#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/99/4319962.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_4319962
loop_
_publ_author_name
' Glen G. Briand '
' Michael W. Cooke '
' T. Stanley Cameron '
' Heather M. Farrell '
' Tara J. Burchell '
'Manuel A. S. Aquino'
_publ_contact_author_address
;
    Department of Chemistry
    St. Francis Xavier University
    P.O. Box 5000
    Antigonish, Nova Scotia
    B2G 2W5, Canada
;
_publ_contact_author_email       ' maquino@stfx.ca '
_publ_contact_author_fax         ' 902-867-2414 '
_publ_contact_author_name        ' Manuel A.S. Aquino'
_publ_contact_author_phone       '902-867-5336 '
_publ_section_title
;
 An Axial Phosphine Diadduct of Diruthenium(II,III) Tetraacetate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3267
_journal_page_last               3268
_journal_paper_doi               10.1021/ic015519q
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C45 H80 Cl2 F6 O8 P3 Ru2'
_chemical_formula_weight         1229.08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2000-01-26
_audit_creation_method           'by teXsan for Windows v1.06'
_audit_update_record
;
?
;
_cell_angle_alpha                111.10(2)
_cell_angle_beta                 108.77(3)
_cell_angle_gamma                77.29(2)
_cell_formula_units_Z            1
_cell_length_a                   11.616(3)
_cell_length_b                   12.793(2)
_cell_length_c                   10.536(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      14.7
_cell_measurement_theta_min      10.6
_cell_volume                     1373.4(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       'Rigaku AFC7S'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.06331
_diffrn_orient_matrix_UB_12      0.04824
_diffrn_orient_matrix_UB_13      0.01523
_diffrn_orient_matrix_UB_21      -0.06524
_diffrn_orient_matrix_UB_22      0.06485
_diffrn_orient_matrix_UB_23      -0.00723
_diffrn_orient_matrix_UB_31      0.01094
_diffrn_orient_matrix_UB_32      0.02421
_diffrn_orient_matrix_UB_33      0.10420
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00000
_diffrn_reflns_av_sigmaI/netI    0.081
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6616
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         2.68
_diffrn_standards_decay_%        -0.34
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.801
_exptl_absorpt_correction_T_max  0.080
_exptl_absorpt_correction_T_min  0.051
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            orange/brown
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             635.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.88
_refine_ls_extinction_coef       0.000000001
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   3.316
_refine_ls_goodness_of_fit_ref   3.320
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    6
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.0400
_refine_ls_shift/su_mean         0.0041
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     unit
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0520
_refine_ls_wR_factor_ref         0.0520
_reflns_number_gt                3271
_reflns_number_total             6215
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            ic015519q.cif
_cod_data_source_block           '_abt(master)mo'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1373.4(9)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C45 H80 Cl2 F6 O8 P3 Ru2 '
_cod_database_code               4319962
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Ru1 0.58946(2) 0.43592(2) 0.47419(3) 0.03837(7) 1.000 . Uani d ?
Cl1 0.1968(6) 0.2104(5) 0.2872(7) 0.135(1) 0.500 S Uani d ?
Cl2 0.223(1) -0.0268(8) 0.334(1) 0.340(4) 0.500 S Uani d ?
P1 0.71776(7) 0.29697(7) 0.34567(9) 0.0360(2) 1.000 . Uani d ?
P2 1.1760(3) 0.0346(3) 0.2347(3) 0.0800(9) 0.500 S Uani d ?
F1 1.0959(7) 0.105(1) 0.326(1) 0.269(4) 0.500 S Uani d ?
F2 1.2464(7) -0.0281(8) 0.1261(8) 0.167(3) 0.500 S Uani d ?
F3 1.2613(6) -0.0230(9) 0.3461(8) 0.126(3) 0.500 S Uani d ?
F4 1.1057(8) 0.0916(7) 0.124(1) 0.160(4) 0.500 S Uani d ?
F5 1.2717(7) 0.1190(8) 0.289(1) 0.213(4) 0.500 S Uani d ?
F6 1.0833(7) -0.0424(9) 0.1625(9) 0.175(4) 0.500 S Uani d ?
O1 0.5541(2) 0.3347(2) 0.5649(2) 0.0475(7) 1.000 . Uani d ?
O2 0.3842(2) 0.4467(2) 0.6033(2) 0.0466(7) 1.000 . Uani d ?
O3 0.4551(2) 0.3701(2) 0.2884(2) 0.0485(7) 1.000 . Uani d ?
O4 0.2944(2) 0.4909(2) 0.3395(2) 0.0490(6) 1.000 . Uani d ?
C1 0.4573(3) 0.3585(3) 0.6041(3) 0.046(1) 1.000 . Uani d ?
C2 0.4268(4) 0.2744(3) 0.6527(5) 0.073(1) 1.000 . Uani d ?
C3 0.3442(3) 0.4073(3) 0.2601(4) 0.048(1) 1.000 . Uani d ?
C4 0.2643(4) 0.3484(4) 0.1192(5) 0.086(1) 1.000 . Uani d ?
C5 0.6685(3) 0.1542(2) 0.2548(3) 0.0413(9) 1.000 . Uani d ?
C6 0.7751(3) 0.0600(3) 0.2305(4) 0.049(1) 1.000 . Uani d ?
C7 0.7299(3) -0.0548(3) 0.1421(4) 0.056(1) 1.000 . Uani d ?
C8 0.6510(4) -0.0866(3) 0.2075(4) 0.065(1) 1.000 . Uani d ?
C9 0.5449(3) 0.0056(3) 0.2313(4) 0.063(1) 1.000 . Uani d ?
C10 0.5867(3) 0.1211(3) 0.3189(4) 0.054(1) 1.000 . Uani d ?
C11 0.8706(3) 0.2794(3) 0.4677(3) 0.0407(9) 1.000 . Uani d ?
C12 0.9406(3) 0.3825(3) 0.5230(4) 0.049(1) 1.000 . Uani d ?
C13 1.0674(3) 0.3576(3) 0.6164(4) 0.061(1) 1.000 . Uani d ?
