0.01131 -0.05910 0.01222
AFIX 137
H8A 2 0.398240 0.990861 0.471774 11.00000 -1.50000
H8B 2 0.376650 0.953968 0.419161 11.00000 -1.50000
H8C 2 0.490409 0.994174 0.432439 11.00000 -1.50000
AFIX 0
C9 1 0.599512 0.875395 0.375817 11.00000 0.05770 0.07450 =
0.02726 0.01461 -0.01036 -0.04363
AFIX 23
H9A 2 0.624899 0.840644 0.350736 11.00000 -1.20000
H9B 2 0.552969 0.913318 0.359002 11.00000 -1.20000
AFIX 0
C10 1 0.700569 0.915004 0.400532 11.00000 0.07861 0.11907 =
0.03875 0.03752 -0.01812 -0.07493
AFIX 137
H10A 2 0.680224 0.937199 0.431441 11.00000 -1.50000
H10B 2 0.726050 0.954130 0.378920 11.00000 -1.50000
H10C 2 0.758943 0.878578 0.406767 11.00000 -1.50000
AFIX 0
C11 1 0.612846 0.765115 0.453649 11.00000 0.02131 0.01952 =
0.04594 -0.00328 -0.00392 -0.00412
AFIX 23
H11A 2 0.666833 0.798372 0.470380 11.00000 -1.20000
H11B 2 0.571636 0.740465 0.479300 11.00000 -1.20000
AFIX 0
C12 1 0.674929 0.705688 0.427940 11.00000 0.04923 0.12434 =
0.13782 -0.10315 -0.06385 0.05687
AFIX 137
H12A 2 0.720850 0.678090 0.451821 11.00000 -1.50000
H12B 2 0.720896 0.728878 0.403923 11.00000 -1.50000
H12C 2 0.623451 0.671417 0.411343 11.00000 -1.50000
AFIX 0
C13 1 0.388566 0.463591 0.434680 11.00000 0.03333 0.01528 =
0.01858 0.00971 0.00211 -0.00107
AFIX 23
H13A 2 0.423950 0.500454 0.457042 11.00000 -1.20000
H13B 2 0.309808 0.463692 0.440922 11.00000 -1.20000
AFIX 0
C14 1 0.434011 0.386755 0.448077 11.00000 0.04932 0.02140 =
0.02230 0.00722 -0.00425 0.00213
AFIX 137
H14A 2 0.427363 0.378121 0.483066 11.00000 -1.50000
H14B 2 0.510944 0.384280 0.440177 11.00000 -1.50000
H14C 2 0.392886 0.348563 0.429582 11.00000 -1.50000
AFIX 0
C15 1 0.551100 0.493667 0.365448 11.00000 0.02155 0.02804 =
0.04535 0.01193 0.00890 0.00960
AFIX 23
H15A 2 0.584729 0.538858 0.380284 11.00000 -1.20000
H15B 2 0.583186 0.449576 0.382302 11.00000 -1.20000
AFIX 0
C16 1 0.575033 0.490399 0.308601 11.00000 0.05531 0.04935 =
0.04984 -0.00838 0.01704 -0.00714
AFIX 137
H16A 2 0.652402 0.479669 0.304758 11.00000 -1.50000
H16B 2 0.556649 0.538427 0.293413 11.00000 -1.50000
H16C 2 0.530691 0.451103 0.292857 11.00000 -1.50000
AFIX 0
C17 1 0.358009 0.417108 0.334061 11.00000 0.04879 0.00926 =
0.01665 -0.00085 -0.00716 0.00663
AFIX 23
H17A 2 0.370610 0.429747 0.299668 11.00000 -1.20000
H17B 2 0.403710 0.373233 0.342681 11.00000 -1.20000
AFIX 0
C18 1 0.239453 0.395252 0.337710 11.00000 0.05336 0.01934 =
0.05125 -0.02023 -0.01831 0.00043
AFIX 137
H18A 2 0.225038 0.383609 0.371696 11.00000 -1.50000
H18B 2 0.223921 0.351397 0.317323 11.00000 -1.50000
H18C 2 0.192753 0.436622 0.326469 11.00000 -1.50000
AFIX 0
C19 1 -0.098129 0.521609 0.309180 11.00000 0.03223 0.01945 =
0.02211 0.00920 -0.00828 -0.01448
AFIX 23
H19A 2 -0.152259 0.495328 0.287611 11.00000 -1.20000
H19B 2 -0.043134 0.484665 0.320872 11.00000 -1.20000
AFIX 0
C20 1 -0.156227 0.553202 0.353425 11.00000 0.02695 0.07468 =
0.02211 0.00470 0.00203 -0.01966
AFIX 137
H20A 2 -0.103786 0.580960 0.374357 11.00000 -1.50000
H20B 2 -0.186630 0.512149 0.372006 11.00000 -1.50000
H20C 2 -0.215137 0.586550 0.341992 11.00000 -1.50000
AFIX 0
C21 1 -0.137512 0.658041 0.252982 11.00000 0.02220 0.01506 =
0.03292 0.00529 -0.00573 0.00357
AFIX 23
H21A 2 -0.162530 0.685494 0.281684 11.00000 -1.20000
H21B 2 -0.105238 0.694874 0.231010 11.00000 -1.20000
AFIX 0
C22 1 -0.238208 0.622880 0.225994 11.00000 0.02334 0.03215 =
0.03511 0.00832 -0.00524 -0.00393
AFIX 137
H22A 2 -0.268339 0.583806 0.246354 11.00000 -1.50000
H22B 2 -0.216518 0.601233 0.195128 11.00000 -1.50000
H22C 2 -0.293530 0.661336 0.219412 11.00000 -1.50000
AFIX 0
C23 1 -0.000143 0.538774 0.219765 11.00000 0.02446 0.02995 =
0.03523 -0.01752 -0.00549 0.00165
AFIX 23
H23A 2 0.056257 0.501396 0.229081 11.00000 -1.20000
H23B 2 -0.066661 0.511456 0.208577 11.00000 -1.20000
AFIX 0
C24 1 0.039743 0.584887 0.177261 11.00000 0.03728 0.05360 =
0.01738 -0.01018 0.00161 0.01654
AFIX 137
H24A 2 0.105686 0.612208 0.187864 11.00000 -1.50000
H24B 2 -0.017104 0.620265 0.166473 11.00000 -1.50000
H24C 2 0.056206 0.551739 0.150207 11.00000 -1.50000
AFIX 0
C25 1 0.468485 0.756073 0.202533 11.00000 0.02833 0.01053 =
0.01751 0.00398 0.00839 -0.00055
C26 1 0.496377 0.754776 0.149753 11.00000 0.04006 0.03920 =
0.01758 -0.00183 0.01330 -0.01271
AFIX 137
H26A 2 0.488643 0.804980 0.136046 11.00000 -1.50000
H26B 2 0.446966 0.720713 0.131731 11.00000 -1.50000
H26C 2 0.571695 0.737789 0.147091 11.00000 -1.50000
AFIX 0
C27 1 0.092592 0.968071 0.332871 11.00000 0.02667 0.01253 =
0.01756 -0.00040 0.00580 0.00344
C28 1 0.007029 1.024839 0.320716 11.00000 0.02608 0.01676 =
0.04541 -0.00067 -0.00056 0.00248
AFIX 137
H28A 2 -0.015138 1.048929 0.350731 11.00000 -1.50000
H28B 2 -0.056214 1.000539 0.304529 11.00000 -1.50000
H28C 2 0.036212 1.062355 0.298901 11.00000 -1.50000
AFIX 0
F5 5 0.242052 0.644312 0.713292 11.00000 0.03087 0.04830 =
0.05229 -0.00903 -0.00955 0.01212
F6 5 0.258444 0.570672 0.781627 11.00000 0.09740 0.05162 =
0.05288 -0.01376 0.02729 -0.03329
F7 5 0.230833 0.692432 0.792315 11.00000 0.07270 0.05431 =
0.05705 -0.01681 0.00225 0.00079
F8 5 0.390100 0.654377 0.764564 11.00000 0.03886 0.03570 =
0.05982 0.00038 -0.01479 -0.00733
B2 3 0.286438 0.634175 0.760336 11.00000 0.03781 0.05471 =
0.06423 0.04384 -0.01848 -0.01701
F1 5 0.219554 0.229629 0.437503 11.00000 0.04960 0.05631 =
0.03875 -0.01547 0.00869 0.01165
F2 5 0.214253 0.147318 0.373499 11.00000 0.05905 0.02398 =
0.04268 -0.00637 -0.02067 0.00197
F3 5 0.340876 0.134594 0.434076 11.00000 0.19060 0.09304 =
0.05716 -0.03574 -0.07749 0.08809
F4 5 0.345372 0.229818 0.383825 11.00000 0.10354 0.08613 =
0.13712 -0.04339 0.04904 -0.02400
B1 3 0.277147 0.180714 0.410670 11.00000 0.02566 0.02715 =
0.03207 -0.02122 -0.01165 0.01110
CL1 4 0.362567 0.726335 0.632106 11.00000 0.05884 0.04417 =
0.03336 -0.00768 -0.00144 -0.00496
CL2 4 0.304004 0.858247 0.575078 11.00000 0.06380 0.05788 =
0.04486 0.00164 -0.00261 0.00683
C29 1 0.400137 0.785494 0.583737 11.00000 0.05789 0.05020 =
0.03416 -0.01278 0.00601 -0.00454
AFIX 23
H29A 2 0.473183 0.806866 0.591447 11.00000 -1.20000
H29B 2 0.403845 0.756162 0.553324 11.00000 -1.20000
AFIX 0
CL3 4 0.069790 0.976486 0.540823 11.00000 0.14083 0.05096 =
0.12874 -0.01356 -0.07668 0.00870
C30 1 0.064702 0.995848 0.473240 10.50000 0.07748 0.03830 =
0.08554 0.00410 0.00793 0.00993
AFIX 23
H30A 2 0.116446 1.035910 0.465411 10.50000 -1.20000
H30B 2 0.083045 0.950554 0.454761 10.50000 -1.20000
AFIX 0
HKLF 4
REM mo_cc30a_0m in P21/n #14
REM R1 = 0.0365 for 10151 Fo > 4sig(Fo) and 0.0484 for all 12371 data
REM 618 parameters refined using 18 restraints
END
WGHT 0.0207 139.9275
REM Highest difference peak 2.694, deepest hole -1.435, 1-sigma level 0.246
Q1 1 0.0602 0.6606 0.2970 11.00000 0.05 2.69
Q2 1 0.1065 0.7021 0.3876 11.00000 0.05 2.47
Q3 1 0.2442 0.6065 0.3523 11.00000 0.05 2.30
Q4 1 0.6467 0.4418 0.2740 11.00000 0.05 2.24
Q5 1 0.2384 0.7971 0.3417 11.00000 0.05 2.21
;
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-7 2 -5 23.15 1.21
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8 2 -7 7.06 0.44
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1 -2 -7 6.10 0.46
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1 -2 -7 6.30 0.47
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2 -2 7 120.81 4.57
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4 2 8 39.67 1.65
-4 2 -8 41.00 1.99
4 2 8 41.08 1.66
-5 -2 -8 30.82 1.75
-5 -2 -8 33.71 1.33
-5 -2 -8 29.51 1.29
5 -2 8 29.20 1.38
5 -2 8 26.99 1.39
5 2 8 32.24 1.33
-5 2 -8 30.28 1.67
5 2 8 31.72 1.33
5 2 8 31.86 1.31
-5 2 -8 32.83 1.40
-5 2 -8 27.18 1.36
-6 -2 -8 0.72 0.22
6 -2 8 0.35 0.30
-6 -2 -8 0.42 0.43
6 -2 8 0.67 0.32
-6 -2 -8 0.22 0.23
6 2 8 0.21 0.22
-6 2 -8 0.19 0.25
6 2 8 0.39 0.22
-6 2 -8 0.74 0.40
-6 2 -8 0.84 0.31
6 2 8 0.73 0.22
-6 2 -8 0.38 0.38
-7 -2 -8 59.79 3.07
-7 -2 -8 63.53 2.69
-7 -2 -8 58.85 2.42
7 -2 8 62.01 2.55
7 -2 8 57.10 2.51
-7 -2 -8 66.14 2.41
-7 -2 -8 60.06 2.46
-7 2 -8 69.22 2.55
7 2 8 59.89 2.41
7 2 8 61.50 2.40
-7 2 -8 60.84 2.99
-7 2 -8 58.96 2.81
-7 2 -8 59.32 2.53
-7 2 -8 59.86 2.54
7 2 8 61.70 2.43
-8 -2 -8 12.76 0.78
-8 -2 -8 12.95 0.95
8 -2 8 12.04 0.87
-8 -2 -8 13.58 0.73
8 -2 8 11.61 0.88
-8 -2 -8 12.54 1.31
-8 -2 -8 11.82 0.83
-8 2 -8 13.16 0.95
-8 2 -8 12.31 0.90
-8 2 -8 13.85 0.86
-8 2 -8 12.66 1.21
8 2 8 13.70 0.73
8 2 8 13.17 0.78
8 2 8 12.95 0.76
-8 2 -8 12.59 1.16
9 -2 8 123.03 4.79
-9 -2 -8 132.72 4.65
-9 -2 -8 121.99 4.64
-9 -2 -8 124.78 5.67
9 -2 8 114.84 4.75
-9 -2 -8 122.85 4.73
-9 -2 -8 129.51 5.02
-9 2 -8 125.28 4.81
9 2 8 118.21 4.63
-9 2 -8 115.43 5.14
9 2 8 125.71 4.61
-9 2 -8 121.04 5.56
-9 2 -8 123.17 4.78
9 2 8 118.39 4.62
-10 -2 -8 10.90 0.93
10 -2 8 9.91 0.88
-10 -2 -8 9.06 1.18
-10 -2 -8 11.22 0.80
-10 -2 -8 13.32 1.00
-10 2 -8 11.82 1.32
-10 2 -8 9.62 0.91
10 2 8 9.12 0.74
-10 2 -8 10.07 0.95
-10 2 -8 11.04 1.13
-11 -2 -8 2.44 0.58
-11 -2 -8 1.79 0.59
-11 -2 -8 2.25 0.45
-11 -2 -8 0.68 0.72
11 -2 8 1.20 0.50
-11 2 -8 1.95 0.62
-11 2 -8 1.35 0.75
11 2 8 2.03 0.41
-11 2 -8 2.11 0.58
-11 2 -8 1.86 0.67
-12 -2 -8 0.30 0.72
12 -2 8 -0.48 0.40
-12 -2 -8 -0.42 0.51
-12 -2 -8 0.05 0.33
12 2 8 -0.15 0.30
-12 2 -8 0.32 0.64
-12 2 -8 0.57 0.50
-12 2 -8 -0.20 0.70
-12 2 -8 0.05 0.58
-13 -2 -8 1.35 0.71
13 -2 8 2.44 0.59
-13 -2 -8 2.74 0.47
-13 -2 -8 1.78 0.95
-13 2 -8 2.63 0.94
13 2 8 1.69 0.40
-13 2 -8 1.87 0.60
-13 2 -8 2.91 0.86
-13 2 -8 2.62 0.77
-14 -2 -8 0.32 0.68
-14 -2 -8 -0.32 0.87
14 -2 8 -0.33 0.46
-14 2 -8 0.04 0.50
-14 2 -8 0.97 0.92
-14 2 -8 -0.15 0.73
-14 2 -8 -0.28 0.70
-14 -3 8 0.03 0.65
-14 -3 8 1.53 1.06
14 -3 -8 1.64 0.49
-14 3 8 1.69 0.87
-14 3 8 1.68 0.83
-14 3 8 0.66 0.97
-14 3 8 1.47 0.51
-13 -3 8 37.27 2.55
-13 -3 8 32.64 2.05
13 -3 -8 34.13 1.66
-13 3 8 34.24 1.69
-13 3 8 29.60 1.97
-13 3 8 35.30 2.13
-13 3 8 32.29 2.51
-12 -3 8 26.82 1.83
12 -3 -8 29.65 1.54
-12 -3 8 31.25 2.28
-12 -3 8 33.40 1.78
-12 3 8 32.81 1.59
-12 3 8 31.13 1.96
-12 3 8 30.10 1.89
-12 3 8 31.14 2.32
11 -3 -8 0.61 0.40
-11 -3 8 0.15 0.45
-11 -3 8 -0.19 0.56
-11 -3 8 -0.11 0.67
-11 -3 8 -0.08 0.17
-11 3 8 0.29 0.56
-11 3 8 -0.42 0.67
-11 3 8 0.49 0.40
-11 3 8 0.12 0.61
10 -3 -8 21.83 1.19
-10 -3 8 19.87 1.39
-10 -3 8 22.99 1.32
-10 -3 8 22.91 1.74
-10 -3 8 20.80 0.91
10 3 -8 21.11 0.90
-10 3 8 21.11 1.35
-10 3 8 24.64 1.81
-10 3 8 21.37 1.20
-10 3 8 20.03 1.40
-9 -3 8 14.74 1.00
9 -3 -8 12.72 0.94
-9 -3 8 15.53 1.09
-9 -3 8 15.26 0.78
-9 -3 8 15.80 0.73
-9 -3 8 16.35 1.40
-9 3 8 16.77 1.14
-9 3 8 16.88 0.93
-9 3 8 14.72 1.07
-9 3 8 14.62 1.32
9 3 -8 15.48 0.71
-9 3 8 16.68 0.97
-9 3 8 13.53 1.10
9 3 -8 15.44 0.76
8 -3 -8 7.45 0.70
-8 -3 8 7.10 0.46
8 -3 -8 7.38 0.65
-8 -3 8 7.35 0.42
-8 -3 8 7.64 0.79
-8 -3 8 9.33 1.04
-8 -3 8 8.84 0.77
-8 3 8 8.61 0.71
8 3 -8 8.43 0.50
-8 3 8 7.32 0.62
-8 3 8 8.63 0.90
-8 3 8 7.08 0.70
-8 3 8 8.76 0.84
8 3 -8 7.25 0.46
-8 3 8 6.81 0.94
-7 -3 8 11.46 0.84
-7 -3 8 11.86 0.61
-7 -3 8 12.44 1.06
7 -3 -8 11.42 0.78
-7 -3 8 12.41 0.82
-7 -3 8 12.08 0.58
7 -3 -8 11.31 0.79
7 3 -8 11.49 0.61
-7 3 8 12.61 0.75
7 3 -8 12.98 0.64
-7 3 8 12.37 0.87
-7 3 8 12.86 0.92
-7 3 8 12.31 0.85
-7 3 8 10.12 1.06
-7 3 8 11.32 0.79
-6 -3 8 2.30 0.42
-6 -3 8 2.16 0.27
-6 -3 8 1.86 0.41
-6 -3 8 2.74 0.26
6 -3 -8 1.99 0.36
-6 -3 8 2.23 0.55
6 -3 -8 1.85 0.37
-6 3 8 2.19 0.39
-6 3 8 1.99 0.33
6 3 -8 2.31 0.28
-6 3 8 2.65 0.52
6 3 -8 2.68 0.30
-6 3 8 2.53 0.42
-6 3 8 2.95 0.43
5 -3 -8 1.19 0.32
-5 -3 8 1.62 0.24
-5 -3 8 1.79 0.23
-5 -3 8 2.11 0.48
-5 -3 8 1.63 0.35
5 -3 -8 1.40 0.30
5 3 -8 1.28 0.23
-5 3 8 1.66 0.34
-5 3 8 1.77 0.32
-5 3 8 2.19 0.46
5 3 -8 1.17 0.22
-5 3 8 1.70 0.36
-5 3 8 1.65 0.34
-4 -3 8 7.54 0.72
-4 -3 8 5.39 0.54
4 -3 -8 6.97 0.58
-4 -3 8 5.73 0.44
4 -3 -8 6.87 0.58
