#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:55:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179870 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/66/7016619.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_7016619
loop_
_publ_author_name
'Stephenson, Andrew'
'Ward, Michael D.'
_publ_section_title
;
 Molecular squares, cubes and chains from self-assembly of
 bis-bidentate bridging ligands with transition metal dications.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10360
_journal_page_last               10369
_journal_paper_doi               10.1039/c1dt10263j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C266 H222 B16 Cu8 F64 N74 O16'
_chemical_formula_weight         6608.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           81
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4'
_symmetry_space_group_name_H-M   'P -4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.1963(4)
_cell_length_b                   22.1963(4)
_cell_length_c                   40.2890(11)
_cell_measurement_reflns_used    8130
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      19.58
_cell_measurement_theta_min      2.29
_cell_volume                     19849.4(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1011
_diffrn_reflns_av_sigmaI/netI    0.0766
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            226164
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.504
_exptl_absorpt_correction_T_max  0.8844
_exptl_absorpt_correction_T_min  0.8635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6704
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.973
_refine_diff_density_min         -0.387
_refine_diff_density_rms         0.085
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.020(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1480
_refine_ls_number_reflns         33832
_refine_ls_number_restraints     229
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.1099
_refine_ls_R_factor_gt           0.0807
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1427P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2032
_refine_ls_wR_factor_ref         0.2203
_reflns_number_gt                21894
_reflns_number_total             33832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10263j.txt
_cod_data_source_block           imw1430b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P-4 '
_cod_database_code               7016619
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.68754(4) 0.71695(4) 0.11464(2) 0.0568(2) Uani 1 1 d . . .
Cu2 Cu 0.73813(3) 0.28527(3) 0.142125(19) 0.0504(2) Uani 1 1 d . . .
Cu3 Cu 0.76896(3) 0.41032(4) 0.383022(19) 0.0531(2) Uani 1 1 d . . .
Cu4 Cu 0.41117(4) 0.20282(4) 0.35709(2) 0.0546(2) Uani 1 1 d . . .
N11A N 0.62429(17) 0.77426(18) 0.13198(10) 0.0634(16) Uani 1 1 d G . .
C12A C 0.6125(2) 0.83161(19) 0.11974(10) 0.072(2) Uani 1 1 d G . .
H12A H 0.6349 0.8467 0.1014 0.086 Uiso 1 1 calc R . .
C13A C 0.5680(2) 0.86686(16) 0.13425(13) 0.075(2) Uani 1 1 d G . .
H13A H 0.5599 0.9061 0.1259 0.090 Uiso 1 1 calc R . .
C14A C 0.5352(2) 0.8448(2) 0.16101(12) 0.079(2) Uani 1 1 d G . .
H14A H 0.5047 0.8689 0.1709 0.094 Uiso 1 1 calc R . .
C15A C 0.54697(18) 0.7874(2) 0.17326(10) 0.0569(17) Uani 1 1 d G . .
H15A H 0.5246 0.7723 0.1915 0.068 Uiso 1 1 calc R . .
C16A C 0.59151(19) 0.75216(16) 0.15874(10) 0.0514(16) Uani 1 1 d G . .
N21A N 0.66589(19) 0.61166(17) 0.16990(11) 0.0604(15) Uani 1 1 d G . .
N22A N 0.65704(19) 0.66834(19) 0.15430(9) 0.0600(15) Uani 1 1 d G . .
C23A C 0.6070(2) 0.69678(18) 0.16968(11) 0.0649(19) Uani 1 1 d G . .
C24A C 0.58492(19) 0.6577(2) 0.19479(11) 0.0633(18) Uani 1 1 d G . .
H24A H 0.5516 0.6654 0.2090 0.076 Uiso 1 1 calc R . .
C25A C 0.6213(2) 0.6051(2) 0.19492(11) 0.076(2) Uani 1 1 d G . .
H25A H 0.6167 0.5714 0.2092 0.091 Uiso 1 1 calc R . .
C26A C 0.7097(4) 0.5711(4) 0.16092(17) 0.0650(19) Uani 1 1 d . . .
H26A H 0.7201 0.5455 0.1802 0.078 Uiso 1 1 calc R . .
H26B H 0.7465 0.5931 0.1541 0.078 Uiso 1 1 calc R . .
N31A N 0.66968(17) 0.22801(15) 0.13206(9) 0.0516(13) Uani 1 1 d G . .