C14 1.0617(4) 0.3250(4) 0.7384(4) 0.068(1) 1.000 . Uani d ?
C15 0.9909(3) 0.2246(3) 0.6839(4) 0.060(1) 1.000 . Uani d ?
C16 0.8636(3) 0.2458(3) 0.5904(4) 0.049(1) 1.000 . Uani d ?
C17 0.7437(3) 0.3445(3) 0.2108(3) 0.0425(9) 1.000 . Uani d ?
C18 0.6301(3) 0.3598(3) 0.0958(4) 0.055(1) 1.000 . Uani d ?
C19 0.6550(4) 0.4198(3) 0.0057(4) 0.070(1) 1.000 . Uani d ?
C20 0.7616(4) 0.3533(4) -0.0575(4) 0.076(1) 1.000 . Uani d ?
C21 0.8747(4) 0.3330(3) 0.0560(4) 0.067(1) 1.000 . Uani d ?
C22 0.8482(3) 0.2753(3) 0.1459(4) 0.054(1) 1.000 . Uani d ?
C23 0.1423(6) 0.0562(5) 0.2016(7) 0.246(7) 0.500 S Uani d ?
H1 0.4386 0.3026 0.7520 0.087 1.000 . Uiso c ?
H2 0.3437 0.2612 0.6076 0.087 1.000 . Uiso c ?
H3 0.4785 0.2055 0.6292 0.087 1.000 . Uiso c ?
H4 0.2116 0.3079 0.1318 0.103 1.000 . Uiso c ?
H5 0.2166 0.4027 0.0750 0.103 1.000 . Uiso c ?
H6 0.3140 0.2975 0.0616 0.103 1.000 . Uiso c ?
H7 0.6199 0.1550 0.1633 0.050 1.000 . Uiso c ?
H8 0.8208 0.0785 0.1829 0.058 1.000 . Uiso c ?
H9 0.8263 0.0552 0.3195 0.058 1.000 . Uiso c ?
H10 0.6836 -0.0518 0.0506 0.067 1.000 . Uiso c ?
H11 0.7987 -0.1106 0.1343 0.067 1.000 . Uiso c ?
H12 0.6197 -0.1554 0.1465 0.078 1.000 . Uiso c ?
H13 0.6988 -0.0961 0.2956 0.078 1.000 . Uiso c ?
H14 0.4936 0.0096 0.1420 0.076 1.000 . Uiso c ?
H15 0.4996 -0.0138 0.2787 0.076 1.000 . Uiso c ?
H16 0.6312 0.1194 0.4114 0.065 1.000 . Uiso c ?
H17 0.5167 0.1757 0.3238 0.065 1.000 . Uiso c ?
H18 0.9174 0.2185 0.4155 0.049 1.000 . Uiso c ?
H19 0.9487 0.3991 0.4456 0.058 1.000 . Uiso c ?
H20 0.8968 0.4455 0.5765 0.058 1.000 . Uiso c ?
H21 1.1120 0.2972 0.5606 0.073 1.000 . Uiso c ?
H22 1.1085 0.4230 0.6528 0.073 1.000 . Uiso c ?
H23 1.1425 0.3061 0.7902 0.082 1.000 . Uiso c ?
H24 1.0221 0.3868 0.7983 0.082 1.000 . Uiso c ?
H25 1.0348 0.1614 0.6308 0.072 1.000 . Uiso c ?
H26 0.9834 0.2086 0.7621 0.072 1.000 . Uiso c ?
H27 0.8171 0.3049 0.6450 0.059 1.000 . Uiso c ?
H28 0.8248 0.1789 0.5537 0.059 1.000 . Uiso c ?
H29 0.7684 0.4177 0.2600 0.051 1.000 . Uiso c ?
H30 0.6054 0.2879 0.0370 0.066 1.000 . Uiso c ?
H31 0.5665 0.4038 0.1375 0.066 1.000 . Uiso c ?
H32 0.5834 0.4254 -0.0685 0.085 1.000 . Uiso c ?
H33 0.6752 0.4933 0.0634 0.085 1.000 . Uiso c ?
H34 0.7380 0.2826 -0.1222 0.092 1.000 . Uiso c ?
H35 0.7799 0.3948 -0.1059 0.092 1.000 . Uiso c ?
H36 0.9364 0.2866 0.0126 0.080 1.000 . Uiso c ?
H37 0.9030 0.4036 0.1151 0.080 1.000 . Uiso c ?
H38 0.9197 0.2681 0.2195 0.064 1.000 . Uiso c ?
H39 0.8255 0.2024 0.0884 0.064 1.000 . Uiso c ?
H40 0.0555 0.0617 0.1840 0.298 0.500 S Uiso d ?
H41 0.1636 0.0184 0.1149 0.298 0.500 S Uiso d ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H 0 80 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O 0 8 0.008 0.006
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
F 0 6 0.014 0.010
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
P 0 3 0.090 0.095
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Cl 0 2 0.132 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru 0 2 -1.420 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
C 0 45 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
? ? ?
? ? ?
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
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
RU1 RU1 P1 160.40(5) 2_666 2_666 2_666 ?
RU1 RU1 O1 88.9(1) 2_666 2_666 2_666 ?
RU1 RU1 O2 85.5(1) 2_666 2_666 2_666 ?
RU1 RU1 O3 79.7(1) 2_666 2_666 2_666 ?
RU1 RU1 O4 94.8(1) 2_666 2_666 2_666 ?
P1 RU1 O1 96.3(1) . . . ?
P1 RU1 O2 90.0(1) . . . ?
P1 RU1 O3 81.3(1) . . . ?
P1 RU1 O4 104.2(1) . . . ?
O1 RU1 O2 173.7(2) . . . ?
O1 RU1 O3 90.2(2) . . . ?
O1 RU1 O4 88.9(2) . . . ?
O2 RU1 O3 91.6(2) 2_666 2_666 2_666 ?
O2 RU1 O4 88.6(2) 2_666 2_666 2_666 ?
O3 RU1 O4 174.5(2) . . . ?
P2 CL1 F4 46.5(5) 1_455 1_455 1_455 ?