-4 -3 8 6.30 0.42
-4 3 8 6.04 0.61
4 3 -8 6.53 0.44
-4 3 8 6.15 0.51
4 3 -8 6.07 0.44
-4 3 8 5.40 0.51
-4 3 8 7.42 0.57
-3 -3 8 4.58 0.37
3 -3 -8 3.72 0.42
-3 -3 8 4.82 0.39
3 -3 -8 5.96 0.51
-3 -3 8 4.86 0.48
3 3 -8 5.16 0.40
-3 3 8 4.39 0.50
-3 3 8 4.59 0.48
-3 3 8 4.50 0.43
-3 3 8 5.19 0.43
-2 -3 8 12.53 0.68
-2 -3 8 13.53 0.67
2 -3 -8 12.91 0.73
-2 -3 8 11.90 0.76
2 -3 -8 12.22 0.73
2 3 -8 13.76 0.69
-2 3 8 13.35 0.62
-2 3 8 12.52 0.73
2 3 -8 13.68 0.67
-2 3 8 11.15 0.70
1 -3 -8 11.14 0.66
1 -3 -8 9.12 0.63
-1 -3 8 11.01 0.60
1 -3 -8 9.80 0.63
-1 -3 8 10.48 0.62
1 3 -8 10.03 0.59
-1 3 8 10.19 0.48
-1 3 8 11.02 0.64
-1 3 8 9.82 0.65
-1 3 8 11.00 0.65
0 -3 8 0.91 0.26
0 -3 8 1.54 0.29
0 -3 -8 1.27 0.28
0 -3 -8 0.99 0.29
0 -3 -8 1.04 0.27
0 3 8 1.20 0.30
0 3 8 1.38 0.30
0 3 8 1.44 0.29
0 3 -8 1.31 0.24
1 -3 8 14.11 0.80
-1 -3 -8 16.31 0.81
-1 -3 -8 15.19 0.81
1 -3 8 17.00 0.83
1 3 8 15.13 0.79
-1 3 -8 17.11 0.84
-1 3 -8 17.27 0.82
1 3 8 15.91 0.82
1 3 8 16.05 0.80
-1 3 -8 14.20 0.80
-2 -3 -8 40.49 2.12
-2 -3 -8 36.89 1.59
2 -3 8 40.14 1.63
-2 -3 -8 40.78 1.59
2 -3 8 38.19 1.61
-2 3 -8 39.10 1.63
2 3 8 40.03 1.59
2 3 8 37.38 1.59
2 3 8 35.73 1.57
-2 3 -8 36.07 1.61
-3 -3 -8 38.51 1.44
3 -3 8 37.86 1.64
-3 -3 -8 39.61 2.06
3 -3 8 35.59 1.60
-3 -3 -8 39.24 1.56
-3 -3 -8 38.28 1.57
-3 3 -8 34.63 1.60
-3 3 -8 39.58 1.83
3 3 8 36.46 1.56
3 3 8 36.11 1.55
-3 3 -8 38.73 1.64
3 3 8 38.30 1.56
-4 -3 -8 1.36 0.49
4 -3 8 0.95 0.33
4 3 8 1.24 0.26
5 -3 8 41.96 1.83
5 -3 8 39.81 1.80
-5 -3 -8 41.78 1.67
-5 -3 -8 44.28 1.70
-5 -3 -8 41.85 2.23
-5 3 -8 41.53 2.07
5 3 8 40.68 1.69
-5 3 -8 39.39 1.79
-5 3 -8 43.21 1.82
5 3 8 41.24 1.68
5 3 8 39.55 1.68
-6 -3 -8 85.52 3.25
6 -3 8 85.53 3.40
-6 -3 -8 85.71 3.99
-6 -3 -8 87.87 3.23
6 -3 8 80.50 3.36
-6 3 -8 83.58 3.67
6 3 8 82.87 3.25
6 3 8 89.58 3.25
6 3 8 88.83 3.25
-6 3 -8 88.41 3.87
-6 3 -8 79.27 3.36
7 -3 8 55.47 2.45
-7 -3 -8 58.57 2.37
-7 -3 -8 59.18 2.29
7 -3 8 58.76 2.48
-7 -3 -8 59.17 3.02
-7 3 -8 57.23 2.46
7 3 8 58.80 2.31
-7 3 -8 59.89 2.77
7 3 8 60.12 2.30
-7 3 -8 62.02 2.89
7 3 8 54.97 2.30
-8 -3 -8 120.00 5.49
8 -3 8 115.93 4.67
-8 -3 -8 124.37 4.81
8 -3 8 119.34 4.66
-8 -3 -8 115.21 4.48
-8 -3 -8 117.14 4.55
-8 -3 -8 125.88 4.46
8 3 8 117.13 4.48
-8 3 -8 123.92 4.69
-8 3 -8 119.12 4.67
8 3 8 126.01 4.48
-8 3 -8 117.95 5.35
8 3 8 115.18 4.48
-8 3 -8 119.45 5.06
-9 -3 -8 12.68 0.89
9 -3 8 12.77 1.01
9 -3 8 12.59 0.95
-9 -3 -8 10.75 0.75
-9 -3 -8 12.43 0.90
-9 -3 -8 9.39 1.17
9 3 8 9.34 0.71
9 3 8 12.71 0.68
-9 3 -8 11.68 1.23
-9 3 -8 10.40 0.97
-9 3 -8 10.64 0.92
-9 3 -8 11.33 1.14
-10 -3 -8 13.31 0.98
-10 -3 -8 10.69 1.37
-10 -3 -8 12.60 0.94
-10 -3 -8 11.39 0.79
10 -3 8 12.21 1.01
-10 3 -8 11.46 1.23
10 3 8 10.56 0.76
-10 3 -8 13.12 1.39
-10 3 -8 10.57 0.98
-10 3 -8 13.02 1.12
-11 -3 -8 8.97 0.92
11 -3 8 9.81 0.96
-11 -3 -8 9.80 0.75
-11 -3 -8 11.26 1.46
-11 3 -8 10.58 1.33
-11 3 -8 9.43 1.01
11 3 8 9.95 0.71
-11 3 -8 9.72 1.19
-11 3 -8 10.20 0.97
12 -3 8 11.44 1.07
-12 -3 -8 11.93 1.54
-12 -3 -8 12.20 1.11
-12 -3 -8 10.23 0.77
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-12 3 -8 13.36 1.38
-12 3 -8 8.21 1.24
-12 3 -8 9.91 0.99
12 3 8 9.33 0.71
-13 -3 -8 0.31 0.64
-13 -3 -8 1.18 0.89
13 -3 8 -0.18 0.50
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-13 3 -8 -0.83 0.48
-13 3 -8 -0.34 0.75
-13 3 -8 -0.12 0.67
14 -3 8 10.07 1.04
-14 -3 -8 10.16 1.68
-14 -3 -8 12.50 1.30
-14 3 -8 10.93 1.33
-14 3 -8 11.74 1.14
-14 3 -8 14.61 1.53
-14 3 -8 10.75 1.59
-14 -4 8 49.47 3.24
14 -4 -8 49.77 2.29
-14 -4 8 47.53 2.70
-14 4 8 52.81 2.35
-14 4 8 50.11 2.86
-14 4 8 45.93 3.23
-14 4 8 50.14 2.76
-13 -4 8 0.35 0.59
13 -4 -8 0.01 0.42
-13 -4 8 1.20 0.89
-13 4 8 1.05 0.78
-13 4 8 0.17 0.48
-13 4 8 0.53 0.96
-13 4 8 0.36 0.73
-12 -4 8 33.30 2.08
-12 -4 8 38.83 1.98
12 -4 -8 37.03 1.83
-12 -4 8 39.84 2.57
-12 4 8 39.11 1.87
-12 4 8 33.80 2.19
-12 4 8 38.53 2.53
-12 4 8 38.14 2.14
11 -4 -8 21.45 1.32
-11 -4 8 22.18 1.50
-11 -4 8 25.08 1.45
-11 -4 8 26.61 1.95
-11 4 8 23.99 1.56
-11 4 8 25.47 1.38
-11 4 8 20.91 1.60
-11 4 8 22.10 1.91
-10 -4 8 0.82 0.17
10 -4 -8 0.57 0.40
-10 -4 8 1.04 0.19
-10 -4 8 1.15 0.55
-10 -4 8 0.57 0.66
-10 -4 8 0.88 0.46
-10 4 8 0.77 0.44
-10 4 8 0.95 0.50
-10 4 8 1.23 0.62
-10 4 8 1.36 0.78
9 -4 -8 0.95 0.40
-9 -4 8 0.54 0.20
-9 -4 8 0.44 0.20
-9 -4 8 0.58 0.38
-9 -4 8 0.37 0.49
-9 -4 8 0.21 0.59
-9 4 8 0.34 0.36
9 4 -8 0.24 0.18
-9 4 8 0.65 0.48
-9 4 8 -0.02 0.47
-9 4 8 0.65 0.31
-9 4 8 1.23 0.67
-8 -4 8 90.69 3.68
-8 -4 8 86.14 3.31
-8 -4 8 96.28 3.72
-8 -4 8 87.66 4.18
8 -4 -8 89.93 3.64
8 -4 -8 88.57 3.58
8 4 -8 91.22 3.35
-8 4 8 91.61 3.55
-8 4 8 91.42 3.90
-8 4 8 91.72 3.65
8 4 -8 90.09 3.26
-8 4 8 86.40 3.56
-8 4 8 86.87 4.23
7 -4 -8 1.65 0.37
-7 -4 8 1.37 0.23
7 -4 -8 1.73 0.39
-7 -4 8 2.38 0.44
-7 -4 8 2.36 0.59
-7 -4 8 2.08 0.23
-7 -4 8 2.42 0.52
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-7 4 8 1.70 0.41
-7 4 8 2.62 0.40
-7 4 8 2.19 0.55
-7 4 8 2.27 0.47
7 4 -8 2.09 0.26
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7 4 -8 2.17 0.22
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-6 -4 8 1.79 0.50
6 -4 -8 1.68 0.36
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-6 -4 8 1.67 0.23
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6 -4 -8 2.26 0.43
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-6 4 8 2.16 0.39
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6 4 -8 1.77 0.22
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5 -4 -8 0.03 0.22
-5 -4 8 0.01 0.29
-5 -4 8 0.15 0.17
5 -4 -8 0.41 0.30
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4 -4 -8 4.17 0.46
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4 4 -8 3.23 0.31
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-4 4 8 2.77 0.38
-4 4 8 3.13 0.45
-3 -4 8 3.49 0.48
-3 -4 8 3.86 0.35
-3 -4 8 3.46 0.37
3 -4 -8 4.03 0.44
3 -4 -8 3.32 0.45
3 4 -8 3.01 0.34
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-3 4 8 3.53 0.43
3 4 -8 4.19 0.37
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-3 4 8 4.22 0.40
-2 -4 8 5.43 0.45
2 -4 -8 6.52 0.54
-2 -4 8 6.72 0.50
2 -4 -8 7.11 0.55
2 4 -8 5.77 0.47
-2 4 8 7.28 0.60
-2 4 8 4.85 0.41
2 4 -8 5.87 0.45
-2 4 8 6.36 0.54
-1 -4 8 49.64 1.93
-1 -4 8 46.77 1.93
1 -4 -8 47.09 1.97
1 -4 -8 47.92 1.97
-1 4 8 47.10 1.79
1 4 -8 47.97 1.93
-1 4 8 51.18 1.99
1 4 -8 50.05 1.94
-1 4 8 47.89 1.96
-1 4 8 45.50 1.96
0 -4 -8 124.38 4.80
0 -4 8 124.91 4.78
0 -4 -8 133.52 4.80
0 -4 8 124.51 4.78
0 4 8 131.21 4.82
0 4 8 126.43 4.80
0 4 8 123.41 4.78
0 4 -8 130.85 4.78
0 4 -8 136.06 4.80
-1 -4 -8 4.93 0.46
1 -4 8 3.55 0.39
-1 -4 -8 4.57 0.43
1 -4 8 3.21 0.41
-1 4 -8 4.00 0.43
-1 4 -8 3.52 0.37
1 4 8 4.17 0.44
1 4 8 5.75 0.49
1 4 8 2.93 0.36
-2 -4 -8 58.94 2.35
-2 -4 -8 61.50 2.34
2 -4 8 60.86 2.40
-2 -4 -8 55.57 2.93
2 -4 8 59.66 2.38
2 4 8 59.21 2.34
2 4 8 58.80 2.33
-2 4 -8 59.71 2.39
2 4 8 58.51 2.34
3 -4 8 35.62 1.57
3 -4 8 34.18 1.54
-3 -4 -8 33.28 1.46
-3 -4 -8 34.86 1.95
-3 -4 -8 34.97 1.46
-3 -4 -8 35.12 1.35
3 4 8 35.01 1.47
3 4 8 34.51 1.46
-3 4 -8 35.46 1.68
-3 4 -8 33.71 1.54
3 4 8 34.69 1.45
-4 -4 -8 265.62 9.64
4 -4 8 260.78 9.71
4 -4 8 254.58 9.73
-4 -4 -8 273.60 9.59
-4 -4 -8 273.06 9.45
-4 -4 -8 273.25 11.09
-4 4 -8 253.23 9.69
4 4 8 266.99 9.60
4 4 8 259.19 9.64
4 4 8 270.77 9.64
-4 4 -8 271.39 10.84
5 -4 8 40.71 1.80
-5 -4 -8 42.01 2.25
-5 -4 -8 40.97 1.64
5 -4 8 41.29 1.83
-5 -4 -8 40.88 1.66
-5 -4 -8 40.13 1.65
5 4 8 38.60 1.65
5 4 8 40.17 1.66
-5 4 -8 39.78 2.01
-5 4 -8 38.10 1.78
5 4 8 41.47 1.65
6 -4 8 50.34 2.21
-6 -4 -8 52.87 2.03
6 -4 8 53.93 2.26
-6 -4 -8 50.27 2.66
-6 -4 -8 51.28 2.06
6 4 8 52.76 2.04
6 4 8 51.64 2.04
-6 4 -8 50.27 2.22
-6 4 -8 51.14 2.50
6 4 8 48.88 2.03
-6 4 -8 49.45 2.44
7 -4 8 43.68 2.04
-7 -4 -8 46.96 1.80
7 -4 8 40.64 1.98
-7 -4 -8 45.17 1.88
-7 -4 -8 49.67 2.54
-7 4 -8 43.83 2.25
-7 4 -8 44.56 2.30
7 4 8 41.11 1.80
7 4 8 43.70 1.80
7 4 8 44.55 1.80
-7 4 -8 46.62 2.03
-8 -4 -8 112.06 5.20
8 -4 8 110.43 4.41
8 -4 8 107.58 4.42
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2 -1 9 60.80 2.40
-2 -1 -9 61.63 2.94
2 -1 9 62.72 2.41
2 1 9 57.78 2.38
-2 1 -9 63.47 2.40
-2 1 -9 60.24 2.82
2 1 9 61.98 2.40
2 1 9 59.71 2.39
-3 -1 -9 150.27 5.30
3 -1 9 145.48 5.48
-3 -1 -9 154.48 6.36
3 -1 9 148.02 5.49
3 -1 9 143.14 5.48
-3 -1 -9 148.09 5.44
3 1 9 147.71 5.45
3 1 9 139.37 5.46
-3 1 -9 153.59 6.26
3 1 9 145.50 5.47
-3 1 -9 151.09 5.47
4 -1 9 35.87 1.57
4 -1 9 33.05 1.54
-4 -1 -9 37.36 1.54
4 -1 9 37.09 1.56
-4 -1 -9 36.03 1.46
-4 -1 -9 35.60 1.96
-4 1 -9 38.84 1.57
4 1 9 36.66 1.54
4 1 9 37.17 1.54
4 1 9 35.87 1.54
-4 1 -9 34.40 1.56
-4 1 -9 35.60 1.88
-5 -1 -9 1.76 0.30
-5 -1 -9 2.17 0.54
5 -1 9 1.11 0.31
5 -1 9 1.38 0.34
5 -1 9 1.06 0.29
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5 1 9 1.09 0.27
5 1 9 1.83 0.31
-5 1 -9 1.26 0.30
5 1 9 1.58 0.30
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-6 -1 -9 0.76 0.47
-6 -1 -9 0.34 0.24
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-6 -1 -9 0.38 0.26
6 -1 9 1.18 0.33
6 -1 9 0.25 0.28
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6 1 9 0.54 0.27
6 1 9 0.67 0.24
-6 1 -9 0.32 0.43
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6 1 9 0.97 0.28
-7 -1 -9 1.16 0.42
7 -1 9 0.91 0.33
7 -1 9 0.87 0.34
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-7 -1 -9 0.70 0.29
-7 -1 -9 0.71 0.31
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7 1 9 0.95 0.31
-7 1 -9 0.78 0.33
7 1 9 1.14 0.28
-7 1 -9 1.27 0.33
7 1 9 0.68 0.28
-7 1 -9 0.83 0.34
8 -1 9 16.71 1.02
-8 -1 -9 15.56 0.88
-8 -1 -9 17.87 1.15
-8 -1 -9 13.54 1.27
-8 -1 -9 15.65 0.93
-8 -1 -9 16.18 0.99
8 -1 9 14.79 0.96
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-8 1 -9 17.33 1.23
-8 1 -9 15.73 1.33
8 1 9 15.42 0.90
8 1 9 17.45 0.89
-8 1 -9 19.21 0.98
8 1 9 15.70 0.93
-8 1 -9 16.60 1.03
-9 -1 -9 19.08 1.27
-9 -1 -9 19.33 1.51
-9 -1 -9 18.65 1.16
9 -1 9 16.86 1.10
-9 -1 -9 19.07 1.06
9 -1 9 18.90 1.14
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-9 1 -9 18.94 1.15
-9 1 -9 19.76 1.19
9 1 9 20.43 1.08
9 1 9 18.30 1.04
-9 1 -9 19.65 1.36
-10 -1 -9 0.45 0.44
-10 -1 -9 0.63 0.48
-10 -1 -9 1.06 0.67
-10 -1 -9 0.73 0.39
10 -1 9 0.09 0.39
10 1 9 0.02 0.34
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-10 1 -9 0.92 0.55
-10 1 -9 0.30 0.47
-11 -1 -9 1.60 0.45
11 -1 9 1.05 0.49
-11 -1 -9 1.48 0.71
-11 -1 -9 2.24 0.58
-11 -1 -9 2.43 0.62
-11 1 -9 1.90 0.67
-11 1 -9 0.34 0.47
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11 1 9 1.85 0.45
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-12 -1 -9 0.09 0.39
12 -1 9 -0.34 0.39
-12 -1 -9 -0.20 0.55
-12 -1 -9 -0.06 0.74
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12 1 9 0.26 0.38
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-13 -1 -9 10.36 1.53
-13 -1 -9 11.26 1.19
13 -1 9 10.54 0.94
-13 -1 -9 9.68 0.88
-13 1 -9 9.19 0.95
-13 1 -9 11.46 1.27
-13 1 -9 8.55 1.42
-13 1 -9 11.62 1.21
13 1 9 8.58 0.82
-14 -1 -9 -0.02 0.82
-14 -1 -9 0.21 0.70
14 -1 9 0.65 0.48
-14 1 -9 -0.37 0.71
-14 1 -9 -0.13 0.51
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-14 -2 9 4.00 1.29
-14 -2 9 5.59 1.07
14 -2 -9 5.14 0.61
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-14 2 9 4.59 0.60
-14 2 9 4.12 0.94
-14 2 9 2.87 1.13
13 -2 -9 10.94 0.83
-13 -2 9 10.67 1.13
-13 -2 9 11.73 1.29
-13 -2 9 10.88 1.55
-13 2 9 10.05 1.19
-13 2 9 9.39 1.14
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-13 2 9 8.30 1.43
-12 -2 9 7.08 0.92
-12 -2 9 7.08 0.50
-12 -2 9 5.30 1.17
-12 -2 9 4.82 0.92
12 -2 -9 6.97 0.66
-12 2 9 6.79 1.26
-12 2 9 5.44 0.91
12 2 -9 7.05 0.47
-12 2 9 6.24 0.67
-12 2 9 4.94 0.87
-11 -2 9 5.72 0.47
-11 -2 9 6.47 1.20