C32A C 0.65582(18) 0.17970(18) 0.15265(8) 0.0604(18) Uani 1 1 d G . .
H32A H 0.6740 0.1766 0.1739 0.072 Uiso 1 1 calc R . .
C33A C 0.6154(2) 0.13587(16) 0.14209(11) 0.0654(18) Uani 1 1 d G . .
H33A H 0.6059 0.1029 0.1562 0.078 Uiso 1 1 calc R . .
C34A C 0.58885(18) 0.14034(18) 0.11094(12) 0.069(2) Uani 1 1 d G . .
H34A H 0.5612 0.1104 0.1037 0.082 Uiso 1 1 calc R . .
C35A C 0.60271(19) 0.1886(2) 0.09035(9) 0.0606(18) Uani 1 1 d G . .
H35A H 0.5846 0.1917 0.0691 0.073 Uiso 1 1 calc R . .
C36A C 0.64312(19) 0.23248(17) 0.10091(9) 0.0594(18) Uani 1 1 d G . .
N41A N 0.7115(2) 0.36681(17) 0.07036(10) 0.0614(15) Uani 1 1 d G . .
N42A N 0.69935(19) 0.32301(19) 0.09516(8) 0.0600(15) Uani 1 1 d G . .
C43A C 0.6583(2) 0.28046(18) 0.08170(11) 0.0584(17) Uani 1 1 d G . .
C44A C 0.6451(2) 0.2980(2) 0.04858(10) 0.071(2) Uani 1 1 d G . .
H44A H 0.6189 0.2776 0.0337 0.085 Uiso 1 1 calc R . .
C45A C 0.6780(2) 0.3513(2) 0.04158(8) 0.074(2) Uani 1 1 d G . .
H45A H 0.6777 0.3729 0.0212 0.088 Uiso 1 1 calc R . .
C46A C 0.7463(4) 0.4200(3) 0.07790(18) 0.0642(19) Uani 1 1 d . . .
H46A H 0.7632 0.4373 0.0573 0.077 Uiso 1 1 calc R . .
H46B H 0.7801 0.4096 0.0929 0.077 Uiso 1 1 calc R . .
C51A C 0.6893(2) 0.53393(18) 0.13410(10) 0.0620(19) Uani 1 1 d G . .
C52A C 0.63608(17) 0.5281(2) 0.11482(13) 0.0677(19) Uani 1 1 d G . .
H52A H 0.5996 0.5498 0.1181 0.081 Uiso 1 1 calc R . .
C53A C 0.6469(2) 0.4843(2) 0.08986(12) 0.073(2) Uani 1 1 d G . .
H53A H 0.6189 0.4714 0.0735 0.088 Uiso 1 1 calc R . .
C54A C 0.7068(2) 0.46296(19) 0.09371(10) 0.0574(17) Uani 1 1 d G . .
O55A O 0.73303(16) 0.49365(18) 0.12105(10) 0.0672(13) Uani 1 1 d G . .
N11B N 0.74435(17) 0.65613(17) 0.09546(10) 0.0607(15) Uani 1 1 d G . .
C12B C 0.80331(18) 0.6515(2) 0.10679(10) 0.067(2) Uani 1 1 d G . .
H12B H 0.8171 0.6770 0.1241 0.080 Uiso 1 1 calc R . .
C13B C 0.84213(15) 0.6094(2) 0.09275(13) 0.085(3) Uani 1 1 d G . .
H13B H 0.8824 0.6062 0.1005 0.102 Uiso 1 1 calc R . .
C14B C 0.8220(2) 0.5721(2) 0.06737(12) 0.071(2) Uani 1 1 d G . .
H14B H 0.8485 0.5434 0.0578 0.085 Uiso 1 1 calc R . .
C15B C 0.7630(2) 0.5768(2) 0.05603(10) 0.074(2) Uani 1 1 d G . .
H15B H 0.7493 0.5513 0.0387 0.088 Uiso 1 1 calc R . .
C16B C 0.72421(15) 0.6188(2) 0.07007(10) 0.0582(18) Uani 1 1 d G . .
N21B N 0.43002(17) 0.3372(2) 0.06261(12) 0.0660(16) Uani 1 1 d G . .
N22B N 0.3719(2) 0.33378(19) 0.07727(10) 0.0672(16) Uani 1 1 d G . .
C23B C 0.33339(16) 0.3740(2) 0.05993(12) 0.0633(19) Uani 1 1 d G . .