P2 CL1 F5 50.2(7) 1_455 1_455 1_455 ?
P2 CL1 C23 14.9(3) 1_455 1_455 1_455 ?
F4 CL1 F5 86.7(8) 1_455 1_455 1_455 ?
F4 CL1 C23 32.4(6) 1_455 1_455 1_455 ?
F5 CL1 C23 63.4(8) 1_455 1_455 1_455 ?
P2 CL2 F1 53.6(7) 1_455 1_455 1_455 ?
P2 CL2 F3 100(2) 1_455 1_455 1_455 ?
P2 CL2 F6 51.1(5) 1_455 1_455 1_455 ?
P2 CL2 C23 8.6(6) 1_455 1_455 1_455 ?
F1 CL2 F3 129(2) 1_455 1_455 1_455 ?
F1 CL2 F6 67.7(7) 1_455 1_455 1_455 ?
F1 CL2 C23 47.3(8) 1_455 1_455 1_455 ?
F3 CL2 F6 134(1) 1_455 1_455 1_455 ?
F3 CL2 C23 108(2) 1_455 1_455 1_455 ?
F6 CL2 C23 46.0(7) 1_455 1_455 1_455 ?
RU1 P1 C5 117.4(2) . . . ?
RU1 P1 C11 108.7(2) . . . ?
RU1 P1 C17 110.9(2) . . . ?
C5 P1 C11 106.4(3) . . . ?
C5 P1 C17 107.1(3) . . . ?
C11 P1 C17 105.4(3) . . . ?
CL1 P2 CL2 127.9(4) 1_655 1_655 1_655 ?
CL1 P2 F1 72(1) 1_655 1_655 1_655 ?
CL1 P2 F2 103.3(8) 1_655 1_655 1_655 ?
CL1 P2 F3 118.8(8) 1_655 1_655 1_655 ?
CL1 P2 F4 58.7(7) 1_655 1_655 1_655 ?
CL1 P2 F5 39.2(7) 1_655 1_655 1_655 ?
CL1 P2 F6 136.7(8) 1_655 1_655 1_655 ?
CL1 P2 C23 61(1) 1_655 1_655 1_655 ?
CL1 P2 H40 84.4 1_655 1_655 1_655 no
CL1 P2 H41 88.0 1_655 1_655 1_655 no
CL2 P2 F1 79(1) 1_655 1_655 1_655 ?
CL2 P2 F2 108.8(8) 1_655 1_655 1_655 ?
CL2 P2 F3 22.8(6) 1_655 1_655 1_655 ?
CL2 P2 F4 163.2(8) 1_655 1_655 1_655 ?
CL2 P2 F5 106(1) 1_655 1_655 1_655 ?
CL2 P2 F6 83.0(8) 1_655 1_655 1_655 ?
CL2 P2 C23 150(2) 1_655 1_655 1_655 ?
CL2 P2 H40 114.9 1_655 1_655 1_655 no
CL2 P2 H41 142.0 1_655 1_655 1_655 no
F1 P2 F2 172(1) . . . ?
F1 P2 F3 95(1) . . . ?
F1 P2 F4 90(1) . . . ?
F1 P2 F5 96(1) . . . ?
F1 P2 F6 88(1) . . . ?
F1 P2 C23 77(2) . . . ?
F1 P2 H40 57.0 . . . no
F1 P2 H41 129.8 . . . no
F2 P2 F3 93.8(9) . . . ?
F2 P2 F4 81.7(9) . . . ?
F2 P2 F5 83.6(9) . . . ?
F2 P2 F6 90.8(9) . . . ?
F2 P2 C23 95(2) . . . ?
F2 P2 H40 116.0 . . . no
F2 P2 H41 42.0 . . . no
F3 P2 F4 173.9(9) . . . ?
F3 P2 F5 87(1) . . . ?
F3 P2 F6 100(1) . . . ?
F3 P2 C23 171(2) . . . ?
F3 P2 H40 137.7 . . . no
F3 P2 H41 134.6 . . . no
F4 P2 F5 88(1) . . . ?
F4 P2 F6 84(1) . . . ?
F4 P2 C23 14(2) . . . ?
F4 P2 H40 48.4 . . . no
F4 P2 H41 42.2 . . . no
F5 P2 F6 171(1) . . . ?
F5 P2 C23 96(2) . . . ?
F5 P2 H40 123.5 . . . no
F5 P2 H41 95.5 . . . no
F6 P2 C23 77(2) . . . ?
F6 P2 H40 53.1 . . . no
F6 P2 H41 75.6 . . . no
C23 P2 H40 34.9 1_655 1_655 1_655 no
C23 P2 H41 53.4 1_655 1_655 1_655 no
H40 P2 H41 75.9 1_655 1_655 1_655 no
CL2 F1 P2 47.0(5) 1_655 1_655 1_655 ?
CL2 F1 C23 67.0(7) 1_655 1_655 1_655 ?
P2 F1 C23 21.0(5) . . . ?
P2 F2 C23 19.0(5) . . . ?
P2 F2 H41 50.7 . . . no
C23 F2 H41 32.2 1_655 1_655 1_655 no
CL2 F3 P2 57(1) 1_655 1_655 1_655 ?
CL1 F4 P2 74.8(8) 1_655 1_655 1_655 ?
CL1 F4 C23 76(1) 1_655 1_655 1_655 ?
CL1 F4 H40 100.2 1_655 1_655 1_655 no
CL1 F4 H41 106.6 1_655 1_655 1_655 no
P2 F4 C23 7.5(9) . . . ?
P2 F4 H40 58.1 . . . no
P2 F4 H41 50.3 . . . no
C23 F4 H40 50.9 1_655 1_655 1_655 no
C23 F4 H41 56.0 1_655 1_655 1_655 no
H40 F4 H41 89.2 1_655 1_655 1_655 no
CL1 F5 P2 90.6(9) 1_655 1_655 1_655 ?
CL1 F5 C23 74.2(9) 1_655 1_655 1_655 ?
P2 F5 C23 18.3(5) . . . ?