-11 -2 9 6.58 0.82
-11 -2 9 7.59 0.97
11 -2 -9 6.11 0.63
11 2 -9 7.00 0.49
-11 2 9 10.23 1.06
-11 2 9 4.84 0.85
-11 2 9 7.10 1.22
-11 2 9 5.36 0.62
-10 -2 9 7.01 1.10
10 -2 -9 7.46 0.66
-10 -2 9 7.41 0.82
-10 -2 9 6.57 0.81
-10 -2 9 7.45 0.53
10 2 -9 7.36 0.51
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9 -2 -9 1.36 0.37
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9 -2 -9 1.48 0.38
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-9 2 9 1.30 0.39
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-9 2 9 1.37 0.53
9 2 -9 2.10 0.29
-9 2 9 1.54 0.33
9 2 -9 2.23 0.32
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8 -2 -9 1.28 0.34
-8 -2 9 1.59 0.27
-8 -2 9 0.42 0.37
-8 -2 9 1.18 0.41
-8 -2 9 1.12 0.22
-8 -2 9 1.16 0.59
8 -2 -9 1.00 0.31
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-8 2 9 1.09 0.35
8 2 -9 0.99 0.25
-8 2 9 0.88 0.32
-8 2 9 1.04 0.42
8 2 -9 1.11 0.25
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7 -2 -9 0.79 0.30
-7 -2 9 0.98 0.50
7 -2 -9 1.25 0.32
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-7 -2 9 0.44 0.33
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-7 2 9 1.59 0.45
-7 2 9 1.02 0.28
7 2 -9 0.59 0.22
7 2 -9 1.05 0.24
-7 2 9 1.50 0.35
-7 2 9 1.09 0.35
-7 2 9 0.79 0.50
6 -2 -9 0.19 0.24
-6 -2 9 0.00 0.19
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6 -2 -9 0.18 0.24
-6 -2 9 0.30 0.28
-6 -2 9 0.18 0.16
-6 -2 9 -0.16 0.35
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-6 2 9 0.14 0.30
6 2 -9 -0.11 0.17
6 2 -9 0.37 0.19
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-6 2 9 -0.22 0.26
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-5 -2 9 4.96 0.39
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5 -2 -9 3.79 0.43
5 -2 -9 4.37 0.46
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5 2 -9 4.62 0.40
5 2 -9 4.52 0.40
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-5 2 9 3.88 0.44
-5 2 9 4.48 0.46
-5 2 9 4.73 0.45
4 -2 -9 9.25 0.63
-4 -2 9 8.74 0.56
-4 -2 9 8.31 0.65
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4 -2 -9 8.88 0.62
-4 2 9 9.58 0.64
4 2 -9 9.50 0.56
-4 2 9 9.41 0.61
-4 2 9 8.82 0.59
-4 2 9 8.74 0.67
4 2 -9 9.22 0.56
-3 -2 9 61.27 2.38
3 -2 -9 58.53 2.42
3 -2 -9 63.60 2.44
-3 -2 9 60.92 2.36
-3 -2 9 58.47 2.41
3 2 -9 63.32 2.38
3 2 -9 60.95 2.38
-3 2 9 63.72 2.59
-3 2 9 58.74 2.42
-3 2 9 62.56 2.42
-3 2 9 62.96 2.36
-2 -2 9 3.32 0.41
2 -2 -9 2.27 0.36
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-2 -2 9 2.01 0.28
2 -2 -9 2.18 0.31
2 2 -9 2.87 0.33
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-2 2 9 2.47 0.28
2 2 -9 1.98 0.31
-2 2 9 3.00 0.37
1 -2 -9 9.81 0.59
-1 -2 9 8.81 0.57
1 -2 -9 8.72 0.61
-1 -2 9 9.65 0.57
-1 2 9 8.43 0.58
-1 2 9 8.82 0.59
-1 2 9 9.31 0.46
1 2 -9 9.40 0.58
-1 2 9 9.23 0.59
1 2 -9 9.39 0.57
0 -2 9 2.55 0.32
0 -2 -9 2.00 0.31
0 -2 -9 1.63 0.29
0 -2 9 1.81 0.31
0 -2 -9 1.19 0.26
0 2 -9 2.46 0.31
0 2 9 1.78 0.31
0 2 9 1.74 0.30
-1 -2 -9 63.64 2.44
1 -2 9 65.94 2.47
1 -2 9 62.53 2.45
1 -2 9 62.14 2.45
-1 -2 -9 57.26 2.44
1 2 9 60.54 2.44
1 2 9 64.17 2.46
1 2 9 62.45 2.45
-1 2 -9 61.11 2.43
-2 -2 -9 56.80 2.22
-2 -2 -9 58.27 2.81
2 -2 9 55.78 2.24
-2 -2 -9 53.38 2.22
2 -2 9 56.15 2.26
2 -2 9 56.20 2.25
2 2 9 56.14 2.23
2 2 9 57.38 2.23
2 2 9 52.15 2.21
-2 2 -9 60.21 2.60
-2 2 -9 55.44 2.24
-3 -2 -9 190.67 8.14
3 -2 9 194.17 7.08
3 -2 9 182.66 7.08
-3 -2 -9 190.12 6.84
-3 -2 -9 189.84 7.07
-3 -2 -9 198.06 7.03
3 2 9 196.00 7.07
3 2 9 186.54 7.06
-3 2 -9 202.89 7.09
-3 2 -9 185.16 7.06
3 2 9 193.13 7.04
-3 2 -9 202.78 7.99
4 -2 9 67.07 2.69
-4 -2 -9 66.88 2.52
4 -2 9 63.09 2.67
-4 -2 -9 69.32 2.63
-4 2 -9 64.36 2.68
4 2 9 69.85 2.64
-4 2 -9 75.06 2.71
-4 2 -9 68.58 3.09
4 2 9 65.84 2.63
4 2 9 65.66 2.63
5 -2 9 3.51 0.44
-5 -2 -9 4.02 0.70
-5 -2 -9 3.96 0.40
-5 -2 -9 3.90 0.38
5 -2 9 4.74 0.51
5 2 9 4.25 0.42
-5 2 -9 3.78 0.61
-5 2 -9 3.58 0.44
5 2 9 4.19 0.41
-5 2 -9 3.58 0.44
5 2 9 4.00 0.40
6 -2 9 0.59 0.30
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-6 -2 -9 0.28 0.39
6 -2 9 0.79 0.34
-6 -2 -9 0.44 0.25
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6 2 9 0.43 0.24
6 2 9 0.90 0.28
-6 2 -9 0.74 0.31
6 2 9 0.67 0.24
-6 2 -9 0.48 0.28
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7 -2 9 31.35 1.61
-7 -2 -9 34.19 2.08
7 -2 9 36.08 1.67
-7 -2 -9 34.45 1.54
-7 -2 -9 37.66 1.53
-7 -2 -9 33.88 1.55
7 2 9 33.44 1.52
-7 2 -9 37.73 1.63
-7 2 -9 35.66 1.65
-7 2 -9 33.23 1.61
-7 2 -9 35.18 1.99
7 2 9 36.11 1.54
-7 2 -9 37.43 1.91
7 2 9 36.59 1.52
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8 -2 9 39.26 1.88
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-8 -2 -9 41.04 1.79
8 -2 9 40.24 1.91
-8 -2 -9 40.08 2.39
-8 -2 -9 41.41 2.01
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-8 2 -9 40.85 2.17
8 2 9 41.80 1.79
-8 2 -9 40.13 1.90
-8 2 -9 47.74 1.91
8 2 9 43.86 1.76
8 2 9 39.62 1.77
-9 -2 -9 36.55 1.71
-9 -2 -9 37.18 1.84
-9 -2 -9 35.76 1.63
9 -2 9 37.05 1.78
9 -2 9 34.46 1.73
-9 -2 -9 35.55 2.24
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-9 2 -9 34.20 1.74
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9 2 9 34.17 1.60
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10 -2 9 4.40 0.68
-10 -2 -9 6.67 1.10
-10 -2 -9 9.47 0.88
-10 -2 -9 8.09 0.82
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-10 2 -9 5.74 0.97
10 2 9 6.56 0.62
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11 -2 9 -0.17 0.44
-11 -2 -9 0.98 0.77
-11 -2 -9 0.57 0.40
-11 -2 -9 0.82 0.47
-11 -2 -9 0.48 0.53
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12 -2 9 6.67 0.80
-12 -2 -9 6.09 1.17
-12 -2 -9 7.09 0.70
-12 -2 -9 7.25 0.92
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-13 -2 -9 0.31 0.62
-13 -2 -9 1.41 0.46
-13 -2 -9 0.45 0.87
13 -2 9 1.78 0.58
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-13 2 -9 1.45 0.74
-13 2 -9 1.26 0.77
-13 2 -9 0.86 0.57
-14 -2 -9 3.00 1.11
-14 -2 -9 4.26 0.94
14 -2 9 5.14 0.78
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-14 2 -9 3.74 1.23
-14 2 -9 2.75 0.91
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-14 -3 9 32.19 2.54
-14 -3 9 29.39 2.05
14 -3 -9 31.05 1.58
-14 3 9 29.53 2.54
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-13 -3 9 16.76 1.87
13 -3 -9 15.40 1.06
-13 -3 9 14.56 1.41
-13 3 9 15.65 1.87
-13 3 9 14.35 1.44
-13 3 9 17.03 1.11
-13 3 9 16.02 1.51
-12 -3 9 25.34 2.05
-12 -3 9 24.96 1.52
-12 -3 9 23.39 1.62
12 -3 -9 24.85 1.32
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-12 3 9 19.08 1.96
-12 3 9 22.25 1.31
-12 3 9 20.10 1.52
-11 -3 9 41.07 2.06
-11 -3 9 39.24 1.56
-11 -3 9 38.52 2.54
11 -3 -9 42.29 1.87
-11 -3 9 38.52 2.11
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10 -3 -9 0.72 0.40
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-10 -3 9 1.29 0.56
-10 -3 9 1.60 0.78
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-9 -3 9 0.08 0.22
-9 -3 9 -0.05 0.38
-9 -3 9 -0.12 0.43
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8 -3 -9 11.68 0.83
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8 -3 -9 12.90 0.87
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7 -3 -9 0.97 0.33
-7 -3 9 0.73 0.23
7 -3 -9 0.42 0.29
-7 -3 9 0.51 0.47
-7 -3 9 0.47 0.35
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-7 3 9 0.51 0.36
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-7 3 9 1.01 0.29
6 -3 -9 0.98 0.34
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6 -3 -9 0.88 0.31
-6 -3 9 0.15 0.42
-6 -3 9 0.45 0.20
-6 -3 9 0.53 0.19
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6 3 -9 0.77 0.21
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-6 3 9 0.82 0.32
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6 3 -9 0.55 0.20
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5 -3 -9 3.34 0.43
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-5 -3 9 3.75 0.50
5 -3 -9 3.00 0.41
-5 -3 9 3.04 0.31
-5 -3 9 3.35 0.57
5 3 -9 3.29 0.34
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-5 3 9 3.79 0.43
-5 3 9 3.52 0.45
5 3 -9 3.05 0.33
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-4 -3 9 6.99 0.63
4 -3 -9 6.83 0.59
-4 -3 9 6.01 0.43
-4 -3 9 5.76 0.46
4 -3 -9 6.12 0.54
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4 3 -9 5.37 0.45
4 3 -9 5.60 0.44
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-4 3 9 7.26 0.69
-4 3 9 6.13 0.54
3 -3 -9 0.94 0.28
-3 -3 9 0.48 0.29
3 -3 -9 0.10 0.25
-3 -3 9 0.22 0.19
-3 -3 9 0.24 0.21
-3 3 9 -0.12 0.24
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-3 3 9 0.24 0.20
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3 3 -9 0.37 0.19
-2 -3 9 0.43 0.21
2 -3 -9 0.44 0.22
2 -3 -9 0.49 0.24
-2 -3 9 0.65 0.30
-2 -3 9 0.77 0.24
-2 3 9 0.39 0.24
-2 3 9 0.44 0.27
2 3 -9 0.63 0.21
-2 3 9 0.85 0.20
-1 -3 9 47.41 1.99
-1 -3 9 50.31 1.99
1 -3 -9 52.38 2.03
-1 3 9 47.90 2.01
-1 3 9 48.74 2.02
-1 3 9 50.40 1.84
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1 3 -9 49.69 1.98
0 -3 -9 0.78 0.27
0 -3 9 0.11 0.21
0 -3 9 0.48 0.26
0 -3 -9 0.72 0.27
0 3 -9 0.43 0.22
0 3 9 0.32 0.22
0 3 9 0.68 0.29
0 3 9 0.25 0.24
-1 -3 -9 1.04 0.28
1 -3 9 0.70 0.27
-1 -3 -9 1.03 0.29
1 -3 9 1.09 0.31
1 3 9 0.61 0.26
1 3 9 0.74 0.29
-1 3 -9 0.69 0.25
1 3 9 0.62 0.25
-1 3 -9 1.07 0.30
2 -3 9 175.00 6.51
2 -3 9 176.11 6.52
-2 -3 -9 172.18 7.57
-2 -3 -9 182.84 6.47
-2 -3 -9 173.11 6.50
2 3 9 181.79 6.50
2 3 9 172.63 6.49
-2 3 -9 173.36 6.50
2 3 9 180.51 6.48
3 -3 9 11.34 0.68
-3 -3 -9 8.43 0.60
-3 -3 -9 10.21 0.61
-3 -3 -9 8.14 0.44
-3 3 -9 10.02 0.74
3 3 9 8.87 0.59
-3 3 -9 9.42 0.66
3 3 9 8.50 0.59
3 3 9 7.97 0.58
-4 -3 -9 56.95 2.15
4 -3 9 52.45 2.22
4 -3 9 53.01 2.25
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-4 -3 -9 53.74 2.04
-4 3 -9 50.37 2.21
4 3 9 52.35 2.15
4 3 9 54.94 2.16
4 3 9 55.94 2.16
-4 3 -9 55.44 2.54
5 -3 9 35.88 1.65
5 -3 9 35.92 1.67
-5 -3 -9 38.18 1.56
-5 -3 -9 39.30 2.13
-5 -3 -9 35.55 1.50
5 3 9 37.19 1.55
-5 3 -9 34.64 1.64
5 3 9 38.26 1.57
5 3 9 35.98 1.56
-5 3 -9 37.86 1.93
-6 -3 -9 45.73 1.83
6 -3 9 46.09 1.99
-6 -3 -9 43.45 2.42
-6 -3 -9 44.46 1.83
6 -3 9 44.62 1.96
-6 3 -9 41.30 1.95
-6 3 -9 45.31 2.29
6 3 9 44.04 1.84
6 3 9 44.95 1.83
6 3 9 47.60 1.86
7 -3 9 26.96 1.41
-7 -3 -9 28.04 1.85
-7 -3 -9 28.12 1.32
7 -3 9 27.71 1.44
-7 -3 -9 30.22 1.27
-7 3 -9 28.50 1.69
7 3 9 27.77 1.27
7 3 9 29.43 1.26
7 3 9 28.96 1.29
-7 3 -9 25.57 1.40
-7 3 -9 28.32 1.67
-8 -3 -9 155.51 5.83
-8 -3 -9 158.22 6.19
8 -3 9 154.09 5.98
-8 -3 -9 160.93 5.77
-8 -3 -9 149.43 5.80
8 -3 9 157.92 6.00
8 3 9 146.79 5.80
-8 3 -9 158.51 5.96
-8 3 -9 155.20 6.81
-8 3 -9 161.62 6.46
-8 3 -9 154.52 5.98
8 3 9 161.31 5.80
8 3 9 159.34 5.80
-9 -3 -9 26.82 1.34
9 -3 9 27.99 1.54
-9 -3 -9 31.74 1.56
-9 -3 -9 27.46 1.45
-9 -3 -9 28.65 2.00
9 -3 9 28.58 1.53
-9 3 -9 29.43 1.58
-9 3 -9 31.09 1.57
9 3 9 28.44 1.32
-9 3 -9 27.11 1.84
-9 3 -9 26.27 1.76
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10 -3 9 10.63 0.94
-10 -3 -9 11.88 0.92
-10 -3 -9 10.24 0.89
-10 -3 -9 10.65 1.32
-10 3 -9 10.90 1.17
-10 3 -9 8.92 1.13
-10 3 -9 9.30 0.91
10 3 9 10.23 0.75
-10 3 -9 8.82 0.96
-11 -3 -9 0.14 0.46
11 -3 9 0.11 0.48
-11 -3 -9 0.12 0.69
-11 -3 -9 0.03 0.35
-11 3 -9 -0.42 0.50
-11 3 -9 0.12 0.65
-11 3 -9 0.82 0.64
-11 3 -9 -0.05 0.45
11 3 9 0.37 0.33
-12 -3 -9 6.74 0.87
-12 -3 -9 3.59 1.01
12 -3 9 5.42 0.78
-12 -3 -9 5.88 0.60
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12 3 9 4.16 0.53
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-13 -3 -9 -0.79 0.81
13 -3 9 1.37 0.61
-13 -3 -9 -0.42 0.61
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-13 3 -9 0.12 0.55
-13 3 -9 0.79 0.68
-13 3 -9 0.41 0.77
14 -3 9 1.92 0.64
-14 -3 -9 3.12 0.90
-14 -3 -9 1.30 1.04