C24B C 0.3677(2) 0.4023(2) 0.03457(11) 0.072(2) Uani 1 1 d G . .
H24B H 0.3532 0.4313 0.0192 0.087 Uiso 1 1 calc R . .
C25B C 0.4274(2) 0.3795(3) 0.03623(12) 0.078(2) Uani 1 1 d G . .
H25B H 0.4599 0.3907 0.0222 0.093 Uiso 1 1 calc R . .
C26B C 0.4771(3) 0.3082(4) 0.0770(2) 0.068(2) Uani 1 1 d . . .
H26C H 0.5071 0.2980 0.0597 0.081 Uiso 1 1 calc R . .
H26D H 0.4625 0.2700 0.0868 0.081 Uiso 1 1 calc R . .
N31B N 0.80680(16) 0.34283(16) 0.15026(10) 0.0573(14) Uani 1 1 d G . .
C32B C 0.86387(18) 0.33836(19) 0.13626(10) 0.0649(19) Uani 1 1 d G . .
H32B H 0.8727 0.3066 0.1212 0.078 Uiso 1 1 calc R . .
C33B C 0.90799(15) 0.3804(2) 0.14427(13) 0.073(2) Uani 1 1 d G . .
H33B H 0.9470 0.3773 0.1347 0.088 Uiso 1 1 calc R . .
C34B C 0.8951(2) 0.4268(2) 0.16627(14) 0.083(3) Uani 1 1 d G . .
H34B H 0.9252 0.4555 0.1717 0.099 Uiso 1 1 calc R . .
C35B C 0.8380(2) 0.43129(17) 0.18027(11) 0.071(2) Uani 1 1 d G . .
H35B H 0.8291 0.4631 0.1953 0.085 Uiso 1 1 calc R . .
C36B C 0.79386(17) 0.38930(19) 0.17226(10) 0.0499(16) Uani 1 1 d G . .
N41B N 0.63971(16) 0.3560(2) 0.18808(11) 0.0620(15) Uani 1 1 d G . .
N42B N 0.69610(19) 0.34588(17) 0.17240(9) 0.0577(14) Uani 1 1 d G . .
C43B C 0.73749(17) 0.3894(2) 0.18456(12) 0.0619(19) Uani 1 1 d G . .
C44B C 0.7067(3) 0.42639(19) 0.20777(11) 0.071(2) Uani 1 1 d G . .
H44B H 0.7235 0.4592 0.2197 0.085 Uiso 1 1 calc R . .
C45B C 0.6463(2) 0.4058(2) 0.20994(11) 0.075(2) Uani 1 1 d G . .
H45B H 0.6156 0.4223 0.2236 0.091 Uiso 1 1 calc R . .
C46B C 0.5880(3) 0.3268(4) 0.17943(19) 0.070(2) Uani 1 1 d . . .
H46C H 0.5597 0.3286 0.1984 0.084 Uiso 1 1 calc R . .
H46D H 0.5976 0.2838 0.1754 0.084 Uiso 1 1 calc R . .
C51B C 0.5061(2) 0.3430(2) 0.10233(10) 0.067(2) Uani 1 1 d G . .
C52B C 0.5159(3) 0.40491(19) 0.10924(14) 0.095(3) Uani 1 1 d G . .
H52B H 0.5030 0.4378 0.0960 0.113 Uiso 1 1 calc R . .
C53B C 0.5485(3) 0.40905(16) 0.13950(14) 0.074(2) Uani 1 1 d G . .
H53B H 0.5611 0.4452 0.1500 0.089 Uiso 1 1 calc R . .
C54B C 0.5588(2) 0.3496(2) 0.15129(9) 0.065(2) Uani 1 1 d G . .
O55B O 0.53257(18) 0.30880(15) 0.12831(10) 0.0666(13) Uani 1 1 d G . .
N11C N 0.7196(2) 0.7782(2) 0.08089(10) 0.0722(18) Uani 1 1 d G . .
C12C C 0.6978(2) 0.7789(2) 0.04855(12) 0.069(2) Uani 1 1 d G . .
H12C H 0.6656 0.7530 0.0424 0.083 Uiso 1 1 calc R . .
C13C C 0.7230(3) 0.8176(3) 0.02524(10) 0.089(3) Uani 1 1 d G . .
H13C H 0.7081 0.8181 0.0031 0.107 Uiso 1 1 calc R . .
C14C C 0.7701(3) 0.8555(2) 0.03426(13) 0.089(3) Uani 1 1 d G . .