CL2 F6 P2 45.9(5) 1_655 1_655 1_655 ?
CL2 F6 C23 65.8(7) 1_655 1_655 1_655 ?
P2 F6 C23 21.3(5) . . . ?
RU1 O1 C1 119.0(4) . . . ?
RU1 O2 C1 121.4(4) 2_666 2_666 2_666 ?
RU1 O3 C3 126.4(4) . . . ?
RU1 O4 C3 113.9(4) 2_666 2_666 2_666 ?
O1 C1 O2 124.9(6) . . . ?
O1 C1 C2 117.3(6) . . . ?
O2 C1 C2 117.9(6) . . . ?
C1 C2 H1 109.5 . . . no
C1 C2 H2 109.5 . . . no
C1 C2 H3 109.5 . . . no
H1 C2 H2 109.4 . . . no
H1 C2 H3 109.4 . . . no
H2 C2 H3 109.4 . . . no
O3 C3 O4 125.2(6) . . . ?
O3 C3 C4 117.5(6) . . . ?
O4 C3 C4 117.3(6) . . . ?
C3 C4 H4 109.5 . . . no
C3 C4 H5 109.4 . . . no
C3 C4 H6 109.5 . . . no
H4 C4 H5 109.5 . . . no
H4 C4 H6 109.6 . . . no
H5 C4 H6 109.4 . . . no
P1 C5 C6 113.6(4) . . . ?
P1 C5 C10 115.9(4) . . . ?
P1 C5 H7 105.5 . . . no
C6 C5 C10 109.8(5) . . . ?
C6 C5 H7 105.5 . . . no
C10 C5 H7 105.5 . . . no
C5 C6 C7 112.1(5) . . . ?
C5 C6 H8 108.8 . . . no
C5 C6 H9 108.8 . . . no
C7 C6 H8 108.9 . . . no
C7 C6 H9 108.8 . . . no
H8 C6 H9 109.4 . . . no
C6 C7 C8 111.7(6) . . . ?
C6 C7 H10 108.9 . . . no
C6 C7 H11 109.0 . . . no
C8 C7 H10 108.9 . . . no
C8 C7 H11 108.9 . . . no
H10 C7 H11 109.4 . . . no
C7 C8 C9 110.1(6) . . . ?
C7 C8 H12 109.3 . . . no
C7 C8 H13 109.3 . . . no
C9 C8 H12 109.4 . . . no
C9 C8 H13 109.3 . . . no
H12 C8 H13 109.4 . . . no
C8 C9 C10 112.9(6) . . . ?
C8 C9 H14 108.5 . . . no
C8 C9 H15 108.6 . . . no
C10 C9 H14 108.6 . . . no
C10 C9 H15 108.7 . . . no
H14 C9 H15 109.4 . . . no
C5 C10 C9 111.7(6) . . . ?
C5 C10 H16 108.9 . . . no
C5 C10 H17 108.9 . . . no
C9 C10 H16 108.9 . . . no
C9 C10 H17 108.9 . . . no
H16 C10 H17 109.4 . . . no
P1 C11 C12 113.7(4) . . . ?
P1 C11 C16 111.7(4) . . . ?
P1 C11 H18 106.8 . . . no
C12 C11 C16 110.6(5) . . . ?
C12 C11 H18 106.8 . . . no
C16 C11 H18 106.8 . . . no
C11 C12 C13 109.7(5) . . . ?
C11 C12 H19 109.4 . . . no
C11 C12 H20 109.4 . . . no
C13 C12 H19 109.5 . . . no
C13 C12 H20 109.4 . . . no
H19 C12 H20 109.4 . . . no
C12 C13 C14 112.4(6) . . . ?
C12 C13 H21 108.7 . . . no
C12 C13 H22 108.8 . . . no
C14 C13 H21 108.8 . . . no
C14 C13 H22 108.8 . . . no
H21 C13 H22 109.4 . . . no
C13 C14 C15 110.0(6) . . . ?
C13 C14 H23 109.4 . . . no
C13 C14 H24 109.3 . . . no
C15 C14 H23 109.3 . . . no
C15 C14 H24 109.3 . . . no
H23 C14 H24 109.4 . . . no
C14 C15 C16 112.2(6) . . . ?
C14 C15 H25 108.8 . . . no
C14 C15 H26 108.8 . . . no
C16 C15 H25 108.7 . . . no
C16 C15 H26 108.8 . . . no
H25 C15 H26 109.4 . . . no
C11 C16 C15 110.7(5) . . . ?
C11 C16 H27 109.2 . . . no
C11 C16 H28 109.2 . . . no
C15 C16 H27 109.1 . . . no
C15 C16 H28 109.2 . . . no
H27 C16 H28 109.4 . . . no
P1 C17 C18 114.4(4) . . . ?
P1 C17 C22 115.4(4) . . . ?
P1 C17 H29 105.3 . . . no
C18 C17 C22 110.0(5) . . . ?
C18 C17 H29 105.3 . . . no
C22 C17 H29 105.3 . . . no
C17 C18 C19 110.7(6) . . . ?
C17 C18 H30 109.1 . . . no
C17 C18 H31 109.2 . . . no
C19 C18 H30 109.2 . . . no
C19 C18 H31 109.3 . . . no
H30 C18 H31 109.4 . . . no
C18 C19 C20 110.5(6) . . . ?
C18 C19 H32 109.1 . . . no
C18 C19 H33 109.2 . . . no
C20 C19 H32 109.3 . . . no
C20 C19 H33 109.3 . . . no
H32 C19 H33 109.4 . . . no
C19 C20 C21 111.3(6) . . . ?
C19 C20 H34 109.0 . . . no
C19 C20 H35 109.1 . . . no
C21 C20 H34 108.9 . . . no
C21 C20 H35 109.1 . . . no
H34 C20 H35 109.3 . . . no
C20 C21 C22 111.6(6) . . . ?
C20 C21 H36 109.0 . . . no
C20 C21 H37 108.9 . . . no
C22 C21 H36 109.0 . . . no
C22 C21 H37 109.0 . . . no
H36 C21 H37 109.4 . . . no
C17 C22 C21 110.6(5) . . . ?