-14 3 -9 1.61 1.03
-14 3 -9 0.20 0.77
-14 3 -9 1.19 0.68
-14 3 -9 2.05 0.96
14 -4 -9 59.08 2.62
-14 -4 9 56.25 3.59
-14 -4 9 58.33 3.06
-14 4 9 61.31 3.17
-14 4 9 55.59 3.04
-14 4 9 59.67 2.64
-14 4 9 60.54 3.70
-13 -4 9 19.45 1.70
-13 -4 9 21.47 2.15
13 -4 -9 23.39 1.34
-13 4 9 23.74 1.76
-13 4 9 22.85 1.38
-13 4 9 17.70 1.65
-13 4 9 17.59 1.97
12 -4 -9 1.03 0.46
-12 -4 9 0.58 0.55
-12 -4 9 1.16 0.84
-12 -4 9 -0.17 0.54
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11 -4 -9 0.11 0.42
-11 -4 9 -0.53 0.69
-11 -4 9 0.00 0.49
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-11 4 9 0.37 0.62
-11 4 9 -0.05 0.77
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10 -4 -9 3.69 0.57
-10 -4 9 2.72 0.70
-10 -4 9 3.76 0.64
-10 -4 9 3.17 0.30
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-9 -4 9 26.81 1.56
-9 -4 9 27.57 1.84
-9 -4 9 26.18 1.10
-9 -4 9 27.10 1.15
9 -4 -9 24.72 1.39
-9 -4 9 28.03 1.46
9 4 -9 26.16 1.13
-9 4 9 22.57 1.46
-9 4 9 25.33 1.63
-9 4 9 27.54 1.89
-9 4 9 27.22 1.34
-9 4 9 26.41 1.39
-8 -4 9 29.89 1.18
-8 -4 9 28.53 1.22
8 -4 -9 28.09 1.47
-8 -4 9 28.04 1.55
-8 -4 9 32.05 1.54
8 -4 -9 30.29 1.52
-8 -4 9 30.06 1.86
-8 4 9 30.47 1.43
-8 4 9 28.36 1.52
8 4 -9 29.20 1.18
8 4 -9 30.29 1.25
-8 4 9 29.14 1.47
-8 4 9 28.18 1.65
-7 -4 9 27.38 1.66
7 -4 -9 26.62 1.35
-7 -4 9 28.54 1.45
-7 -4 9 24.91 1.11
-7 -4 9 26.82 1.09
7 -4 -9 24.95 1.34
-7 -4 9 27.62 1.38
-7 4 9 27.36 1.31
-7 4 9 24.08 1.51
-7 4 9 24.47 1.33
-7 4 9 24.15 1.34
7 4 -9 28.11 1.14
-6 -4 9 8.05 0.68
-6 -4 9 8.06 0.48
6 -4 -9 8.58 0.69
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-6 -4 9 8.37 0.79
-6 -4 9 9.20 0.91
6 -4 -9 7.46 0.68
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6 4 -9 7.68 0.50
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-6 4 9 9.31 0.75
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-5 -4 9 0.40 0.26
-5 -4 9 0.45 0.19
5 -4 -9 0.09 0.24
-5 -4 9 0.35 0.20
5 -4 -9 0.32 0.29
-5 -4 9 0.20 0.32
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5 4 -9 0.27 0.18
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-5 4 9 0.31 0.26
-5 4 9 0.04 0.30
4 -4 -9 15.28 0.89
4 -4 -9 15.82 0.89
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-4 -4 9 15.73 0.74
-4 -4 9 14.74 0.76
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4 4 -9 14.83 0.75
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-4 4 9 14.43 0.85
-4 4 9 14.32 0.88
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3 -4 -9 0.50 0.27
-3 -4 9 0.56 0.25
-3 -4 9 0.93 0.32
3 -4 -9 0.53 0.30
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-3 4 9 0.39 0.29
-3 4 9 0.55 0.23
-3 4 9 0.49 0.30
3 4 -9 0.76 0.23
-2 -4 9 63.65 2.44
-2 -4 9 59.58 2.44
2 -4 -9 61.32 2.51
-2 4 9 61.21 2.51
2 4 -9 63.93 2.44
-2 4 9 62.61 2.34
-2 4 9 62.20 2.50
-2 4 9 65.31 2.65
-1 -4 9 51.00 2.08
-1 -4 9 52.39 2.10
1 -4 -9 52.30 2.14
-1 4 9 51.55 1.93
-1 4 9 52.60 2.14
1 4 -9 53.96 2.10
-1 4 9 49.94 2.12
1 4 -9 54.27 2.10
0 -4 9 78.24 3.02
0 -4 9 75.05 3.02
0 -4 -9 77.52 3.04
0 4 -9 78.29 3.03
0 4 9 74.61 3.03
0 4 9 80.27 3.04
0 4 9 82.15 3.06
0 4 -9 77.65 3.02
1 -4 9 25.94 1.20
-1 -4 -9 24.87 1.19
-1 -4 -9 28.04 1.23
1 -4 9 25.70 1.23
1 4 9 27.26 1.20
1 4 9 25.27 1.19
-1 4 -9 25.51 1.22
1 4 9 25.00 1.21
-2 -4 -9 0.94 0.27
2 -4 9 0.66 0.28
-2 -4 -9 0.97 0.57
2 -4 9 0.87 0.31
-2 -4 -9 1.16 0.29
-2 4 -9 0.50 0.27
2 4 9 0.86 0.29
2 4 9 0.87 0.28
2 4 9 1.25 0.26
-3 -4 -9 194.59 7.27
-3 -4 -9 208.76 7.24
3 -4 9 197.71 7.33
3 -4 9 192.07 7.33
-3 -4 -9 199.14 8.47
-3 -4 -9 198.47 7.04
3 4 9 198.66 7.25
3 4 9 199.19 7.27
-3 4 -9 207.92 8.14
-3 4 -9 191.64 7.30
3 4 9 191.59 7.27
4 -4 9 60.48 2.52
-4 -4 -9 62.97 2.39
-4 -4 -9 61.50 2.29
4 -4 9 57.79 2.48
-4 -4 -9 61.12 2.40
-4 -4 -9 62.79 3.07
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-4 4 -9 61.29 2.78
4 4 9 63.57 2.41
4 4 9 59.92 2.39
4 4 9 58.73 2.39
-5 -4 -9 68.37 3.23
5 -4 9 61.67 2.63
-5 -4 -9 63.54 2.51
5 -4 9 62.31 2.66
-5 -4 -9 65.52 2.50
-5 -4 -9 65.75 2.45
5 4 9 63.16 2.50
5 4 9 60.69 2.50
5 4 9 64.37 2.51
-5 4 -9 61.60 2.63
-5 4 -9 66.08 2.97
6 -4 9 38.16 1.78
-6 -4 -9 36.24 2.18
-6 -4 -9 39.07 1.60
6 -4 9 34.55 1.72
-6 -4 -9 38.01 1.58
6 4 9 40.43 1.59
-6 4 -9 36.19 1.98
-6 4 -9 38.07 1.97
6 4 9 36.92 1.59
6 4 9 37.76 1.59
-6 4 -9 36.87 1.74
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-7 -4 -9 85.42 4.19
-7 -4 -9 87.12 3.38
7 -4 9 85.16 3.54
7 -4 9 89.16 3.58
7 4 9 87.42 3.37
7 4 9 89.49 3.36
7 4 9 89.36 3.36
-7 4 -9 86.98 4.02
-7 4 -9 93.30 3.94
-7 4 -9 85.09 3.54
-8 -4 -9 4.10 0.48
8 -4 9 4.23 0.61
-8 -4 -9 5.64 0.60
8 -4 9 4.92 0.67
-8 -4 -9 4.63 0.45
-8 -4 -9 5.49 0.94
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8 4 9 4.60 0.47
8 4 9 4.51 0.46
8 4 9 4.74 0.45
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-9 -4 -9 97.70 3.82
-9 -4 -9 105.89 4.89
9 -4 9 98.56 4.08
-9 -4 -9 99.91 3.91
9 -4 9 98.93 4.06
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9 4 9 94.58 3.80
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10 -4 9 3.00 0.62
-10 -4 -9 3.51 0.94
-10 -4 -9 4.91 0.67
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10 4 9 3.19 0.44
-10 4 -9 3.44 0.66
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11 -4 9 0.98 0.53
-11 -4 -9 2.17 0.60
-11 -4 -9 0.51 0.82
-11 -4 -9 0.86 0.36
11 4 9 1.71 0.37
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12 -4 9 0.59 0.57
-12 -4 -9 0.74 0.83
-12 -4 -9 0.67 0.34
-12 -4 -9 -0.38 0.49
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12 4 9 0.68 0.32
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-13 -4 -9 17.70 1.45
-13 -4 -9 19.24 2.05
13 -4 9 17.01 1.41
-13 4 -9 14.35 1.32
-13 4 -9 15.31 1.48
-13 4 -9 16.42 1.84
-13 4 -9 17.32 1.69
-14 -4 -9 6.14 1.06
14 -4 9 3.03 0.80
-14 -4 -9 3.77 1.27
-14 4 -9 5.06 1.14
-14 4 -9 4.39 1.16
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14 -5 -9 9.94 0.96
-14 -5 9 8.08 1.49
-14 -5 9 8.91 1.24
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-14 5 9 8.64 0.95
-14 5 9 6.34 1.17
-14 5 9 12.14 1.74
-13 -5 9 52.41 3.24
-13 -5 9 45.76 2.69
13 -5 -9 53.42 2.44
-13 5 9 50.07 3.27
-13 5 9 54.12 2.47
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12 -5 -9 7.47 0.82
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-12 5 9 7.82 1.10
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11 -5 -9 9.76 0.93
-11 -5 9 9.35 0.95
-11 -5 9 11.00 1.38
-11 -5 9 8.29 1.06
-11 5 9 10.89 1.43
-11 5 9 8.38 0.87
-11 5 9 9.96 1.12
-11 5 9 9.45 1.20
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-10 -5 9 6.73 1.06
-10 -5 9 5.84 0.72
10 -5 -9 5.30 0.71
-10 -5 9 4.62 0.80
-10 5 9 4.93 0.81
-10 5 9 6.35 0.88
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-10 5 9 4.52 0.68
-9 -5 9 73.36 3.21
-9 -5 9 72.99 3.68
9 -5 -9 74.10 3.12
-9 -5 9 79.97 3.20
-9 -5 9 74.28 2.77
-9 5 9 68.21 3.08
-9 5 9 75.24 3.41
-9 5 9 76.47 3.08
9 5 -9 74.79 2.80
-9 5 9 72.73 3.18
-8 -5 9 79.33 2.83
-8 -5 9 80.70 3.73
-8 -5 9 78.28 3.27
-8 -5 9 78.13 3.23
-8 -5 9 72.27 2.86
8 -5 -9 74.50 3.17
-8 5 9 75.39 3.19
-8 5 9 75.58 3.45
-8 5 9 78.43 3.13
8 5 -9 74.87 2.89
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8 5 -9 77.12 2.81
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-7 -5 9 1.82 0.24
-7 -5 9 2.60 0.54
7 -5 -9 1.84 0.42
-7 -5 9 0.82 0.36
7 5 -9 1.32 0.23
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7 5 -9 1.62 0.22
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6 -5 -9 3.78 0.52
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-6 -5 9 3.22 0.52
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6 5 -9 4.05 0.35
-6 5 9 4.11 0.51
6 5 -9 3.66 0.35
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5 -5 -9 16.35 1.01
-5 -5 9 17.06 0.81
-5 -5 9 16.68 1.05
-5 -5 9 15.91 0.82
-5 -5 9 18.68 1.14
5 5 -9 16.95 0.81
-5 5 9 17.64 0.99
-5 5 9 15.68 1.00
-5 5 9 17.32 0.94
-5 5 9 18.97 1.15
5 5 -9 17.20 0.81
4 -5 -9 1.08 0.35
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-4 -5 9 0.10 0.35
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4 5 -9 0.64 0.22
-4 5 9 0.95 0.31
-4 5 9 0.88 0.36
-4 5 9 1.02 0.29
4 5 -9 0.69 0.22
-3 -5 9 3.42 0.39
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3 -5 -9 3.48 0.45
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3 5 -9 3.07 0.35
3 5 -9 2.97 0.36
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2 -5 -9 78.67 3.31
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2 5 -9 84.20 3.23
-2 5 9 84.57 3.12
2 5 -9 88.91 3.25
-2 5 9 83.50 3.32
-2 5 9 84.70 3.45
1 -5 -9 200.92 7.77
-1 -5 9 209.60 7.70
-1 -5 9 211.16 7.72
1 5 -9 224.77 7.75
-1 5 9 207.84 7.77
1 5 -9 213.03 7.70
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0 -5 -9 45.71 1.97
0 -5 9 47.00 1.97
0 -5 9 47.89 1.95
0 5 9 48.20 1.98
0 5 9 44.70 1.95
0 5 -9 48.33 1.96
0 5 9 46.97 1.98
-1 -5 -9 43.71 1.91
-1 -5 -9 47.13 1.92
1 -5 9 44.63 1.93
1 -5 9 46.10 1.93
-1 5 -9 44.57 1.92
1 5 9 45.21 1.92
1 5 9 50.92 1.94
1 5 9 44.81 1.91
-2 -5 -9 27.39 1.94
2 -5 9 33.48 1.47
2 -5 9 29.51 1.46
-2 -5 -9 32.04 1.43
-2 -5 -9 32.79 1.42
2 5 9 31.17 1.41
-2 5 -9 31.39 1.47
2 5 9 32.49 1.43
2 5 9 36.50 1.45
3 -5 9 45.08 2.01
-3 -5 -9 42.21 2.47
-3 -5 -9 47.76 1.91
-3 -5 -9 45.15 1.76
3 -5 9 46.17 1.99
-3 -5 -9 48.16 1.93
3 5 9 47.30 1.93
3 5 9 47.99 1.92
3 5 9 45.51 1.91
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4 -5 9 13.56 0.88
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-4 -5 -9 14.06 0.68
-4 -5 -9 12.02 0.75
4 -5 9 14.79 0.94
4 5 9 12.54 0.76
4 5 9 11.98 0.75
-4 5 -9 14.33 0.93
4 5 9 14.85 0.77
-4 5 -9 13.11 0.88
-5 -5 -9 90.02 3.37
-5 -5 -9 91.25 3.32
-5 -5 -9 91.95 4.22
5 -5 9 85.03 3.53
-5 -5 -9 88.75 3.39
5 -5 9 89.76 3.57
5 5 9 90.14 3.39
5 5 9 84.36 3.38
5 5 9 88.92 3.38
-5 5 -9 83.90 3.52
-5 5 -9 88.89 3.91
6 -5 9 70.47 2.99
-6 -5 -9 72.36 2.80
-6 -5 -9 72.72 2.79
-6 -5 -9 72.64 3.59
6 -5 9 71.78 3.02
6 5 9 67.68 2.80
6 5 9 72.58 2.80
-6 5 -9 74.82 3.34
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6 5 9 73.15 2.81
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7 -5 9 0.94 0.43
7 -5 9 0.51 0.38
-7 -5 -9 -0.21 0.23
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7 5 9 -0.05 0.24
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8 -5 9 111.63 4.49
-8 -5 -9 112.20 4.17
-8 -5 -9 110.46 5.25
-8 -5 -9 111.49 4.27
8 -5 9 115.22 4.48
8 5 9 111.69 4.19
8 5 9 112.56 4.18
8 5 9 110.63 4.21
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9 -5 9 1.05 0.54
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-9 -5 -9 0.95 0.75
9 -5 9 2.04 0.54
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9 5 9 0.83 0.32
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-10 -5 -9 15.27 1.08
10 -5 9 15.60 1.24
10 -5 9 13.76 1.15
-10 -5 -9 14.26 0.86
-10 -5 -9 15.39 1.68
10 5 9 14.29 0.82
-10 5 -9 16.72 1.21
-10 5 -9 12.33 1.34
-10 5 -9 14.28 1.26
-10 5 -9 14.59 1.42
11 -5 9 0.10 0.50
-11 -5 -9 0.35 0.49
-11 -5 -9 -0.18 0.29
-11 -5 -9 0.37 0.75
-11 5 -9 0.41 0.52
-11 5 -9 0.79 0.59
-11 5 -9 0.56 0.66
-11 5 -9 0.33 0.64
11 5 9 -0.07 0.28
12 -5 9 12.20 1.22
-12 -5 -9 16.28 1.29
-12 -5 -9 13.03 1.68
-12 5 -9 15.19 1.55
-12 5 -9 13.42 1.33
-12 5 -9 16.99 1.71
-12 5 -9 12.20 1.19
-13 -5 -9 0.11 0.90
-13 -5 -9 0.94 0.66
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3 -12 -9 2.22 0.65
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1 -12 9 1.22 0.53
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6 -12 9 28.36 1.90
6 -12 9 32.70 1.91
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8 -12 9 1.12 0.80
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9 -12 9 2.13 0.94
9 -12 9 3.90 0.96
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9 12 9 2.04 0.44