H14C H 0.7874 0.8819 0.0183 0.107 Uiso 1 1 calc R . .
C15C C 0.7919(2) 0.8548(2) 0.06660(14) 0.083(2) Uani 1 1 d G . .
H15C H 0.8241 0.8807 0.0728 0.100 Uiso 1 1 calc R . .
C16C C 0.7666(2) 0.8162(2) 0.08992(10) 0.072(2) Uani 1 1 d G . .
N21C N 0.7881(2) 0.7796(3) 0.17506(11) 0.083(2) Uani 1 1 d G . .
N22C N 0.7595(2) 0.7718(2) 0.14384(12) 0.0804(19) Uani 1 1 d G . .
C23C C 0.7845(3) 0.8142(3) 0.12135(11) 0.078(2) Uani 1 1 d G . .
C24C C 0.8286(3) 0.8483(3) 0.13866(16) 0.106(3) Uani 1 1 d G . .
H24C H 0.8524 0.8798 0.1296 0.127 Uiso 1 1 calc R . .
C25C C 0.8309(3) 0.8269(3) 0.17186(14) 0.101(3) Uani 1 1 d G . .
H25C H 0.8564 0.8416 0.1889 0.122 Uiso 1 1 calc R . .
C26C C 0.7705(4) 0.7490(4) 0.2029(2) 0.086(3) Uani 1 1 d . . .
H26E H 0.8065 0.7317 0.2139 0.103 Uiso 1 1 calc R . .
H26F H 0.7439 0.7153 0.1964 0.103 Uiso 1 1 calc R . .
N31C N 0.6001(2) 0.88074(19) 0.38096(13) 0.0712(17) Uani 1 1 d G . .
C32C C 0.6096(3) 0.8856(2) 0.41495(12) 0.081(2) Uani 1 1 d G . .
H32C H 0.6201 0.8510 0.4275 0.097 Uiso 1 1 calc R . .
C33C C 0.6039(3) 0.9412(3) 0.43053(13) 0.122(4) Uani 1 1 d G . .
H33C H 0.6104 0.9445 0.4538 0.146 Uiso 1 1 calc R . .
C34C C 0.5886(4) 0.9919(2) 0.4121(2) 0.177(8) Uani 1 1 d G . .
H34C H 0.5847 1.0299 0.4228 0.212 Uiso 1 1 calc R . .
C35C C 0.5791(3) 0.9870(2) 0.3781(2) 0.114(4) Uani 1 1 d G . .
H35C H 0.5686 1.0217 0.3655 0.137 Uiso 1 1 calc R . .
C36C C 0.5848(3) 0.9315(3) 0.36255(13) 0.093(3) Uani 1 1 d G . .
N41C N 0.5770(3) 0.8742(3) 0.27968(12) 0.092(2) Uani 1 1 d G . .
N42C N 0.5849(3) 0.8676(2) 0.31447(13) 0.0786(19) Uani 1 1 d G . .
C43C C 0.5793(3) 0.9254(3) 0.32924(16) 0.088(3) Uani 1 1 d G . .
C44C C 0.5680(4) 0.9678(2) 0.3036(2) 0.132(5) Uani 1 1 d G . .
H44C H 0.5624 1.0099 0.3064 0.158 Uiso 1 1 calc R . .
C45C C 0.5666(4) 0.9362(3) 0.27295(17) 0.144(5) Uani 1 1 d G . .
H45C H 0.5599 0.9534 0.2517 0.173 Uiso 1 1 calc R . .
C46C C 0.5912(4) 0.8292(5) 0.2568(2) 0.085(3) Uani 1 1 d . . .
H46E H 0.5723 0.8384 0.2351 0.102 Uiso 1 1 calc R . .
H46F H 0.5754 0.7900 0.2646 0.102 Uiso 1 1 calc R . .
C51C C 0.7378(2) 0.7883(3) 0.22722(12) 0.083(3) Uani 1 1 d G . .
C52C C 0.7569(2) 0.8312(3) 0.25113(14) 0.085(3) Uani 1 1 d G . .
H52C H 0.7974 0.8424 0.2556 0.102 Uiso 1 1 calc R . .
C53C C 0.7049(3) 0.8545(3) 0.26715(12) 0.088(3) Uani 1 1 d G . .
H53C H 0.7045 0.8839 0.2842 0.105 Uiso 1 1 calc R . .