C17 C22 H38 109.2 . . . no
C17 C22 H39 109.2 . . . no
C21 C22 H38 109.2 . . . no
C21 C22 H39 109.2 . . . no
H38 C22 H39 109.4 . . . no
CL1 C23 CL2 112.73(3) . . . ?
CL1 C23 P2 104(1) . . . ?
CL1 C23 F1 79(1) . . . ?
CL1 C23 F2 107.0(7) . . . ?
CL1 C23 F4 72(1) . . . ?
CL1 C23 F5 42.4(7) . . . ?
CL1 C23 F6 166.7(8) . . . ?
CL1 C23 H40 108.7 . . . no
CL1 C23 H41 107.7 . . . no
CL2 C23 P2 22(2) . . . ?
CL2 C23 F1 66(1) . . . ?
CL2 C23 F2 83.9(8) . . . ?
CL2 C23 F4 175(1) . . . ?
CL2 C23 F5 82(1) . . . ?
CL2 C23 F6 68.2(8) . . . ?
CL2 C23 H40 104.8 . . . no
CL2 C23 H41 114.0 . . . no
P2 C23 F1 82(2) 1_455 1_455 1_455 ?
P2 C23 F2 66(2) 1_455 1_455 1_455 ?
P2 C23 F4 158(3) 1_455 1_455 1_455 ?
P2 C23 F5 66(2) 1_455 1_455 1_455 ?
P2 C23 F6 81(2) 1_455 1_455 1_455 ?
P2 C23 H40 126.4 1_455 1_455 1_455 no
P2 C23 H41 99.9 1_455 1_455 1_455 no
F1 C23 F2 148(1) 1_455 1_455 1_455 ?
F1 C23 F4 117(2) 1_455 1_455 1_455 ?
F1 C23 F5 91(1) 1_455 1_455 1_455 ?
F1 C23 F6 90(2) 1_455 1_455 1_455 ?
F1 C23 H40 64.4 1_455 1_455 1_455 no
F1 C23 H41 172.1 1_455 1_455 1_455 no
F2 C23 F4 94(2) 1_455 1_455 1_455 ?
F2 C23 F5 75.5(9) 1_455 1_455 1_455 ?
F2 C23 F6 86(1) 1_455 1_455 1_455 ?
F2 C23 H40 136.0 1_455 1_455 1_455 no
F2 C23 H41 34.4 1_455 1_455 1_455 no
F4 C23 F5 102(2) 1_455 1_455 1_455 ?
F4 C23 F6 108(1) 1_455 1_455 1_455 ?
F4 C23 H40 74.1 1_455 1_455 1_455 no
F4 C23 H41 62.6 1_455 1_455 1_455 no
F5 C23 F6 147(1) 1_455 1_455 1_455 ?
F5 C23 H40 147.8 1_455 1_455 1_455 no
F5 C23 H41 96.3 1_455 1_455 1_455 no
F6 C23 H40 59.3 1_455 1_455 1_455 no
F6 C23 H41 83.0 1_455 1_455 1_455 no
H40 C23 H41 108.8 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
RU1 RU1 2.427(1) . . ?
RU1 P1 2.369(2) . . ?
RU1 O1 2.034(4) . . ?
RU1 O2 2.064(4) . . ?
RU1 O3 2.098(4) . . ?
RU1 O4 2.019(4) . . ?
CL1 P2 2.018(6) . . ?
CL1 F4 1.79(2) . . ?
CL1 F5 1.28(2) . . ?
CL1 C23 1.8206(5) . . ?
CL2 P2 1.339(6) . . ?
CL2 F1 1.80(2) . . ?
CL2 F3 0.62(1) . . ?
CL2 F6 1.85(2) . . ?
CL2 C23 1.8198(7) . . ?
P1 C5 1.851(6) . . ?
P1 C11 1.849(6) . . ?
P1 C17 1.859(6) . . ?
P2 F1 1.48(1) . . ?
P2 F2 1.51(1) . . ?
P2 F3 1.57(2) . . ?
P2 F4 1.52(2) . . ?
P2 F5 1.55(2) . . ?
P2 F6 1.45(1) . . ?
P2 C23 0.53(1) . . ?
P2 H40 1.34 . . no
P2 H41 1.17 . . no
F1 C23 1.45(2) . . ?
F2 C23 1.64(2) . . ?
F2 H41 1.01 . . no
F4 C23 1.01(2) . . ?
F4 H40 1.18 . . no
F4 H41 1.02 . . no
F5 C23 1.69(2) . . ?
F6 C23 1.43(2) . . ?
O1 C1 1.258(7) . . ?
O2 C1 1.255(7) . . ?
O3 C3 1.249(7) . . ?
O4 C3 1.254(7) . . ?
C1 C2 1.494(9) . . ?
C2 H1 0.95 . . no
C2 H2 0.95 . . no
C2 H3 0.95 . . no
C3 C4 1.500(9) . . ?
C4 H4 0.95 . . no
C4 H5 0.95 . . no
C4 H6 0.95 . . no
C5 C6 1.541(8) . . ?
C5 C10 1.529(9) . . ?
C5 H7 0.95 . . no
C6 C7 1.530(9) . . ?
C6 H8 0.95 . . no
C6 H9 0.95 . . no
C7 C8 1.50(1) . . ?
C7 H10 0.95 . . no
C7 H11 0.95 . . no
C8 C9 1.52(1) . . ?
C8 H12 0.95 . . no
C8 H13 0.95 . . no
C9 C10 1.522(9) . . ?
C9 H14 0.95 . . no
C9 H15 0.95 . . no
C10 H16 0.95 . . no
C10 H17 0.95 . . no
C11 C12 1.534(8) . . ?
C11 C16 1.532(8) . . ?
C11 H18 0.95 . . no
C12 C13 1.525(9) . . ?
C12 H19 0.95 . . no
C12 H20 0.95 . . no
C13 C14 1.51(1) . . ?
C13 H21 0.95 . . no
C13 H22 0.95 . . no
C14 C15 1.51(1) . . ?