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-11 -12 -9 3.02 1.18
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-12 12 -9 51.10 3.05
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11 -13 -9 0.12 0.85
-11 13 9 -0.76 0.85
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10 -13 -9 58.41 3.14
-10 13 9 64.85 3.19
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-9 13 9 0.94 0.78
9 13 -9 0.66 0.30
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7 -13 -9 2.98 0.91
-7 13 9 0.72 0.69
-7 13 9 2.09 0.76
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6 -13 -9 78.42 3.54
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-6 13 9 70.65 3.52
-6 13 9 73.62 3.46
5 -13 -9 0.65 0.67
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4 -13 -9 201.99 7.89
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4 13 -9 198.82 7.56
-4 13 9 204.38 7.85
-4 13 9 205.36 7.87
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3 -13 -9 8.41 1.05
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2 -13 -9 1.28 0.66
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-1 -13 9 2.11 0.58
1 -13 -9 0.84 0.55
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-1 13 9 0.84 0.55
-1 13 9 2.34 0.55
1 13 -9 2.28 0.56
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0 -13 9 14.69 1.21
0 -13 -9 14.29 1.21
0 13 -9 13.27 1.18
0 13 9 12.82 0.97
0 13 9 13.43 1.18
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1 -13 9 3.89 0.75
1 -13 9 3.92 0.76
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1 13 9 5.44 0.72
1 13 9 3.71 0.66
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2 -13 9 3.79 0.71
2 -13 9 3.56 0.77
-2 -13 -9 3.48 0.91
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2 13 9 4.27 0.68
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3 -13 9 9.79 1.03
3 -13 9 12.14 1.20
-3 -13 -9 12.58 1.45
3 13 9 10.56 0.97
3 13 9 12.06 1.02
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-3 13 -9 9.51 1.04
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-4 13 -9 -0.19 0.49
4 13 9 -0.48 0.40
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5 -13 9 3.43 0.86
5 -13 9 1.81 0.69
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-5 13 -9 2.21 0.72
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6 -13 9 1.57 0.77
6 -13 9 1.93 0.79
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7 -13 9 4.23 0.99
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8 -13 9 0.60 0.73
8 -13 9 0.42 0.79
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9 -13 9 1.56 0.84
-9 13 -9 -0.95 0.70
-9 13 -9 0.67 0.56
-9 13 -9 1.31 0.76
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10 -13 9 5.18 1.07
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-10 13 -9 6.67 1.06
-10 13 -9 5.93 1.09
-11 -13 -9 31.71 2.65
11 -13 9 32.67 2.37
-11 13 -9 34.05 2.27
-11 13 -9 35.67 2.34
-11 13 -9 28.55 2.32
11 -14 -9 8.72 1.39
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-11 14 9 12.08 1.63
-11 14 9 7.68 1.30
10 -14 -9 11.58 1.48
-10 14 9 10.25 1.34
-10 14 9 9.60 1.47
-10 14 9 7.26 1.19
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-9 -14 9 1.48 0.41
9 -14 -9 1.77 0.92
-9 14 9 0.27 0.80
-9 14 9 0.35 0.86
-9 14 9 1.30 0.79
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-9 14 9 1.27 0.78
8 -14 -9 11.02 1.34
-8 -14 9 11.55 0.90
-8 14 9 9.66 1.23
-8 14 9 12.94 1.37
-8 14 9 10.23 1.40
-8 14 9 11.65 1.29
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7 -14 -9 22.61 1.85
-7 -14 9 19.19 1.28
-7 14 9 20.49 1.72
-7 14 9 20.57 1.70
-7 14 9 20.10 1.63
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6 -14 -9 5.81 1.03
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-6 14 9 5.33 0.94
-6 14 9 6.42 1.00
5 -14 -9 107.39 4.65
-5 -14 9 101.81 4.31
-5 14 9 110.70 4.66
-5 14 9 103.59 4.69
-5 14 9 109.02 4.60
-4 -14 9 109.63 4.65
-4 -14 9 118.99 4.66
4 -14 -9 117.09 4.95
-4 14 9 111.53 5.00
-4 14 9 118.20 4.94
4 14 -9 115.91 4.62
-4 14 9 116.96 4.89
-3 -14 9 9.18 0.97
-3 -14 9 8.90 0.93
3 -14 -9 10.17 1.22
3 14 -9 10.55 0.98
-3 14 9 9.86 1.10
-3 14 9 9.81 1.14
-3 14 9 10.35 1.18
-2 -14 9 13.49 1.13
-2 -14 9 12.06 1.11
2 -14 -9 12.37 1.21
-2 14 9 13.34 1.25
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-2 14 9 14.47 1.27
-2 14 9 15.87 1.18
1 -14 -9 14.77 1.34
-1 -14 9 15.40 1.23
-1 -14 9 13.65 1.20
-1 14 9 15.79 1.36
1 14 -9 14.95 1.16
-1 14 9 16.36 1.37
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0 -14 9 6.64 0.91
0 -14 -9 6.05 0.85
0 -14 9 4.00 0.75
0 14 9 3.98 0.66
0 14 9 3.58 0.72
0 14 9 4.18 0.75
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0 14 -9 4.77 0.77
-1 -14 -9 50.02 2.52
-1 -14 -9 54.97 3.07
1 -14 9 53.64 2.64
1 -14 9 52.40 2.59
1 14 9 48.63 2.34
1 14 9 53.93 2.55
1 14 9 55.58 2.57
-1 14 -9 54.86 2.58
-1 14 -9 52.35 2.60
2 -14 9 22.12 1.61
-2 -14 -9 22.69 1.90
2 -14 9 19.83 1.55
-2 -14 -9 21.06 1.45
2 14 9 21.16 1.43
2 14 9 23.62 1.46
-2 14 -9 21.35 1.49
-2 14 -9 22.26 1.51
3 -14 9 1.12 0.71
-3 -14 -9 0.93 0.78
3 -14 9 1.12 0.60
-3 -14 -9 0.58 0.54
-3 14 -9 0.54 0.51
3 14 9 0.94 0.52
3 14 9 0.16 0.45
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4 -14 9 2.15 0.77
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-4 -14 -9 1.92 0.55
-4 14 -9 2.17 0.69
4 14 9 0.62 0.51
-4 14 -9 2.11 0.68
4 14 9 1.78 0.54
5 -14 9 1.00 0.78
-5 -14 -9 0.61 0.78
5 -14 9 0.99 0.83
5 14 9 0.99 0.51
-5 14 -9 1.07 0.68
-5 14 -9 1.01 0.63
6 -14 9 9.97 1.26
6 -14 9 8.90 1.14
-6 -14 -9 7.61 1.23
6 14 9 8.54 0.89
-6 14 -9 9.69 1.26
-6 14 -9 10.24 1.21
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7 -14 9 1.15 0.82
7 -14 9 -0.49 0.82
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-7 14 -9 -0.74 0.64
8 -14 9 0.06 0.78
8 -14 9 0.27 0.84
-8 -14 -9 -0.37 0.79
-8 14 -9 0.21 0.71
-8 14 -9 0.35 0.77
8 14 9 0.16 0.40
9 -14 9 0.55 0.83
9 -14 9 0.55 0.93
-9 -14 -9 -0.19 0.85
9 14 9 -0.05 0.41
-9 14 -9 -0.79 0.59
-9 14 -9 -0.07 0.55
-9 14 -9 1.34 0.87
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-10 -14 -9 3.76 1.15
10 -14 9 4.29 1.03
-10 14 -9 4.65 1.19
-10 14 -9 3.58 0.96
-10 14 -9 3.78 0.89
-10 14 -9 3.90 0.96
-11 -14 -9 15.72 2.02
11 -14 9 19.10 1.91
-11 14 -9 20.06 1.74
-11 14 -9 26.19 2.00
-11 14 -9 20.10 2.11
10 -15 -9 31.90 2.35
-10 15 9 28.75 2.18
-10 15 9 34.60 2.38
-10 15 9 26.90 2.20
-10 15 9 27.38 2.33
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-9 15 9 59.90 3.02
-9 15 9 50.64 2.87
-9 15 9 54.56 3.05
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-8 15 9 2.89 0.96
-8 15 9 4.16 1.10
-8 15 9 2.83 0.86
-8 15 9 4.63 1.01
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-7 -15 9 2.56 0.60
7 -15 -9 1.89 0.88
-7 15 9 3.00 0.88
-7 15 9 2.24 0.91
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-7 15 9 1.82 0.84
-6 -15 9 79.64 3.40
6 -15 -9 80.43 3.80
-6 15 9 78.99 3.72
-6 15 9 78.44 3.83
-6 15 9 77.75 3.76
5 -15 -9 88.38 3.97
-5 -15 9 81.62 3.60
-5 15 9 86.69 3.89
-5 15 9 83.63 3.91
-5 15 9 80.58 3.92
-4 -15 9 118.74 4.90
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-4 15 9 124.36 5.14
-4 15 9 124.09 5.18
-4 15 9 118.01 5.23
-3 -15 9 94.18 4.04
-3 -15 9 94.15 3.99
3 -15 -9 92.17 4.21
-3 15 9 94.16 4.17
-3 15 9 99.20 4.26
3 15 -9 94.83 3.96
-3 15 9 94.99 4.22
2 -15 -9 2.03 0.71
-2 -15 9 1.60 0.59
-2 -15 9 1.11 0.63
-2 15 9 0.75 0.57
-2 15 9 2.35 0.69
2 15 -9 0.65 0.48
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1 -15 -9 0.10 0.63
-1 -15 9 1.03 0.63
-1 15 9 0.89 0.57
-1 15 9 -0.17 0.48
-1 15 9 0.25 0.56
1 15 -9 0.37 0.49
1 15 -9 0.77 0.49
0 -15 -9 102.01 4.80
0 -15 9 96.14 4.13
0 -15 -9 89.63 4.10
0 -15 9 95.76 4.16
0 15 9 98.86 4.16
0 15 9 89.91 4.03
0 15 9 99.28 4.16
0 15 -9 95.85 4.08
0 15 -9 96.84 4.20
-1 -15 -9 0.45 0.61
1 -15 9 0.38 0.64
1 -15 9 0.56 0.66
-1 -15 -9 1.12 0.79
1 15 9 0.39 0.51
1 15 9 0.02 0.38
-1 15 -9 0.31 0.51
1 15 9 0.97 0.58
-1 15 -9 1.06 0.55
-2 -15 -9 38.12 2.05
2 -15 9 37.46 2.21
2 -15 9 36.93 2.16
-2 -15 -9 34.27 2.41
2 15 9 37.72 2.02
-2 15 -9 38.87 2.10
2 15 9 36.92 2.03
-2 15 -9 37.24 2.11
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-3 -15 -9 1.13 0.77
-3 -15 -9 0.62 0.53
3 -15 9 -0.59 0.58
3 15 9 0.58 0.52
-3 15 -9 0.78 0.60
-3 15 -9 0.46 0.57
3 15 9 0.62 0.51
4 -15 9 8.01 1.04
4 -15 9 6.15 1.08
-4 -15 -9 8.43 1.26
4 15 9 6.88 0.85
-4 15 -9 4.50 0.90
-4 15 -9 6.06 0.96
5 -15 9 1.60 0.87
5 -15 9 1.66 0.82
-5 -15 -9 0.99 0.80
-5 15 -9 1.35 0.75
-5 15 -9 2.45 0.77
5 15 9 1.42 0.56
6 -15 9 12.39 1.55
-6 -15 -9 12.03 1.46
6 -15 9 14.93 1.51
-6 15 -9 11.57 1.34
6 15 9 14.11 1.14
-6 15 -9 16.86 1.57
7 -15 9 16.45 1.64
7 -15 9 10.28 1.42
-7 -15 -9 12.91 1.56
-7 15 -9 12.59 1.37
-7 15 -9 12.87 1.51
7 15 9 11.53 1.02
-8 -15 -9 0.14 0.84
8 -15 9 -2.40 0.78
8 -15 9 0.25 0.86
-8 15 -9 -0.68 0.72
8 15 9 0.17 0.43
-8 15 -9 0.62 0.68
-9 -15 -9 0.40 0.90
9 -15 9 0.91 0.95
9 -15 9 1.87 1.02
-9 15 -9 1.48 0.87
-9 15 -9 0.42 0.75
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12 -3 -10 13.42 1.00
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11 -3 -10 14.76 1.04
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1 2 -32 1.10 1.16
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0 -2 32 29.77 2.11
0 -2 32 27.12 2.01
0 2 32 29.04 2.11
0 2 -32 28.81 2.81
0 2 32 31.39 2.06
1 -2 32 2.98 0.83
-1 -2 -32 3.04 1.36
1 -2 32 1.42 0.80
-1 2 -32 1.37 1.18
1 2 32 -0.14 0.75
1 2 32 0.52 0.71
2 -2 32 -0.09 0.75
2 -2 32 0.42 0.71
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2 2 32 0.46 0.75
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3 -2 32 0.91 0.82
-3 2 -32 0.85 1.04
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4 -2 32 90.36 4.15
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-4 2 -32 75.85 4.69
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4 2 32 79.77 3.99
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5 -3 -32 2.90 0.89
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4 -3 -32 0.98 0.81
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-4 3 32 1.73 0.84
-4 3 32 0.95 0.70
-3 -3 32 18.41 1.63
3 -3 -32 14.52 1.51
-3 -3 32 19.02 1.72
-3 3 32 17.80 1.63
-3 3 32 15.62 1.63
2 -3 -32 4.80 1.06
-2 -3 32 6.32 1.03
-2 -3 32 5.02 1.04
-2 3 32 4.23 1.01
-2 3 32 5.21 1.05
2 3 -32 7.82 1.64
1 -3 -32 66.50 4.58
1 -3 -32 70.81 3.54
-1 -3 32 69.57 3.42
-1 -3 32 72.44 3.53
-1 3 32 72.89 3.49
1 3 -32 72.23 4.28
-1 3 32 64.35 3.47
0 -3 32 1.06 0.73
0 -3 -32 2.22 1.35
0 -3 -32 2.12 0.91
0 -3 32 -0.07 0.79
0 3 32 0.88 0.75
0 3 32 1.02 0.74
0 3 -32 2.56 1.12
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-1 -3 -32 3.82 1.58
1 -3 32 3.09 0.92
1 -3 32 4.25 0.99
1 3 32 2.98 0.92
-1 3 -32 2.00 1.16
1 3 32 2.65 0.90
2 -3 32 11.88 1.41
-2 -3 -32 12.06 2.14
2 -3 32 12.81 1.44
2 3 32 16.28 1.69
2 3 32 12.07 1.41
-2 3 -32 11.31 1.74
-3 -3 -32 31.81 3.25
3 -3 32 27.51 2.07
3 -3 32 29.08 2.16
3 3 32 28.68 2.08
-3 3 -32 28.47 2.14
3 3 32 28.45 2.13
-3 3 -32 29.58 2.54
-4 -3 -32 13.86 2.28
4 -3 32 22.05 1.90
4 -3 32 15.22 1.65
4 3 32 16.35 1.66
4 3 32 19.59 1.77
-4 3 -32 16.42 2.03
-4 3 -32 17.79 1.78
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5 -4 -32 4.89 1.07
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4 -4 -32 1.33 0.83
-4 4 32 0.94 0.72
-4 4 32 0.01 0.73
3 -4 -32 6.38 1.20
-3 -4 32 5.66 0.99
-3 -4 32 5.54 1.03
-3 4 32 6.10 1.10
-3 4 32 3.84 0.96
-2 -4 32 37.53 2.40
-2 -4 32 42.60 2.40
2 -4 -32 41.29 2.52
-2 4 32 41.50 2.48
-2 4 32 37.25 2.40
2 4 -32 38.16 3.03
-1 -4 32 25.07 1.94
1 -4 -32 24.14 1.98
1 -4 -32 25.69 2.96
-1 -4 32 23.27 1.86
-1 4 32 25.33 1.98
1 4 -32 28.99 2.55
-1 4 32 27.58 1.94
0 -4 -32 28.75 2.08
0 -4 32 25.87 1.98
0 -4 -32 21.21 2.76
0 -4 32 25.99 2.03
0 4 32 28.05 2.05
0 4 -32 27.72 2.61
0 4 32 29.56 2.00
1 -4 32 33.35 2.20