C54C C 0.6536(2) 0.8259(3) 0.25316(13) 0.082(3) Uani 1 1 d G . .
O55C O 0.6739(2) 0.7850(2) 0.22848(11) 0.0868(17) Uani 1 1 d G . .
N11D N 0.79188(19) 0.22283(19) 0.11734(11) 0.0620(15) Uani 1 1 d G . .
C12D C 0.8004(2) 0.2254(2) 0.08319(11) 0.069(2) Uani 1 1 d G . .
H12D H 0.7837 0.2578 0.0708 0.083 Uiso 1 1 calc R . .
C13D C 0.8332(3) 0.1807(3) 0.06720(10) 0.092(3) Uani 1 1 d G . .
H13D H 0.8390 0.1825 0.0439 0.110 Uiso 1 1 calc R . .
C14D C 0.8576(3) 0.1334(3) 0.08536(16) 0.148(5) Uani 1 1 d G . .
H14D H 0.8800 0.1028 0.0744 0.178 Uiso 1 1 calc R . .
C15D C 0.8491(3) 0.1307(2) 0.11951(15) 0.109(3) Uani 1 1 d G . .
H15D H 0.8657 0.0984 0.1319 0.130 Uiso 1 1 calc R . .
C16D C 0.8162(2) 0.1755(2) 0.13550(10) 0.068(2) Uani 1 1 d G . .
N21D N 0.7771(2) 0.2141(2) 0.21886(9) 0.0703(17) Uani 1 1 d G . .
N22D N 0.7781(2) 0.22519(17) 0.18415(10) 0.0586(14) Uani 1 1 d G . .
C23D C 0.8070(3) 0.1756(2) 0.16855(10) 0.083(2) Uani 1 1 d G . .
C24D C 0.8238(4) 0.1339(2) 0.19362(15) 0.113(4) Uani 1 1 d G . .
H24D H 0.8439 0.0966 0.1902 0.136 Uiso 1 1 calc R . .
C25D C 0.8053(3) 0.1577(2) 0.22471(11) 0.103(3) Uani 1 1 d G . .
H25D H 0.8109 0.1392 0.2457 0.123 Uiso 1 1 calc R . .
C26D C 0.7582(3) 0.2585(4) 0.24122(18) 0.0647(19) Uani 1 1 d . . .
H26G H 0.7457 0.2399 0.2625 0.078 Uiso 1 1 calc R . .
H26H H 0.7234 0.2809 0.2320 0.078 Uiso 1 1 calc R . .
N31D N 0.8287(2) 0.3772(2) 0.41680(10) 0.0752(19) Uani 1 1 d G . .
C32D C 0.8118(2) 0.3607(3) 0.44875(12) 0.085(3) Uani 1 1 d G . .
H32D H 0.7704 0.3611 0.4549 0.102 Uiso 1 1 calc R . .
C33D C 0.8553(3) 0.3435(4) 0.47168(11) 0.120(4) Uani 1 1 d G . .
H33D H 0.8437 0.3322 0.4935 0.144 Uiso 1 1 calc R . .
C34D C 0.9157(3) 0.3430(4) 0.46268(16) 0.160(6) Uani 1 1 d G . .
H34D H 0.9455 0.3313 0.4784 0.192 Uiso 1 1 calc R . .
C35D C 0.9327(2) 0.3595(4) 0.43074(18) 0.125(4) Uani 1 1 d G . .
H35D H 0.9740 0.3591 0.4246 0.150 Uiso 1 1 calc R . .
C36D C 0.8891(2) 0.3766(3) 0.40780(12) 0.103(4) Uani 1 1 d G . .
N41D N 0.8863(2) 0.4226(3) 0.32328(10) 0.079(2) Uani 1 1 d G . .
N42D N 0.85854(15) 0.4014(2) 0.35281(12) 0.0654(16) Uani 1 1 d G . .
C43D C 0.9044(2) 0.3917(3) 0.37680(11) 0.087(3) Uani 1 1 d G . .
C44D C 0.96052(17) 0.4070(4) 0.36210(16) 0.117(4) Uani 1 1 d GU . .
H44D H 0.9988 0.4048 0.3726 0.141 Uiso 1 1 calc R . .
C45D C 0.9493(2) 0.4260(4) 0.32903(15) 0.129(4) Uani 1 1 d GU . .
H45D H 0.9788 0.4388 0.3135 0.155 Uiso 1 1 calc R . .