C14 H23 0.95 . . no
C14 H24 0.95 . . no
C15 C16 1.520(8) . . ?
C15 H25 0.95 . . no
C15 H26 0.95 . . no
C16 H27 0.95 . . no
C16 H28 0.95 . . no
C17 C18 1.509(8) . . ?
C17 C22 1.533(8) . . ?
C17 H29 0.95 . . no
C18 C19 1.54(1) . . ?
C18 H30 0.95 . . no
C18 H31 0.95 . . no
C19 C20 1.54(1) . . ?
C19 H32 0.95 . . no
C19 H33 0.95 . . no
C20 C21 1.51(1) . . ?
C20 H34 0.95 . . no
C20 H35 0.95 . . no
C21 C22 1.527(9) . . ?
C21 H36 0.95 . . no
C21 H37 0.95 . . no
C22 H38 0.95 . . no
C22 H39 0.95 . . no
C23 H40 0.96 . . no
C23 H41 0.95 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
P2 C23 0.53(1) . 1_655 no
F1 C23 1.45(2) . 1_655 no
F1 C11 3.41(1) . . no
F2 C23 1.64(2) . 1_655 no
F2 C9 3.36(1) . 1_655 no
F2 C7 3.46(2) . 2_755 no
F2 C22 3.52(2) . 2_755 no
F2 C6 3.56(2) . 2_755 no
F3 C23 2.10(2) . 1_655 no
F4 C23 1.01(2) . 1_655 no
F4 F6 3.05(2) . 2_755 no
F4 C22 3.39(2) . . no
F4 F4 3.51(3) . 2_755 no
F5 C23 1.69(2) . 1_655 no
F5 C9 3.33(2) . 1_655 no
F5 C10 3.57(2) . 1_655 no
F6 C23 1.43(2) . 1_655 no
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
RU1 RU1 P1 C5 . . . . 61.6(3) no
RU1 RU1 P1 C11 . . . . -177.5(2) no
RU1 RU1 P1 C17 . . . . -62.0(3) no
RU1 RU1 O1 C1 . . . . -5.8(4) no
RU1 RU1 O2 C1 . . . . 1.3(4) no
RU1 RU1 O3 C3 . . . . -0.8(5) no
RU1 RU1 O4 C3 . . . . 0.9(4) no
RU1 P1 C5 C6 . . . . -155.0(4) no
RU1 P1 C5 C10 . . . . -26.5(5) no
RU1 P1 C11 C12 . . . . -67.9(4) no
RU1 P1 C11 C16 . . . . 58.1(4) no
RU1 P1 C17 C18 . . . . -64.8(5) no
RU1 P1 C17 C22 . . . . 166.1(4) no
RU1 O1 C1 O2 . . . . -6.7(8) no
RU1 O1 C1 C2 . . . . 172.2(5) no
RU1 O2 C1 O1 . . . . -3.1(8) no
RU1 O2 C1 C2 . . . . 175.8(5) no
RU1 O3 C3 O4 . . . . -0(1) no
RU1 O3 C3 C4 . . . . 178.8(5) no
RU1 O4 C3 O3 . . . . 0.5(8) no
RU1 O4 C3 C4 . . . . 179.7(6) no
CL1 P2 CL2 F1 . . . . 57.2(8) no
CL1 P2 CL2 F3 . . . . -74(2) no
CL1 P2 CL2 F6 . . . . 146.5(8) no
CL1 P2 CL2 C23 . . . . 97(4) no
CL1 P2 C23 CL2 . . . . -116(3) no
CL1 P2 C23 F1 . . . . -77(1) no
CL1 P2 C23 F2 . . . . 102.7(8) no
CL1 P2 C23 F4 . . . . 76(6) no
CL1 P2 C23 F5 . . . . 19(1) no
CL1 P2 C23 F6 . . . . -168(1) no
CL1 F4 C23 CL2 . . . . -167(14) no
CL1 F4 C23 P2 . . . . -83(6) no
CL1 F4 C23 F1 . . . . 67(2) no
CL1 F4 C23 F2 . . . . -106.7(7) no
CL1 F4 C23 F5 . . . . -31(1) no
CL1 F4 C23 F6 . . . . 166.0(8) no
CL1 F5 C23 CL2 . . . . -137(1) no
CL1 F5 C23 P2 . . . . -153(2) no
CL1 F5 C23 F1 . . . . -72(2) no
CL1 F5 C23 F2 . . . . 137(1) no
CL1 F5 C23 F4 . . . . 46(2) no
CL1 F5 C23 F6 . . . . -164(2) no
CL1 C23 CL2 P2 . . . . -70(4) no
CL1 C23 CL2 F1 . . . . 65(1) no
CL1 C23 CL2 F3 . . . . -61(2) no
CL1 C23 CL2 F6 . . . . 165.6(9) no
CL1 C23 P2 CL2 . . . . 116(3) no
CL1 C23 F1 CL2 . . . . -121.3(5) no
CL1 C23 F6 CL2 . . . . -97(4) no
CL2 P2 CL1 F4 . . . . -161.3(9) no
CL2 P2 CL1 F5 . . . . 65(1) no
CL2 P2 CL1 C23 . . . . -145(3) no
CL2 P2 C23 F1 . . . . 40(4) no
CL2 P2 C23 F2 . . . . -141(4) no
CL2 P2 C23 F4 . . . . -167(3) no
CL2 P2 C23 F5 . . . . 135(4) no
CL2 P2 C23 F6 . . . . -51(4) no
CL2 F1 C23 P2 . . . . -15(2) no
CL2 F1 C23 F2 . . . . -17(3) no
CL2 F1 C23 F4 . . . . 176(1) no
CL2 F1 C23 F5 . . . . -80(1) no
CL2 F1 C23 F6 . . . . 66.1(9) no
CL2 F6 C23 P2 . . . . 18(2) no
CL2 F6 C23 F1 . . . . -64(1) no
CL2 F6 C23 F2 . . . . 84.9(8) no