1 -4 32 28.87 2.15
-1 -4 -32 33.61 3.43
-1 -4 -32 33.01 2.21
-1 4 -32 31.21 2.18
-1 4 -32 29.73 2.58
1 4 32 28.77 2.14
1 4 32 31.47 2.15
-2 -4 -32 1.23 1.31
2 -4 32 0.13 0.75
2 -4 32 -0.43 0.74
-2 4 -32 0.55 0.75
-2 4 -32 0.30 0.86
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2 4 32 0.79 0.80
3 -4 32 1.72 0.91
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3 -4 32 1.06 0.83
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3 4 32 1.44 0.89
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3 4 32 1.70 0.84
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4 -4 32 8.92 1.34
4 -4 32 6.82 1.22
4 4 32 6.20 1.14
-4 4 -32 7.92 1.28
-4 4 -32 7.67 1.46
4 4 32 7.33 1.18
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5 -5 -32 0.39 0.78
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4 -5 -32 6.55 1.12
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-3 -5 32 2.58 0.79
3 -5 -32 2.43 0.97
3 5 -32 2.46 1.22
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-2 -5 32 8.09 1.25
2 -5 -32 7.78 1.19
2 5 -32 7.36 1.48
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-2 5 32 8.80 1.26
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1 -5 -32 12.34 1.48
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1 -5 -32 10.80 2.15
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1 5 -32 14.18 1.86
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1 5 -32 11.52 1.45
0 -5 -32 0.94 0.81
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0 -5 32 0.31 0.82
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0 5 -32 1.48 1.02
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-1 -5 -32 9.53 1.30
1 -5 32 10.18 1.43
1 -5 32 10.73 1.38
1 5 32 8.53 1.31
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1 5 32 8.95 1.30
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2 -5 32 25.33 1.98
2 -5 32 28.54 2.11
2 5 32 24.22 2.11
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2 5 32 27.28 2.18
-2 5 -32 23.18 2.32
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3 -5 32 0.25 0.79
3 5 32 0.50 0.81
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3 5 32 1.30 0.90
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4 -6 -32 1.00 0.85
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-4 6 32 1.01 0.73
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-3 -6 32 2.13 0.84
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3 6 -32 -0.59 0.66
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-3 6 32 1.47 0.84
3 6 -32 1.16 1.15
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2 -6 -32 0.27 0.78
2 6 -32 1.57 0.99
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2 6 -32 1.44 0.80
1 -6 -32 10.11 1.36
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1 -6 -32 8.03 1.94
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1 6 -32 7.15 1.16
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2 -7 32 9.69 1.34
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1 -8 -32 -0.13 1.23
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-4 2 33 2.81 0.87
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1 -2 -33 46.48 2.72
1 -2 -33 45.88 3.64
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-2 -3 33 69.77 3.63
2 -3 -33 75.60 3.74
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-2 3 33 71.70 3.68
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1 -3 -33 10.64 2.10
1 -3 -33 11.38 1.38
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2 -4 -33 2.21 0.94
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1 -4 -33 60.66 4.38
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-1 -4 33 63.48 3.27
1 -4 -33 63.48 3.33
1 4 -33 61.00 3.89
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0 -4 -33 4.40 1.09
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2 -5 -33 16.32 1.78
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2 5 -33 21.19 1.87
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-2 5 33 17.01 1.63
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2 2 -34 8.04 1.73
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-2 2 34 7.92 1.25
1 -2 -34 53.68 3.99
-1 -2 34 55.14 2.96
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1 2 -34 54.10 3.85
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0 -2 -34 4.03 1.61
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0 2 34 5.82 1.21
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1 -3 -34 20.83 1.88
1 -3 -34 20.29 2.75
-1 -3 34 29.83 2.08
-1 3 34 23.10 2.09
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1 3 -34 30.65 2.91
0 0 0 0.00 0.00
;
_shelx_hkl_checksum 69665
_shelx_shelxl_version_number 2014/7
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems Cryostream 700+'
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a mylar loop in Paratone oil'
_olex2_submission_original_sample_id cc30a
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Re1 Re 0.17692(3) 0.69826(2) 0.40592(2) 0.01076(8) Uani 1 1 d . . .
Re2 Re 0.35918(3) 0.75914(2) 0.37662(2) 0.01098(8) Uani 1 1 d . . .
Re3 Re 0.31588(3) 0.61755(2) 0.35717(2) 0.00914(8) Uani 1 1 d . . .
Re4 Re 0.12669(3) 0.65659(2) 0.31537(2) 0.00997(8) Uani 1 1 d . . .
Re5 Re 0.30760(3) 0.71728(2) 0.28634(2) 0.01024(8) Uani 1 1 d . . .
Re6 Re 0.16916(3) 0.79741(2) 0.33504(2) 0.01212(8) Uani 1 1 d . . .
Se1 Se 0.22146(8) 0.83262(5) 0.42246(3) 0.01548(19) Uani 1 1 d . . .
Se2 Se 0.36157(7) 0.66279(5) 0.44299(3) 0.01272(18) Uani 1 1 d . . .
Se3 Se 0.48591(7) 0.67937(5) 0.32881(3) 0.01336(18) Uani 1 1 d . . .
Se4 Se 0.34539(8) 0.85264(5) 0.30755(3) 0.01453(19) Uani 1 1 d . . .
Se5 Se -0.00095(7) 0.73478(5) 0.36277(3) 0.01513(19) Uani 1 1 d . . .
Se6 Se 0.13946(7) 0.56421(5) 0.38469(3) 0.01183(18) Uani 1 1 d . . .
Se7 Se 0.26407(7) 0.58182(5) 0.27043(3) 0.01098(17) Uani 1 1 d . . .
Se8 Se 0.12395(7) 0.75375(5) 0.24915(3) 0.01415(19) Uani 1 1 d . . .
P1 P 0.0838(2) 0.68807(14) 0.48360(9) 0.0165(5) Uani 1 1 d . . .
P2 P 0.5172(2) 0.82372(15) 0.41790(10) 0.0199(5) Uani 1 1 d . . .
P3 P 0.40457(19) 0.49538(13) 0.37243(9) 0.0139(5) Uani 1 1 d . . .
P4 P -0.03067(19) 0.59315(13) 0.27370(9) 0.0145(5) Uani 1 1 d . . .
N1 N 0.3783(7) 0.7263(4) 0.2165(3) 0.0174(17) Uani 1 1 d . . .
H1 H 0.343(9) 0.705(6) 0.187(4) 0.021 Uiso 1 1 d R . .
N2 N 0.5383(8) 0.7899(5) 0.2322(3) 0.024(2) Uani 1 1 d D . .
H2A H 0.595(6) 0.809(6) 0.222(4) 0.029 Uiso 1 1 d DR . .
H2B H 0.539(10) 0.808(6) 0.2598(19) 0.029 Uiso 1 1 d DR . .
N3 N 0.0786(7) 0.8971(5) 0.3219(3) 0.0192(18) Uani 1 1 d D . .
H3 H 0.024(6) 0.889(6) 0.304(3) 0.023 Uiso 1 1 d DR . .
N4 N 0.1841(8) 0.9912(5) 0.3548(4) 0.026(2) Uani 1 1 d D . .
H4A H 0.188(10) 1.0367(17) 0.360(4) 0.031 Uiso 1 1 d DR . .
H4B H 0.233(7) 0.960(5) 0.356(4) 0.031 Uiso 1 1 d DR . .
C1 C -0.0316(8) 0.6248(6) 0.4802(4) 0.022(2) Uani 1 1 d . . .
H1A H -0.0836 0.6426 0.4541 0.027 Uiso 1 1 calc R . .
H1B H -0.0052 0.5752 0.4701 0.027 Uiso 1 1 calc R . .
C2 C -0.0944(9) 0.6149(7) 0.5274(4) 0.031(3) Uani 1 1 d . . .
H2C H -0.0429 0.6026 0.5545 0.046 Uiso 1 1 calc GR . .
H2D H -0.1477 0.5746 0.5229 0.046 Uiso 1 1 calc GR . .
H2E H -0.1323 0.6613 0.5347 0.046 Uiso 1 1 calc GR . .
C3 C 0.0301(8) 0.7744(6) 0.5092(4) 0.025(2) Uani 1 1 d . . .
H3A H -0.0011 0.7625 0.5409 0.030 Uiso 1 1 calc R . .
H3B H 0.0917 0.8091 0.5157 0.030 Uiso 1 1 calc R . .
C4 C -0.0574(10) 0.8146(7) 0.4771(4) 0.032(3) Uani 1 1 d . . .
H4C H -0.0831 0.8586 0.4944 0.048 Uiso 1 1 calc GR . .
H4D H -0.1188 0.7808 0.4701 0.048 Uiso 1 1 calc GR . .
H4E H -0.0262 0.8300 0.4465 0.048 Uiso 1 1 calc GR . .
C5 C 0.1687(9) 0.6537(7) 0.5356(4) 0.027(2) Uani 1 1 d . . .
H5A H 0.2358 0.6842 0.5386 0.032 Uiso 1 1 calc R . .
H5B H 0.1286 0.6608 0.5657 0.032 Uiso 1 1 calc R . .
C6 C 0.2009(10) 0.5725(7) 0.5319(4) 0.031(3) Uani 1 1 d . . .
H6A H 0.2549 0.5604 0.5580 0.047 Uiso 1 1 calc GR . .
H6B H 0.2322 0.5634 0.5002 0.047 Uiso 1 1 calc GR . .
H6C H 0.1363 0.5411 0.5350 0.047 Uiso 1 1 calc GR . .
C7 C 0.4789(11) 0.8899(7) 0.4647(5) 0.040(3) Uani 1 1 d . . .
H7A H 0.4243 0.8660 0.4851 0.048 Uiso 1 1 calc R . .
H7B H 0.5441 0.9007 0.4861 0.048 Uiso 1 1 calc R . .
C8 C 0.4318(14) 0.9639(8) 0.4453(7) 0.071(6) Uani 1 1 d . . .
H8A H 0.3982 0.9909 0.4718 0.107 Uiso 1 1 calc GR . .
H8B H 0.3766 0.9540 0.4192 0.107 Uiso 1 1 calc GR . .
H8C H 0.4904 0.9942 0.4324 0.107 Uiso 1 1 calc GR . .
C9 C 0.5995(12) 0.8754(9) 0.3758(5) 0.054(4) Uani 1 1 d . U .
H9A H 0.6249 0.8406 0.3507 0.064 Uiso 1 1 calc R . .
H9B H 0.5530 0.9133 0.3590 0.064 Uiso 1 1 calc R . .
C10 C 0.7006(14) 0.9150(11) 0.4005(6) 0.079(7) Uani 1 1 d . U .
H10A H 0.6802 0.9372 0.4314 0.119 Uiso 1 1 calc GR . .
H10B H 0.7260 0.9541 0.3789 0.119 Uiso 1 1 calc GR . .
H10C H 0.7589 0.8786 0.4068 0.119 Uiso 1 1 calc GR . .
C11 C 0.6128(9) 0.7651(6) 0.4536(5) 0.029(2) Uani 1 1 d . U .
H11A H 0.6668 0.7984 0.4704 0.035 Uiso 1 1 calc R . .
H11B H 0.5716 0.7405 0.4793 0.035 Uiso 1 1 calc R . .
C12 C 0.6749(13) 0.7057(12) 0.4279(8) 0.106(9) Uani 1 1 d . U .
H12A H 0.7208 0.6781 0.4518 0.159 Uiso 1 1 calc GR . .
H12B H 0.7209 0.7289 0.4039 0.159 Uiso 1 1 calc GR . .
H12C H 0.6235 0.6714 0.4113 0.159 Uiso 1 1 calc GR . .
C13 C 0.3886(9) 0.4636(6) 0.4347(4) 0.022(2) Uani 1 1 d . . .
H13A H 0.4239 0.5005 0.4570 0.027 Uiso 1 1 calc R . .
H13B H 0.3098 0.4637 0.4409 0.027 Uiso 1 1 calc R . .
C14 C 0.4340(10) 0.3868(6) 0.4481(4) 0.031(3) Uani 1 1 d . . .
H14A H 0.4274 0.3781 0.4831 0.047 Uiso 1 1 calc GR . .
H14B H 0.5109 0.3843 0.4402 0.047 Uiso 1 1 calc GR . .
H14C H 0.3929 0.3486 0.4296 0.047 Uiso 1 1 calc GR . .
C15 C 0.5511(9) 0.4937(7) 0.3654(5) 0.031(3) Uani 1 1 d . . .
H15A H 0.5847 0.5389 0.3803 0.038 Uiso 1 1 calc R . .
H15B H 0.5832 0.4496 0.3823 0.038 Uiso 1 1 calc R . .
C16 C 0.5750(12) 0.4904(9) 0.3086(5) 0.051(4) Uani 1 1 d . . .
H16A H 0.6524 0.4797 0.3048 0.077 Uiso 1 1 calc GR . .
H16B H 0.5566 0.5384 0.2934 0.077 Uiso 1 1 calc GR . .
H16C H 0.5307 0.4511 0.2929 0.077 Uiso 1 1 calc GR . .
C17 C 0.3580(9) 0.4171(5) 0.3341(4) 0.025(2) Uani 1 1 d . . .
H17A H 0.3706 0.4297 0.2997 0.030 Uiso 1 1 calc R . .
H17B H 0.4037 0.3732 0.3427 0.030 Uiso 1 1 calc R . .
C18 C 0.2395(11) 0.3953(7) 0.3377(5) 0.042(3) Uani 1 1 d . . .
H18A H 0.2250 0.3836 0.3717 0.063 Uiso 1 1 calc GR . .
H18B H 0.2239 0.3514 0.3173 0.063 Uiso 1 1 calc GR . .
H18C H 0.1928 0.4366 0.3265 0.063 Uiso 1 1 calc GR . .
C19 C -0.0981(9) 0.5216(6) 0.3092(4) 0.025(2) Uani 1 1 d . . .
H19A H -0.1523 0.4953 0.2876 0.030 Uiso 1 1 calc R . .
H19B H -0.0431 0.4847 0.3209 0.030 Uiso 1 1 calc R . .
C20 C -0.1562(10) 0.5532(9) 0.3534(4) 0.041(3) Uani 1 1 d . . .
H20A H -0.1038 0.5810 0.3744 0.062 Uiso 1 1 calc GR . .
H20B H -0.1866 0.5121 0.3720 0.062 Uiso 1 1 calc GR . .
H20C H -0.2151 0.5865 0.3420 0.062 Uiso 1 1 calc GR . .
C21 C -0.1375(8) 0.6580(6) 0.2530(4) 0.024(2) Uani 1 1 d . . .
H21A H -0.1625 0.6855 0.2817 0.028 Uiso 1 1 calc R . .
H21B H -0.1052 0.6949 0.2310 0.028 Uiso 1 1 calc R . .
C22 C -0.2382(9) 0.6229(7) 0.2260(4) 0.030(3) Uani 1 1 d . . .
H22A H -0.2683 0.5838 0.2464 0.046 Uiso 1 1 calc GR . .
H22B H -0.2165 0.6012 0.1951 0.046 Uiso 1 1 calc GR . .
H22C H -0.2935 0.6613 0.2194 0.046 Uiso 1 1 calc GR . .
C23 C -0.0001(9) 0.5388(7) 0.2198(4) 0.030(3) Uani 1 1 d . . .
H23A H 0.0563 0.5014 0.2291 0.036 Uiso 1 1 calc R . .
H23B H -0.0667 0.5115 0.2086 0.036 Uiso 1 1 calc R . .
C24 C 0.0397(10) 0.5849(8) 0.1773(4) 0.036(3) Uani 1 1 d . . .
H24A H 0.1057 0.6122 0.1879 0.054 Uiso 1 1 calc GR . .
H24B H -0.0171 0.6203 0.1665 0.054 Uiso 1 1 calc GR . .
H24C H 0.0562 0.5517 0.1502 0.054 Uiso 1 1 calc GR . .
C25 C 0.4685(8) 0.7561(5) 0.2025(4) 0.019(2) Uani 1 1 d . . .
C26 C 0.4964(10) 0.7548(7) 0.1498(4) 0.032(3) Uani 1 1 d . . .