C46D C 0.8535(3) 0.4323(3) 0.2935(2) 0.0663(19) Uani 1 1 d . . .
H46G H 0.8716 0.4670 0.2816 0.080 Uiso 1 1 calc R . .
H46H H 0.8117 0.4434 0.2993 0.080 Uiso 1 1 calc R . .
C51D C 0.80828(18) 0.29875(18) 0.24657(11) 0.0586(17) Uani 1 1 d G . .
C52D C 0.8663(2) 0.3067(2) 0.23242(12) 0.071(2) Uani 1 1 d G . .
H52D H 0.8840 0.2822 0.2157 0.085 Uiso 1 1 calc R . .
C53D C 0.89331(16) 0.3578(3) 0.24762(14) 0.080(2) Uani 1 1 d G . .
H53D H 0.9322 0.3734 0.2429 0.096 Uiso 1 1 calc R . .
C54D C 0.85194(19) 0.38132(19) 0.27116(12) 0.068(2) Uani 1 1 d G . .
O55D O 0.79938(14) 0.34486(18) 0.27051(9) 0.0579(11) Uani 1 1 d G . .
N11E N 0.7449(2) 0.32697(16) 0.36736(10) 0.0626(16) Uani 1 1 d G . .
C12E C 0.7659(2) 0.2734(2) 0.38101(11) 0.071(2) Uani 1 1 d G . .
H12E H 0.7895 0.2741 0.4007 0.086 Uiso 1 1 calc R . .
C13E C 0.7523(3) 0.21878(17) 0.36589(15) 0.096(3) Uani 1 1 d G . .
H13E H 0.7666 0.1822 0.3752 0.115 Uiso 1 1 calc R . .
C14E C 0.7177(3) 0.21772(19) 0.33712(15) 0.093(3) Uani 1 1 d G . .
H14E H 0.7084 0.1804 0.3268 0.111 Uiso 1 1 calc R . .
C15E C 0.6968(2) 0.2713(3) 0.32346(11) 0.078(2) Uani 1 1 d G . .
H15E H 0.6732 0.2706 0.3038 0.094 Uiso 1 1 calc R . .
C16E C 0.7104(2) 0.32591(19) 0.33858(11) 0.0601(18) Uani 1 1 d G . .
N21E N 0.6969(2) 0.48483(17) 0.32592(10) 0.0658(17) Uani 1 1 d G . .
N22E N 0.71836(18) 0.43327(19) 0.34311(8) 0.0583(14) Uani 1 1 d G . .
C23E C 0.6947(2) 0.38137(17) 0.32715(12) 0.0583(18) Uani 1 1 d G . .
C24E C 0.6587(2) 0.4008(3) 0.30008(11) 0.076(2) Uani 1 1 d G . .
H24E H 0.6374 0.3755 0.2851 0.091 Uiso 1 1 calc R . .
C25E C 0.6600(2) 0.4648(3) 0.29932(10) 0.085(3) Uani 1 1 d G . .
H25E H 0.6398 0.4898 0.2838 0.102 Uiso 1 1 calc R . .
C26E C 0.7157(4) 0.5438(3) 0.33506(18) 0.075(2) Uani 1 1 d . . .
H26I H 0.7092 0.5719 0.3163 0.090 Uiso 1 1 calc R . .
H26J H 0.7592 0.5436 0.3405 0.090 Uiso 1 1 calc R . .
N31E N 0.49885(15) 0.19402(18) 0.36952(10) 0.0516(13) Uani 1 1 d G . .
C32E C 0.5394(2) 0.1635(2) 0.34930(9) 0.0647(19) Uani 1 1 d G . .
H32E H 0.5289 0.1542 0.3270 0.078 Uiso 1 1 calc R . .
C33E C 0.59536(19) 0.1466(2) 0.36166(12) 0.077(2) Uani 1 1 d G . .
H33E H 0.6231 0.1258 0.3478 0.093 Uiso 1 1 calc R . .
C34E C 0.61077(16) 0.1602(2) 0.39426(13) 0.099(4) Uani 1 1 d G . .
H34E H 0.6490 0.1486 0.4027 0.119 Uiso 1 1 calc R . .
C35E C 0.5702(2) 0.1907(2) 0.41448(10) 0.070(2) Uani 1 1 d G . .
H35E H 0.5808 0.2000 0.4368 0.084 Uiso 1 1 calc R . .
C36E C 0.51427(18) 0.20760(19) 0.40212(10) 0.0611(19) Uani 1 1 d G . .