CL2 F6 C23 F4 . . . . 178(1) no
CL2 F6 C23 F5 . . . . 28(3) no
CL2 C23 CL1 P2 . . . . 21(2) no
CL2 C23 CL1 F4 . . . . 179(1) no
CL2 C23 CL1 F5 . . . . 47(1) no
P1 RU1 RU1 P1 . . . . -180.0000 no
P1 RU1 RU1 O1 . . . . -74.3(2) no
P1 RU1 RU1 O2 . . . . 102.8(2) no
P1 RU1 RU1 O3 . . . . -164.7(2) no
P1 RU1 RU1 O4 . . . . 14.6(2) no
P1 RU1 O1 C1 . . . . -155.3(4) no
P1 RU1 O2 C1 . . . . 159.6(4) no
P1 RU1 O3 C3 . . . . -174.0(5) no
P1 RU1 O4 C3 . . . . 174.1(4) no
P1 C5 C6 C7 . . . . -174.1(4) no
P1 C5 C10 C9 . . . . 176.4(4) no
P1 C11 C12 C13 . . . . -177.2(4) no
P1 C11 C16 C15 . . . . 176.4(4) no
P1 C17 C18 C19 . . . . 169.4(4) no
P1 C17 C22 C21 . . . . -170.6(5) no
P2 CL1 F4 C23 . . . . 7.7(9) no
P2 CL1 F5 C23 . . . . 8.3(5) no
P2 CL2 F1 C23 . . . . 7.4(8) no
P2 CL2 F6 C23 . . . . -9.1(8) no
P2 F1 CL2 F3 . . . . 72(2) no
P2 F1 CL2 F6 . . . . -57.3(6) no
P2 F1 C23 F2 . . . . -1(2) no
P2 F1 C23 F4 . . . . -169(3) no
P2 F1 C23 F5 . . . . -65(2) no
P2 F1 C23 F6 . . . . 81(2) no
P2 F2 C23 F1 . . . . 1(2) no
P2 F2 C23 F4 . . . . 170(2) no
P2 F2 C23 F5 . . . . 70(2) no
P2 F2 C23 F6 . . . . -82(2) no
P2 F3 CL2 F1 . . . . -51(1) no
P2 F3 CL2 F6 . . . . 44(2) no
P2 F4 CL1 F5 . . . . 34(1) no
P2 F4 C23 F1 . . . . 150(7) no
P2 F4 C23 F2 . . . . -24(5) no
P2 F4 C23 F5 . . . . 52(5) no
P2 F4 C23 F6 . . . . -111(6) no
P2 F5 CL1 F4 . . . . -32(1) no
P2 F5 C23 F1 . . . . 81(2) no
P2 F5 C23 F2 . . . . -70(2) no
P2 F5 C23 F4 . . . . -161(2) no
P2 F5 C23 F6 . . . . -11(2) no
P2 F6 CL2 F1 . . . . 60(1) no
P2 F6 CL2 F3 . . . . -62(3) no
P2 F6 C23 F1 . . . . -82(2) no
P2 F6 C23 F2 . . . . 67(2) no
P2 F6 C23 F4 . . . . 159(3) no
P2 F6 C23 F5 . . . . 10(2) no
F1 CL2 P2 F2 . . . . -178(1) no
F1 CL2 P2 F3 . . . . 131(2) no
F1 CL2 P2 F4 . . . . -51(3) no
F1 CL2 P2 F5 . . . . 94(1) no
F1 CL2 P2 F6 . . . . -89(1) no
F1 CL2 P2 C23 . . . . -39(4) no
F1 CL2 F6 C23 . . . . 51(1) no
F1 P2 CL1 F4 . . . . -101(1) no
F1 P2 CL1 F5 . . . . 126(2) no
F1 P2 CL2 F3 . . . . -131(2) no
F1 P2 CL2 F6 . . . . 89(1) no
F1 P2 F2 C23 . . . . -5(7) no
F1 P2 F4 C23 . . . . -26(6) no
F1 P2 F5 C23 . . . . -77(2) no
F1 P2 F6 C23 . . . . 77(2) no
F1 P2 C23 F2 . . . . 179(1) no
F1 P2 C23 F4 . . . . 153(6) no
F1 P2 C23 F5 . . . . 95(1) no
F1 P2 C23 F6 . . . . -91(1) no
F1 C23 P2 F2 . . . . -179(1) no
F1 C23 P2 F3 . . . . 15(11) no
F1 C23 P2 F4 . . . . -153(6) no
F1 C23 P2 F5 . . . . -95(1) no
F1 C23 P2 F6 . . . . 91(1) no
F2 P2 CL1 F4 . . . . 71.5(9) no
F2 P2 CL1 F5 . . . . -62(1) no
F2 P2 CL2 F3 . . . . 51(2) no
F2 P2 CL2 F6 . . . . -88.4(9) no
F2 P2 F1 C23 . . . . 5(8) no
F2 P2 F4 C23 . . . . 153(6) no
F2 P2 F5 C23 . . . . 94(2) no
F2 P2 F6 C23 . . . . -95(2) no
F2 P2 C23 F4 . . . . -26(6) no
F2 P2 C23 F5 . . . . -84(1) no
F2 P2 C23 F6 . . . . 90(1) no
F2 C23 P2 F3 . . . . -166(11) no
F2 C23 P2 F4 . . . . 26(6) no
F2 C23 P2 F5 . . . . 84(1) no
F2 C23 P2 F6 . . . . -90(1) no
F3 CL2 P2 F4 . . . . 178(3) no
F3 CL2 P2 F5 . . . . -37(2) no
F3 CL2 P2 F6 . . . . 140(2) no
F3 CL2 P2 C23 . . . . -171(3) no
F3 CL2 F1 C23 . . . . 79(3) no
F3 CL2 F6 C23 . . . . -71(3) no
F3 P2 CL1 F4 . . . . 174(1) no
F3 P2 CL1 F5 . . . . 40(1) no
F3 P2 CL2 F6 . . . . -140(2) no
F3 P2 F1 C23 . . . . -178(2) no
F3 P2 F2 C23 . . . . 178(2) no
F3 P2 F4 C23 . . . . -163(10) no