H26A H 0.4886 0.8050 0.1360 0.048 Uiso 1 1 calc GR . .
H26B H 0.4470 0.7207 0.1317 0.048 Uiso 1 1 calc GR . .
H26C H 0.5717 0.7378 0.1471 0.048 Uiso 1 1 calc GR . .
C27 C 0.0926(8) 0.9681(5) 0.3329(4) 0.019(2) Uani 1 1 d . . .
C28 C 0.0070(9) 1.0248(6) 0.3207(5) 0.029(3) Uani 1 1 d . . .
H28A H -0.0151 1.0489 0.3507 0.044 Uiso 1 1 calc GR . .
H28B H -0.0562 1.0005 0.3045 0.044 Uiso 1 1 calc GR . .
H28C H 0.0362 1.0624 0.2989 0.044 Uiso 1 1 calc GR . .
F5 F 0.2421(5) 0.6443(4) 0.7133(3) 0.0442(19) Uani 1 1 d . . .
F6 F 0.2584(8) 0.5707(5) 0.7816(3) 0.067(3) Uani 1 1 d . . .
F7 F 0.2308(8) 0.6924(5) 0.7923(3) 0.061(2) Uani 1 1 d . . .
F8 F 0.3901(6) 0.6544(4) 0.7646(3) 0.0453(19) Uani 1 1 d . . .
B2 B 0.2864(13) 0.6342(10) 0.7603(7) 0.053(5) Uani 1 1 d . . .
F1 F 0.2196(6) 0.2296(5) 0.4375(3) 0.048(2) Uani 1 1 d . . .
F2 F 0.2143(6) 0.1473(4) 0.3735(3) 0.0426(18) Uani 1 1 d . . .
F3 F 0.3409(12) 0.1346(7) 0.4341(4) 0.116(5) Uani 1 1 d . . .
F4 F 0.3454(10) 0.2298(7) 0.3838(5) 0.108(4) Uani 1 1 d . . .
B1 B 0.2771(10) 0.1807(7) 0.4107(5) 0.029(3) Uani 1 1 d . . .
Cl1 Cl 0.3626(3) 0.7263(2) 0.63211(12) 0.0456(8) Uani 1 1 d . . .
Cl2 Cl 0.3040(3) 0.8582(2) 0.57508(14) 0.0557(9) Uani 1 1 d . . .
C29 C 0.4001(12) 0.7855(8) 0.5837(5) 0.047(3) Uani 1 1 d . . .
H29A H 0.4732 0.8069 0.5914 0.057 Uiso 1 1 calc R . .
H29B H 0.4038 0.7562 0.5533 0.057 Uiso 1 1 calc R . .
Cl3 Cl 0.0698(5) 0.9765(3) 0.5408(2) 0.109(2) Uani 1 1 d . . .
C30 C 0.065(3) 0.9958(18) 0.4732(13) 0.067(10) Uani 0.5 1 d . . P
H30A H 0.1164 1.0359 0.4654 0.080 Uiso 0.5 1 calc R . P
H30B H 0.0830 0.9506 0.4548 0.080 Uiso 0.5 1 calc R . P
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Re1 0.01629(17) 0.00717(17) 0.00900(17) -0.00043(13) 0.00254(13) -0.00123(14)
Re2 0.01676(17) 0.00713(17) 0.00900(17) 0.00024(13) 0.00013(13) -0.00234(14)
Re3 0.01397(17) 0.00619(16) 0.00725(16) 0.00052(13) 0.00051(13) -0.00081(13)
Re4 0.01348(17) 0.00637(16) 0.01008(17) 0.00028(13) 0.00054(13) -0.00049(13)
Re5 0.01587(17) 0.00712(17) 0.00777(16) 0.00158(13) 0.00102(13) -0.00165(13)
Re6 0.01766(18) 0.00573(16) 0.01296(18) 0.00058(13) 0.00045(14) -0.00031(14)
Se1 0.0242(5) 0.0079(4) 0.0145(5) -0.0025(3) 0.0030(4) -0.0012(4)
Se2 0.0181(4) 0.0107(4) 0.0093(4) 0.0005(3) -0.0008(3) -0.0021(4)
Se3 0.0145(4) 0.0129(4) 0.0126(4) 0.0002(3) 0.0005(3) -0.0021(4)
Se4 0.0216(5) 0.0082(4) 0.0137(4) 0.0025(3) 0.0004(4) -0.0039(4)
Se5 0.0159(4) 0.0116(4) 0.0179(5) -0.0020(4) 0.0016(4) 0.0012(4)
Se6 0.0162(4) 0.0084(4) 0.0110(4) 0.0006(3) 0.0017(3) -0.0019(3)
Se7 0.0155(4) 0.0085(4) 0.0090(4) -0.0006(3) 0.0009(3) -0.0005(3)
Se8 0.0194(4) 0.0086(4) 0.0142(4) 0.0032(3) -0.0024(3) 0.0000(4)
P1 0.0214(12) 0.0168(12) 0.0117(12) -0.0027(10) 0.0050(9) -0.0034(10)
P2 0.0264(13) 0.0156(13) 0.0171(13) 0.0011(10) -0.0048(10) -0.0076(11)
P3 0.0181(12) 0.0106(11) 0.0129(12) 0.0010(9) 0.0008(9) 0.0019(9)
P4 0.0160(11) 0.0101(11) 0.0172(12) 0.0003(9) -0.0017(9) -0.0012(9)
N1 0.027(4) 0.012(4) 0.013(4) 0.005(3) 0.003(3) -0.004(3)
N2 0.028(5) 0.029(5) 0.015(4) -0.002(4) 0.004(4) -0.006(4)
N3 0.020(4) 0.011(4) 0.026(5) 0.001(3) -0.009(3) 0.001(3)
N4 0.032(5) 0.007(4) 0.038(5) -0.005(4) -0.005(4) 0.004(4)
C1 0.022(5) 0.026(6) 0.019(5) -0.009(4) 0.009(4) -0.005(4)
C2 0.033(6) 0.030(6) 0.030(6) -0.006(5) 0.017(5) -0.005(5)
C3 0.024(5) 0.029(6) 0.023(6) -0.008(5) 0.003(4) -0.003(5)
C4 0.039(7) 0.028(6) 0.030(6) -0.007(5) 0.013(5) 0.003(5)
C5 0.034(6) 0.037(7) 0.010(5) -0.001(4) -0.004(4) 0.001(5)
C6 0.040(7) 0.034(7) 0.019(6) 0.011(5) -0.001(5) 0.004(5)
C7 0.044(7) 0.028(6) 0.045(8) -0.021(6) -0.024(6) 0.009(6)
C8 0.077(11) 0.033(8) 0.098(14) -0.011(9) -0.059(10) 0.012(8)
C9 0.058(8) 0.075(11) 0.027(7) 0.015(7) -0.010(6) -0.044(8)
C10 0.079(10) 0.119(15) 0.039(8) 0.038(9) -0.018(7) -0.075(11)
C11 0.021(5) 0.020(5) 0.046(7) -0.003(5) -0.004(5) -0.004(4)
C12 0.049(9) 0.124(15) 0.138(16) -0.103(15) -0.064(10) 0.057(10)
C13 0.033(6) 0.015(5) 0.019(5) 0.010(4) 0.002(4) -0.001(4)
C14 0.049(7) 0.021(6) 0.022(6) 0.007(5) -0.004(5) 0.002(5)
C15 0.022(5) 0.028(6) 0.045(7) 0.012(5) 0.009(5) 0.010(5)
C16 0.055(9) 0.049(9) 0.050(9) -0.008(7) 0.017(7) -0.007(7)
C17 0.049(7) 0.009(5) 0.017(5) -0.001(4) -0.007(5) 0.007(5)
C18 0.053(8) 0.019(6) 0.051(8) -0.020(6) -0.018(6) 0.000(6)
C19 0.032(6) 0.019(5) 0.022(5) 0.009(4) -0.008(4) -0.014(5)
C20 0.027(6) 0.075(10) 0.022(6) 0.005(6) 0.002(5) -0.020(6)
C21 0.022(5) 0.015(5) 0.033(6) 0.005(4) -0.006(4) 0.004(4)
C22 0.023(5) 0.032(6) 0.035(7) 0.008(5) -0.005(5) -0.004(5)
C23 0.024(6) 0.030(6) 0.035(7) -0.018(5) -0.005(5) 0.002(5)
C24 0.037(6) 0.054(8) 0.017(6) -0.010(5) 0.002(5) 0.017(6)
C25 0.028(5) 0.011(5) 0.018(5) 0.004(4) 0.008(4) -0.001(4)
C26 0.040(7) 0.039(7) 0.018(6) -0.002(5) 0.013(5) -0.013(6)
C27 0.027(5) 0.013(5) 0.018(5) 0.000(4) 0.006(4) 0.003(4)
C28 0.026(6) 0.017(5) 0.045(7) -0.001(5) -0.001(5) 0.002(4)
F5 0.031(4) 0.048(5) 0.052(5) -0.009(4) -0.010(3) 0.012(3)
F6 0.097(7) 0.052(5) 0.053(5) -0.014(4) 0.027(5) -0.033(5)
F7 0.073(6) 0.054(5) 0.057(6) -0.017(4) 0.002(5) 0.001(5)
F8 0.039(4) 0.036(4) 0.060(5) 0.000(4) -0.015(4) -0.007(3)
B2 0.038(8) 0.055(11) 0.064(11) 0.044(9) -0.018(8) -0.017(8)
F1 0.050(4) 0.056(5) 0.039(4) -0.015(4) 0.009(3) 0.012(4)
F2 0.059(5) 0.024(4) 0.043(4) -0.006(3) -0.021(4) 0.002(3)
F3 0.191(13) 0.093(8) 0.057(6) -0.036(6) -0.077(8) 0.088(9)
F4 0.104(9) 0.086(9) 0.137(11) -0.043(8) 0.049(8) -0.024(7)
B1 0.026(6) 0.027(7) 0.032(7) -0.021(6) -0.012(5) 0.011(5)
Cl1 0.059(2) 0.0442(19) 0.0334(17) -0.0077(14) -0.0014(15) -0.0050(16)
Cl2 0.064(2) 0.058(2) 0.045(2) 0.0016(18) -0.0026(17) 0.0068(19)
C29 0.058(9) 0.050(9) 0.034(7) -0.013(6) 0.006(6) -0.005(7)
Cl3 0.141(5) 0.051(3) 0.129(5) -0.014(3) -0.077(4) 0.009(3)
C30 0.08(2) 0.038(18) 0.09(3) 0.004(17) 0.01(2) 0.010(17)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
Re3 Re1 Re2 59.976(13) .
Re4 Re1 Re2 89.767(15) .
Re4 Re1 Re3 59.867(13) .
Re6 Re1 Re2 60.002(14) .
Re6 Re1 Re3 89.967(15) .
Re6 Re1 Re4 59.848(14) .
Se1 Re1 Re2 58.53(2) .
Se1 Re1 Re3 118.51(3) .
Se1 Re1 Re4 118.81(3) .
Se1 Re1 Re6 58.98(2) .
Se1 Re1 Se2 89.14(3) .
Se1 Re1 Se5 90.69(3) .
Se1 Re1 Se6 176.38(3) .
Se2 Re1 Re2 58.03(2) .
Se2 Re1 Re3 58.53(2) .
Se2 Re1 Re4 118.37(3) .
Se2 Re1 Re6 118.02(3) .
Se5 Re1 Re2 118.40(3) .
Se5 Re1 Re3 117.96(3) .
Se5 Re1 Re4 58.10(2) .
Se5 Re1 Re6 58.42(2) .
Se5 Re1 Se2 175.67(3) .
Se6 Re1 Re2 118.23(3) .
Se6 Re1 Re3 58.27(2) .
Se6 Re1 Re4 58.55(2) .
Se6 Re1 Re6 118.38(3) .
Se6 Re1 Se2 90.21(3) .
Se6 Re1 Se5 89.68(3) .
P1 Re1 Re2 136.29(6) .
P1 Re1 Re3 136.84(6) .
P1 Re1 Re4 133.89(6) .
P1 Re1 Re6 133.16(6) .
P1 Re1 Se1 91.18(6) .
P1 Re1 Se2 94.34(6) .
P1 Re1 Se5 89.99(7) .
P1 Re1 Se6 92.42(6) .
Re3 Re2 Re1 59.994(13) .
Re5 Re2 Re1 89.835(15) .
Re5 Re2 Re3 59.968(13) .
Re5 Re2 Re6 59.898(13) .
Re6 Re2 Re1 59.764(14) .
Re6 Re2 Re3 89.840(15) .
Se1 Re2 Re1 58.01(2) .
Se1 Re2 Re3 118.00(3) .
Se1 Re2 Re5 118.61(3) .
Se1 Re2 Re6 58.73(2) .
Se1 Re2 Se3 175.87(3) .
Se1 Re2 Se4 90.16(3) .
Se2 Re2 Re1 58.52(2) .
Se2 Re2 Re3 58.69(2) .
Se2 Re2 Re5 118.64(3) .
Se2 Re2 Re6 118.28(3) .
Se2 Re2 Se1 89.13(3) .
Se2 Re2 Se3 89.93(3) .
Se2 Re2 Se4 176.31(3) .
Se3 Re2 Re1 118.21(3) .
Se3 Re2 Re3 58.22(2) .
Se3 Re2 Re5 58.55(2) .
Se3 Re2 Re6 118.43(3) .
Se3 Re2 Se4 90.53(3) .
Se4 Re2 Re1 118.17(3) .
Se4 Re2 Re3 118.67(3) .
Se4 Re2 Re5 58.72(2) .
Se4 Re2 Re6 58.41(2) .
P2 Re2 Re1 134.93(6) .
P2 Re2 Re3 133.21(6) .
P2 Re2 Re5 135.18(6) .
P2 Re2 Re6 136.95(6) .
P2 Re2 Se1 93.19(7) .
P2 Re2 Se2 90.41(6) .
P2 Re2 Se3 90.84(7) .
P2 Re2 Se4 93.24(6) .
Re2 Re3 Re1 60.030(13) .
Re4 Re3 Re1 59.965(13) .
Re4 Re3 Re2 89.855(15) .
Re4 Re3 Re5 59.737(13) .
Re5 Re3 Re1 89.798(15) .
Re5 Re3 Re2 59.867(13) .
Se2 Re3 Re1 58.32(2) .
Se2 Re3 Re2 57.98(2) .
Se2 Re3 Re4 118.25(3) .
Se2 Re3 Re5 117.83(3) .
Se3 Re3 Re1 118.50(3) .
Se3 Re3 Re2 58.48(2) .
Se3 Re3 Re4 118.32(3) .
Se3 Re3 Re5 58.59(2) .
Se3 Re3 Se2 89.65(3) .
Se3 Re3 Se7 89.88(3) .
Se6 Re3 Re1 58.21(2) .
Se6 Re3 Re2 118.23(3) .
Se6 Re3 Re4 58.57(2) .
Se6 Re3 Re5 118.28(3) .
Se6 Re3 Se2 90.04(3) .
Se6 Re3 Se3 176.08(3) .
Se6 Re3 Se7 90.14(3) .
Se7 Re3 Re1 118.42(3) .
Se7 Re3 Re2 118.37(2) .
Se7 Re3 Re4 58.46(2) .
Se7 Re3 Re5 58.51(2) .
Se7 Re3 Se2 175.75(3) .
P3 Re3 Re1 133.47(6) .
P3 Re3 Re2 137.21(6) .
P3 Re3 Re4 132.90(6) .
P3 Re3 Re5 136.64(6) .
P3 Re3 Se2 92.83(6) .
P3 Re3 Se3 94.49(6) .
P3 Re3 Se6 89.43(6) .
P3 Re3 Se7 91.42(6) .
Re3 Re4 Re1 60.168(13) .
Re5 Re4 Re1 90.167(15) .
Re5 Re4 Re3 60.175(13) .
Re5 Re4 Re6 60.128(13) .
Re6 Re4 Re1 59.960(13) .
Re6 Re4 Re3 90.205(15) .
Se5 Re4 Re1 58.60(2) .
Se5 Re4 Re3 118.76(3) .
Se5 Re4 Re5 118.74(3) .
Se5 Re4 Re6 58.62(2) .
Se5 Re4 Se6 89.77(3) .
Se5 Re4 Se7 176.64(3) .
Se5 Re4 Se8 89.90(3) .
Se6 Re4 Re1 58.19(2) .
Se6 Re4 Re3 58.27(2) .
Se6 Re4 Re5 118.42(3) .
Se6 Re4 Re6 118.14(3) .
Se7 Re4 Re1 118.55(3) .
Se7 Re4 Re3 58.39(2) .
Se7 Re4 Re5 58.64(2) .
Se7 Re4 Re6 118.75(2) .
Se7 Re4 Se6 89.91(3) .
Se8 Re4 Re1 118.54(3) .
Se8 Re4 Re3 118.73(3) .
Se8 Re4 Re5 58.57(2) .
Se8 Re4 Re6 58.59(2) .
Se8 Re4 Se6 176.14(3) .
Se8 Re4 Se7 90.20(3) .
P4 Re4 Re1 135.12(6) .
P4 Re4 Re3 137.01(6) .
P4 Re4 Re5 134.63(6) .
P4 Re4 Re6 132.79(6) .
P4 Re4 Se5 90.24(6) .
P4 Re4 Se6 93.81(6) .
P4 Re4 Se7 93.12(6) .
P4 Re4 Se8 90.03(6) .
Re2 Re5 Re3 60.164(13) .
Re4 Re5 Re2 90.230(15) .
Re4 Re5 Re3 60.088(13) .
Re4 Re5 Re6 59.989(13) .
Re6 Re5 Re2 60.111(14) .
Re6 Re5 Re3 90.075(15) .
Se3 Re5 Re2 58.48(2) .