N41E N 0.61956(18) 0.7194(2) 0.42939(11) 0.0749(19) Uani 1 1 d G . .
N42E N 0.5816(2) 0.7458(2) 0.40501(8) 0.0589(14) Uani 1 1 d G . .
C43E C 0.52623(17) 0.7612(2) 0.42048(11) 0.0636(19) Uani 1 1 d G . .
C44E C 0.5300(2) 0.7443(3) 0.45442(11) 0.076(2) Uani 1 1 d G . .
H44E H 0.4992 0.7494 0.4706 0.091 Uiso 1 1 calc R . .
C45E C 0.5876(3) 0.7185(3) 0.45993(9) 0.088(3) Uani 1 1 d G . .
H45E H 0.6023 0.7033 0.4804 0.106 Uiso 1 1 calc R . .
C46E C 0.6724(4) 0.6910(4) 0.4201(2) 0.080(2) Uani 1 1 d . . .
H46I H 0.6974 0.6833 0.4400 0.096 Uiso 1 1 calc R . .
H46J H 0.6955 0.7175 0.4050 0.096 Uiso 1 1 calc R . .
C51E C 0.6813(3) 0.5634(2) 0.36365(11) 0.085(3) Uani 1 1 d G . .
C52E C 0.6323(3) 0.5416(2) 0.38290(16) 0.087(3) Uani 1 1 d G . .
H52E H 0.6120 0.5043 0.3798 0.104 Uiso 1 1 calc R . .
C53E C 0.6189(2) 0.5854(3) 0.40751(14) 0.085(3) Uani 1 1 d G . .
H53E H 0.5881 0.5825 0.4238 0.102 Uiso 1 1 calc R . .
C54E C 0.6596(3) 0.6342(2) 0.40348(11) 0.077(2) Uani 1 1 d G . .
O55E O 0.6981(2) 0.62060(19) 0.37637(10) 0.0837(17) Uani 1 1 d G . .
N11F N 0.7883(2) 0.49336(18) 0.40033(11) 0.0635(16) Uani 1 1 d G . .
C12F C 0.8345(2) 0.5287(2) 0.38756(12) 0.100(3) Uani 1 1 d GU . .
H12F H 0.8562 0.5157 0.3685 0.120 Uiso 1 1 calc R . .
C13F C 0.8490(2) 0.5831(2) 0.40264(16) 0.105(4) Uani 1 1 d G . .
H13F H 0.8806 0.6073 0.3939 0.126 Uiso 1 1 calc R . .
C14F C 0.8174(3) 0.6022(2) 0.43048(15) 0.092(3) Uani 1 1 d G . .
H14F H 0.8273 0.6394 0.4408 0.111 Uiso 1 1 calc R . .
C15F C 0.7711(2) 0.5669(2) 0.44325(10) 0.076(2) Uani 1 1 d G . .
H15F H 0.7495 0.5799 0.4623 0.092 Uiso 1 1 calc R . .
C16F C 0.75662(19) 0.5124(2) 0.42818(11) 0.0583(18) Uani 1 1 d G . .
N21F N 0.6444(2) 0.39799(18) 0.43628(12) 0.0747(18) Uani 1 1 d G . .
N22F N 0.69564(19) 0.42446(19) 0.42107(9) 0.0609(15) Uani 1 1 d G . .
C23F C 0.7103(2) 0.4776(2) 0.43896(12) 0.0648(19) Uani 1 1 d G . .
C24F C 0.6681(3) 0.4839(2) 0.46522(11) 0.081(3) Uani 1 1 d G . .
H24F H 0.6673 0.5156 0.4811 0.097 Uiso 1 1 calc R . .
C25F C 0.6274(2) 0.4348(2) 0.46356(12) 0.083(3) Uani 1 1 d G . .
H25F H 0.5945 0.4277 0.4781 0.099 Uiso 1 1 calc R . .
C26F C 0.6165(4) 0.3485(4) 0.4223(2) 0.077(2) Uani 1 1 d . . .
H26K H 0.5949 0.3259 0.4399 0.092 Uiso 1 1 calc R . .
H26L H 0.6475 0.3215 0.4128 0.092 Uiso 1 1 calc R . .
N31F N 0.32372(15) 0.2118(2) 0.34792(10) 0.0566(14) Uani 1 1 d G . .
C32F C 0.2783(2) 0.1752(2) 0.36044(12) 0.080(2) Uani 1 1 d G . .