F3 P2 F5 C23 . . . . -172(2) no
F3 P2 F6 C23 . . . . 171(2) no
F3 P2 C23 F4 . . . . 168(8) no
F3 P2 C23 F5 . . . . 110(11) no
F3 P2 C23 F6 . . . . -76(11) no
F4 CL1 P2 F5 . . . . 133(2) no
F4 CL1 P2 F6 . . . . -34(1) no
F4 CL1 P2 C23 . . . . -16(2) no
F4 CL1 F5 C23 . . . . -24(1) no
F4 P2 CL1 F5 . . . . -133(2) no
F4 P2 CL2 F6 . . . . 39(3) no
F4 P2 F1 C23 . . . . 6(2) no
F4 P2 F2 C23 . . . . -6(2) no
F4 P2 F5 C23 . . . . 12(2) no
F4 P2 F6 C23 . . . . -13(2) no
F4 P2 C23 F5 . . . . -58(6) no
F4 P2 C23 F6 . . . . 116(6) no
F4 C23 P2 F5 . . . . 58(6) no
F4 C23 P2 F6 . . . . -116(6) no
F5 CL1 P2 F6 . . . . -168(2) no
F5 CL1 P2 C23 . . . . -150(2) no
F5 CL1 F4 C23 . . . . 42(2) no
F5 P2 CL2 F6 . . . . -177(1) no
F5 P2 F1 C23 . . . . 95(2) no
F5 P2 F2 C23 . . . . -95(2) no
F5 P2 F4 C23 . . . . -123(6) no
F5 P2 F6 C23 . . . . -43(6) no
F5 P2 C23 F6 . . . . 174(1) no
F5 C23 P2 F6 . . . . -174(1) no
F6 CL2 P2 C23 . . . . 50(4) no
F6 CL2 F1 C23 . . . . -49.9(9) no
F6 P2 F1 C23 . . . . -77(2) no
F6 P2 F2 C23 . . . . 77(2) no
F6 P2 F4 C23 . . . . 62(6) no
F6 P2 F5 C23 . . . . 42(6) no
O1 RU1 RU1 O1 . . . . 180.0000 no
O1 RU1 RU1 O2 . . . . -2.9(2) no
O1 RU1 RU1 O3 . . . . 89.5(2) no
O1 RU1 RU1 O4 . . . . -91.2(2) no
O1 RU1 P1 C5 . . . . 42.9(2) no
O1 RU1 P1 C11 . . . . -78.0(2) no
O1 RU1 P1 C17 . . . . 166.5(2) no
O1 RU1 O2 C1 . . . . -29(2) no
O1 RU1 O3 C3 . . . . 89.7(5) no
O1 RU1 O4 C3 . . . . -89.7(4) no
O2 RU1 RU1 O2 . . . . 180.0000 no
O2 RU1 RU1 O3 . . . . 87.5(2) no
O2 RU1 RU1 O4 . . . . -91.8(2) no
O2 RU1 P1 C5 . . . . 138.1(2) no
O2 RU1 P1 C11 . . . . -101.1(2) no
O2 RU1 P1 C17 . . . . 14.4(2) no
O2 RU1 O1 C1 . . . . -33(2) no
O2 RU1 O3 C3 . . . . 84.3(5) no
O2 RU1 O4 C3 . . . . -84.4(4) no
O3 RU1 RU1 O3 . . . . -180.0000 no
O3 RU1 RU1 O4 . . . . -0.7(2) no
O3 RU1 P1 C5 . . . . -46.4(2) no
O3 RU1 P1 C11 . . . . -167.3(2) no
O3 RU1 P1 C17 . . . . 77.2(2) no
O3 RU1 O1 C1 . . . . -73.9(4) no
O3 RU1 O2 C1 . . . . 78.3(4) no
O3 RU1 O4 C3 . . . . -8(2) no
O4 RU1 RU1 O4 . . . . 180.0000 no
O4 RU1 P1 C5 . . . . -133.4(3) no
O4 RU1 P1 C11 . . . . -12.5(2) no
O4 RU1 P1 C17 . . . . 103.0(2) no
O4 RU1 O1 C1 . . . . -100.6(4) no
O4 RU1 O2 C1 . . . . 96.2(4) no
O4 RU1 O3 C3 . . . . -8(2) no
C5 P1 C11 C12 . . . . 164.7(4) no
C5 P1 C11 C16 . . . . -69.3(5) no
C5 P1 C17 C18 . . . . 64.6(5) no
C5 P1 C17 C22 . . . . -64.6(5) no
C5 C6 C7 C8 . . . . -56.5(7) no
C5 C10 C9 C8 . . . . 55.1(8) no
C6 C5 P1 C11 . . . . -33.0(5) no
C6 C5 P1 C17 . . . . 79.5(5) no
C6 C5 C10 C9 . . . . -53.3(7) no
C6 C7 C8 C9 . . . . 55.4(8) no
C7 C6 C5 C10 . . . . 54.3(7) no
C7 C8 C9 C10 . . . . -55.3(8) no
C10 C5 P1 C11 . . . . 95.5(5) no
C10 C5 P1 C17 . . . . -152.0(4) no
C11 P1 C17 C18 . . . . 177.7(4) no
C11 P1 C17 C22 . . . . 48.5(5) no
C11 C12 C13 C14 . . . . -57.3(7) no
C11 C16 C15 C14 . . . . 55.9(8) no
C12 C11 P1 C17 . . . . 51.1(5) no
C12 C11 C16 C15 . . . . -55.9(7) no
C12 C13 C14 C15 . . . . 56.5(8) no
C13 C12 C11 C16 . . . . 56.2(7) no
C13 C14 C15 C16 . . . . -55.5(8) no
C16 C11 P1 C17 . . . . 177.1(4) no
C17 C18 C19 C20 . . . . 57.1(8) no
C17 C22 C21 C20 . . . . -56.3(8) no
C18 C17 C22 C21 . . . . 58.1(7) no
C18 C19 C20 C21 . . . . -54.7(9) no
C19 C18 C17 C22 . . . . -58.8(7) no
C19 C20 C21 C22 . . . . 54.8(8) no