Se3 Re5 Re3 58.27(2) .
Se3 Re5 Re4 118.35(3) .
Se3 Re5 Re6 118.57(3) .
Se3 Re5 Se4 90.37(3) .
Se4 Re5 Re2 58.54(2) .
Se4 Re5 Re3 118.69(3) .
Se4 Re5 Re4 118.41(3) .
Se4 Re5 Re6 58.42(2) .
Se7 Re5 Re2 118.48(2) .
Se7 Re5 Re3 58.33(2) .
Se7 Re5 Re4 58.53(2) .
Se7 Re5 Re6 118.50(2) .
Se7 Re5 Se3 89.58(3) .
Se7 Re5 Se4 176.29(3) .
Se8 Re5 Re2 118.62(3) .
Se8 Re5 Re3 118.58(3) .
Se8 Re5 Re4 58.50(2) .
Se8 Re5 Re6 58.52(2) .
Se8 Re5 Se3 176.29(3) .
Se8 Re5 Se4 89.72(3) .
Se8 Re5 Se7 90.09(3) .
N1 Re5 Re2 136.7(2) .
N1 Re5 Re3 134.8(2) .
N1 Re5 Re4 133.1(2) .
N1 Re5 Re6 135.0(2) .
N1 Re5 Se3 93.2(2) .
N1 Re5 Se4 93.2(2) .
N1 Re5 Se7 90.6(2) .
N1 Re5 Se8 90.5(2) .
Re1 Re6 Re2 60.234(13) .
Re1 Re6 Re5 90.160(16) .
Re4 Re6 Re1 60.192(14) .
Re4 Re6 Re2 90.099(15) .
Re4 Re6 Re5 59.883(13) .
Re5 Re6 Re2 59.990(14) .
Se1 Re6 Re1 58.05(2) .
Se1 Re6 Re2 58.33(2) .
Se1 Re6 Re4 118.22(3) .
Se1 Re6 Re5 118.29(3) .
Se4 Re6 Re1 118.85(3) .
Se4 Re6 Re2 58.62(2) .
Se4 Re6 Re4 118.70(3) .
Se4 Re6 Re5 58.82(2) .
Se4 Re6 Se1 90.04(3) .
Se5 Re6 Re1 58.57(2) .
Se5 Re6 Re2 118.78(3) .
Se5 Re6 Re4 58.27(2) .
Se5 Re6 Re5 118.15(3) .
Se5 Re6 Se1 90.21(3) .
Se5 Re6 Se4 176.53(3) .
Se5 Re6 Se8 89.59(3) .
Se8 Re6 Re1 118.62(3) .
Se8 Re6 Re2 118.42(3) .
Se8 Re6 Re4 58.44(2) .
Se8 Re6 Re5 58.43(2) .
Se8 Re6 Se1 175.95(3) .
Se8 Re6 Se4 89.91(3) .
N3 Re6 Re1 134.0(2) .
N3 Re6 Re2 137.4(2) .
N3 Re6 Re4 132.5(2) .
N3 Re6 Re5 135.8(2) .
N3 Re6 Se1 93.4(2) .
N3 Re6 Se4 93.9(2) .
N3 Re6 Se5 89.6(2) .
N3 Re6 Se8 90.7(2) .
Re1 Se1 Re2 63.46(2) .
Re1 Se1 Re6 62.97(2) .
Re2 Se1 Re6 62.94(2) .
Re1 Se2 Re3 63.15(2) .
Re2 Se2 Re1 63.45(2) .
Re2 Se2 Re3 63.32(2) .
Re2 Se3 Re5 62.97(2) .
Re3 Se3 Re2 63.30(2) .
Re3 Se3 Re5 63.13(2) .
Re2 Se4 Re5 62.74(2) .
Re6 Se4 Re2 62.97(2) .
Re6 Se4 Re5 62.75(2) .
Re4 Se5 Re1 63.30(2) .
Re4 Se5 Re6 63.11(2) .
Re6 Se5 Re1 63.00(2) .
Re1 Se6 Re3 63.52(2) .
Re1 Se6 Re4 63.26(2) .
Re3 Se6 Re4 63.17(2) .
Re3 Se7 Re4 63.15(2) .
Re3 Se7 Re5 63.17(2) .
Re4 Se7 Re5 62.83(2) .
Re4 Se8 Re5 62.93(2) .
Re4 Se8 Re6 62.98(2) .
Re5 Se8 Re6 63.05(2) .
C1 P1 Re1 113.1(3) .
C1 P1 C3 104.8(5) .
C1 P1 C5 104.2(5) .
C3 P1 Re1 117.1(4) .
C5 P1 Re1 115.3(4) .
C5 P1 C3 100.8(5) .
C7 P2 Re2 113.8(4) .
C7 P2 C11 100.1(5) .
C9 P2 Re2 113.1(4) .
C9 P2 C7 106.4(7) .
C9 P2 C11 105.8(6) .
C11 P2 Re2 116.4(4) .
C13 P3 Re3 111.8(3) .
C13 P3 C17 104.8(5) .
C15 P3 Re3 115.3(4) .
C15 P3 C13 104.0(5) .
C15 P3 C17 102.2(6) .
C17 P3 Re3 117.3(3) .
C19 P4 Re4 116.0(3) .
C21 P4 Re4 112.6(3) .
C21 P4 C19 106.1(5) .
C23 P4 Re4 115.8(4) .
C23 P4 C19 99.8(5) .
C23 P4 C21 105.0(5) .
Re5 N1 H1 122(6) .
C25 N1 Re5 132.7(7) .
C25 N1 H1 105(6) .
H2A N2 H2B 100(10) .
C25 N2 H2A 121(9) .
C25 N2 H2B 138(9) .
Re6 N3 H3 110(8) .
C27 N3 Re6 135.3(7) .
C27 N3 H3 114(8) .
H4A N4 H4B 129(10) .
C27 N4 H4A 115(8) .
C27 N4 H4B 114(9) .
P1 C1 H1A 108.2 .
P1 C1 H1B 108.2 .
H1A C1 H1B 107.3 .
C2 C1 P1 116.4(7) .
C2 C1 H1A 108.2 .
C2 C1 H1B 108.2 .
C1 C2 H2C 109.5 .
C1 C2 H2D 109.5 .
C1 C2 H2E 109.5 .
H2C C2 H2D 109.5 .
H2C C2 H2E 109.5 .
H2D C2 H2E 109.5 .
P1 C3 H3A 108.4 .
P1 C3 H3B 108.4 .
H3A C3 H3B 107.5 .
C4 C3 P1 115.5(7) .
C4 C3 H3A 108.4 .
C4 C3 H3B 108.4 .
C3 C4 H4C 109.5 .
C3 C4 H4D 109.5 .
C3 C4 H4E 109.5 .
H4C C4 H4D 109.5 .
H4C C4 H4E 109.5 .
H4D C4 H4E 109.5 .
P1 C5 H5A 108.7 .
P1 C5 H5B 108.7 .
H5A C5 H5B 107.6 .
C6 C5 P1 114.4(7) .
C6 C5 H5A 108.7 .
C6 C5 H5B 108.7 .
C5 C6 H6A 109.5 .
C5 C6 H6B 109.5 .
C5 C6 H6C 109.5 .
H6A C6 H6B 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
P2 C7 H7A 108.5 .
P2 C7 H7B 108.5 .
H7A C7 H7B 107.5 .
C8 C7 P2 115.0(11) .
C8 C7 H7A 108.5 .
C8 C7 H7B 108.5 .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8B 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
P2 C9 H9A 108.7 .
P2 C9 H9B 108.7 .
H9A C9 H9B 107.6 .
C10 C9 P2 114.2(9) .
C10 C9 H9A 108.7 .
C10 C9 H9B 108.7 .
C9 C10 H10A 109.5 .
C9 C10 H10B 109.5 .
C9 C10 H10C 109.5 .
H10A C10 H10B 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
P2 C11 H11A 107.6 .
P2 C11 H11B 107.6 .
H11A C11 H11B 107.0 .
C12 C11 P2 118.9(11) .
C12 C11 H11A 107.6 .
C12 C11 H11B 107.6 .
C11 C12 H12A 109.5 .
C11 C12 H12B 109.5 .
C11 C12 H12C 109.5 .
H12A C12 H12B 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
P3 C13 H13A 108.0 .
P3 C13 H13B 108.0 .
H13A C13 H13B 107.3 .
C14 C13 P3 117.1(8) .
C14 C13 H13A 108.0 .
C14 C13 H13B 108.0 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14B 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
P3 C15 H15A 109.8 .
P3 C15 H15B 109.8 .
H15A C15 H15B 108.3 .
C16 C15 P3 109.2(9) .
C16 C15 H15A 109.8 .
C16 C15 H15B 109.8 .
C15 C16 H16A 109.5 .
C15 C16 H16B 109.5 .
C15 C16 H16C 109.5 .
H16A C16 H16B 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
P3 C17 H17A 108.3 .
P3 C17 H17B 108.3 .
H17A C17 H17B 107.4 .
C18 C17 P3 115.9(8) .
C18 C17 H17A 108.3 .
C18 C17 H17B 108.3 .
C17 C18 H18A 109.5 .
C17 C18 H18B 109.5 .
C17 C18 H18C 109.5 .
H18A C18 H18B 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
P4 C19 H19A 108.9 .
P4 C19 H19B 108.9 .
H19A C19 H19B 107.7 .
C20 C19 P4 113.4(8) .
C20 C19 H19A 108.9 .
C20 C19 H19B 108.9 .
C19 C20 H20A 109.5 .
C19 C20 H20B 109.5 .
C19 C20 H20C 109.5 .
H20A C20 H20B 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
P4 C21 H21A 108.3 .
P4 C21 H21B 108.3 .
H21A C21 H21B 107.4 .
C22 C21 P4 115.9(8) .
C22 C21 H21A 108.3 .
C22 C21 H21B 108.3 .
C21 C22 H22A 109.5 .
C21 C22 H22B 109.5 .
C21 C22 H22C 109.5 .
H22A C22 H22B 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
P4 C23 H23A 108.7 .
P4 C23 H23B 108.7 .
H23A C23 H23B 107.6 .
C24 C23 P4 114.4(8) .
C24 C23 H23A 108.7 .
C24 C23 H23B 108.7 .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24B 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
N1 C25 N2 123.4(9) .
N1 C25 C26 120.8(9) .
N2 C25 C26 115.9(9) .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26B 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
N3 C27 N4 120.6(9) .
N3 C27 C28 121.7(9) .
N4 C27 C28 117.7(9) .
C27 C28 H28A 109.5 .
C27 C28 H28B 109.5 .
C27 C28 H28C 109.5 .
H28A C28 H28B 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
F5 B2 F7 105.9(11) .
F6 B2 F5 114.9(14) .
F6 B2 F7 101.6(13) .
F8 B2 F5 112.4(13) .
F8 B2 F6 117.5(13) .
F8 B2 F7 102.3(13) .
F1 B1 F2 113.0(10) .
F1 B1 F4 102.1(10) .
F2 B1 F4 101.9(11) .
F3 B1 F1 117.5(12) .
F3 B1 F2 113.2(11) .
F3 B1 F4 107.1(13) .
Cl1 C29 H29A 109.6 .
Cl1 C29 H29B 109.6 .
Cl2 C29 Cl1 110.3(8) .
Cl2 C29 H29A 109.6 .
Cl2 C29 H29B 109.6 .
H29A C29 H29B 108.1 .
C30 Cl3 C30 75.0(18) 3_576
Cl3 C30 Cl3 105.0(18) 3_576
Cl3 C30 H30A 110.8 3_576
Cl3 C30 H30A 110.8 .
Cl3 C30 H30B 110.8 .
Cl3 C30 H30B 110.8 3_576
H30A C30 H30B 108.8 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 Re2 2.6488(5) .
Re1 Re3 2.6479(5) .
Re1 Re4 2.6425(5) .
Re1 Re6 2.6363(5) .
Re1 Se1 2.5112(10) .
Re1 Se2 2.5255(10) .
Re1 Se5 2.5247(10) .
Re1 Se6 2.5147(9) .
Re1 P1 2.472(2) .
Re2 Re3 2.6474(5) .
Re2 Re5 2.6395(5) .
Re2 Re6 2.6427(5) .
Re2 Se1 2.5255(10) .
Re2 Se2 2.5121(10) .
Re2 Se3 2.5261(10) .
Re2 Se4 2.5327(10) .
Re2 P2 2.490(3) .
Re3 Re4 2.6399(5) .
Re3 Re5 2.6422(5) .
Re3 Se2 2.5313(9) .
Re3 Se3 2.5192(9) .
Re3 Se6 2.5162(9) .
Re3 Se7 2.5199(9) .
Re3 P3 2.477(2) .
Re4 Re5 2.6305(5) .
Re4 Re6 2.6333(5) .
Re4 Se5 2.5113(10) .
Re4 Se6 2.5242(9) .
Re4 Se7 2.5218(9) .
Re4 Se8 2.5189(10) .
Re4 P4 2.479(2) .
Re5 Re6 2.6370(5) .
Re5 Se3 2.5279(10) .
Re5 Se4 2.5376(10) .
Re5 Se7 2.5249(9) .
Re5 Se8 2.5205(10) .
Re5 N1 2.145(8) .
Re6 Se1 2.5365(10) .
Re6 Se4 2.5270(10) .
Re6 Se5 2.5206(10) .
Re6 Se8 2.5228(10) .
Re6 N3 2.131(8) .
P1 C1 1.816(10) .
P1 C3 1.836(11) .
P1 C5 1.835(10) .
P2 C7 1.827(12) .
P2 C9 1.823(13) .
P2 C11 1.829(11) .
P3 C13 1.821(10) .
P3 C15 1.819(11) .
P3 C17 1.833(10) .
P4 C19 1.833(10) .
P4 C21 1.827(10) .
P4 C23 1.827(11) .
N1 H1 0.98(11) .
N1 C25 1.303(12) .
N2 H2A 0.83(2) .
N2 H2B 0.82(2) .
N2 C25 1.306(14) .
N3 H3 0.83(2) .
N3 C27 1.319(13) .
N4 H4A 0.83(2) .
N4 H4B 0.83(2) .
N4 C27 1.319(14) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C1 C2 1.549(14) .
C2 H2C 0.9800 .
C2 H2D 0.9800 .
C2 H2E 0.9800 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C3 C4 1.539(16) .
C4 H4C 0.9800 .
C4 H4D 0.9800 .
C4 H4E 0.9800 .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C5 C6 1.516(16) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 C8 1.537(18) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.559(18) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C11 C12 1.506(18) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C13 C14 1.527(14) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C15 C16 1.602(18) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C17 C18 1.516(17) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C19 C20 1.544(16) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C21 C22 1.548(14) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C23 C24 1.529(17) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.504(13) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.491(14) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
F5 B2 1.391(18) .
F6 B2 1.334(17) .
F7 B2 1.54(2) .
F8 B2 1.324(16) .
F1 B1 1.364(14) .
F2 B1 1.388(13) .
F3 B1 1.291(15) .
F4 B1 1.442(19) .
Cl1 C29 1.778(15) .
Cl2 C29 1.770(15) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
Cl3 C30 1.75(3) 3_576
Cl3 C30 1.89(4) .
C30 Cl3 1.75(3) 3_576
C30 H30A 0.9900 .
C30 H30B 0.9900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A F5 0.83(2) 2.02(3) 2.836(11) 167(12) 4_675
N3 H3 F8 0.83(2) 2.08(3) 2.892(11) 168(11) 4_575
N4 H4A F2 0.83(2) 2.05(3) 2.871(11) 174(12) 1_565
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Re1 P1 C1 C2 179.8(7) . .
Re1 P1 C3 C4 61.3(9) . .
Re1 P1 C5 C6 -69.1(9) . .
Re2 P2 C7 C8 -76.1(12) . .
Re2 P2 C9 C10 -178.7(12) . .
Re2 P2 C11 C12 62.9(13) . .
Re3 P3 C13 C14 176.6(7) . .
Re3 P3 C15 C16 -78.2(9) . .
Re3 P3 C17 C18 -61.9(9) . .
Re4 P4 C19 C20 66.6(8) . .
Re4 P4 C21 C22 179.3(7) . .
Re4 P4 C23 C24 -65.0(9) . .
Re5 N1 C25 N2 -0.8(16) . .
Re5 N1 C25 C26 -179.1(8) . .
Re6 N3 C27 N4 5.1(16) . .
Re6 N3 C27 C28 -175.5(8) . .
C1 P1 C3 C4 -64.9(9) . .
C1 P1 C5 C6 55.4(9) . .
C3 P1 C1 C2 -51.5(10) . .
C3 P1 C5 C6 163.8(8) . .
C5 P1 C1 C2 54.0(10) . .
C5 P1 C3 C4 -172.9(8) . .
C7 P2 C9 C10 55.7(15) . .
C7 P2 C11 C12 -174.0(13) . .
C9 P2 C7 C8 49.1(12) . .
C9 P2 C11 C12 -63.6(14) . .
C11 P2 C7 C8 159.0(11) . .
C11 P2 C9 C10 -50.2(15) . .
C13 P3 C15 C16 159.0(9) . .
C13 P3 C17 C18 62.7(9) . .
C15 P3 C13 C14 -58.3(10) . .
C15 P3 C17 C18 171.0(9) . .
C17 P3 C13 C14 48.6(10) . .
C17 P3 C15 C16 50.2(9) . .
C19 P4 C21 C22 -52.8(10) . .
C19 P4 C23 C24 169.7(8) . .
C21 P4 C19 C20 -59.3(9) . .
C21 P4 C23 C24 60.0(9) . .
C23 P4 C19 C20 -168.2(8) . .
C23 P4 C21 C22 52.4(10) . .
C30 Cl3 C30 Cl3 0.001(1) 3_576 3_576