H32F H 0.2879 0.1436 0.3755 0.096 Uiso 1 1 calc R . .
C33F C 0.21883(18) 0.1847(2) 0.35097(15) 0.082(2) Uani 1 1 d G . .
H33F H 0.1878 0.1597 0.3595 0.098 Uiso 1 1 calc R . .
C34F C 0.20481(16) 0.2309(3) 0.32898(15) 0.091(3) Uani 1 1 d G . .
H34F H 0.1642 0.2374 0.3225 0.109 Uiso 1 1 calc R . .
C35F C 0.2502(2) 0.2675(2) 0.31646(12) 0.074(2) Uani 1 1 d G . .
H35F H 0.2407 0.2991 0.3014 0.089 Uiso 1 1 calc R . .
C36F C 0.30970(19) 0.25796(19) 0.32593(11) 0.067(2) Uani 1 1 d G . .
N41F N 0.45627(15) 0.3134(2) 0.30917(11) 0.0674(17) Uani 1 1 d G . .
N42F N 0.41433(18) 0.27661(18) 0.32643(9) 0.0620(15) Uani 1 1 d G . .
C43F C 0.35583(15) 0.2901(2) 0.31426(11) 0.0539(17) Uani 1 1 d G . .
C44F C 0.3616(2) 0.3352(2) 0.28948(11) 0.068(2) Uani 1 1 d G . .
H44F H 0.3296 0.3527 0.2772 0.081 Uiso 1 1 calc R . .
C45F C 0.4237(2) 0.34962(19) 0.28634(11) 0.071(2) Uani 1 1 d G . .
H45F H 0.4405 0.3784 0.2716 0.085 Uiso 1 1 calc R . .
C46F C 0.5171(3) 0.3156(3) 0.31676(19) 0.066(2) Uani 1 1 d . . .
H46K H 0.5392 0.3348 0.2982 0.079 Uiso 1 1 calc R . .
H46L H 0.5327 0.2741 0.3194 0.079 Uiso 1 1 calc R . .
C51F C 0.5756(2) 0.3646(2) 0.39746(11) 0.066(2) Uani 1 1 d G . .
C52F C 0.5357(3) 0.4136(2) 0.39216(17) 0.122(4) Uani 1 1 d GU . .
H52F H 0.5298 0.4468 0.4067 0.147 Uiso 1 1 calc R . .
C53F C 0.5062(3) 0.4045(2) 0.36130(18) 0.106(3) Uani 1 1 d G . .
H53F H 0.4771 0.4304 0.3516 0.128 Uiso 1 1 calc R . .
C54F C 0.5279(2) 0.3497(2) 0.34752(11) 0.080(3) Uani 1 1 d G . .
O55F O 0.57078(19) 0.32508(16) 0.36986(11) 0.0647(13) Uani 1 1 d G . .
B11X B 0.5000 0.5000 0.2453(5) 0.128(3) Uiso 0.321(10) 2 d SPDU . 1
F12X F 0.5000 0.5000 0.2111(5) 0.129(3) Uiso 0.321(10) 2 d SPDU . 1
F13X F 0.5542(6) 0.4793(14) 0.2575(5) 0.129(3) Uiso 0.161(5) 1 d PDU . 1
F14X F 0.5096(15) 0.4426(3) 0.2574(5) 0.128(3) Uiso 0.161(5) 1 d PDU . 1
F15X F 0.4554(10) 0.4628(12) 0.2575(5) 0.128(3) Uiso 0.161(5) 1 d PDU . 1
B11Y B 0.5000 0.5000 0.2524(2) 0.128(3) Uiso 0.679(10) 2 d SPDU . 2
F12Y F 0.5000 0.5000 0.2867(2) 0.128(3) Uiso 0.679(10) 2 d SPDU . 2
F13Y F 0.5354(6) 0.4533(5) 0.2406(2) 0.129(3) Uiso 0.339(5) 1 d PDU . 2
F14Y F 0.4784(7) 0.4458(3) 0.2404(2) 0.129(3) Uiso 0.339(5) 1 d PDU . 2
F15Y F 0.44231(19) 0.4906(8) 0.2405(2) 0.126(3) Uiso 0.339(5) 1 d PDU . 2
B21 B 0.7725(4) 0.5788(5) 0.2485(3) 0.1064(15) Uiso 1 1 d DU . .
F22 F 0.7149(2) 0.5587(2) 0.24729(14) 0.1062(15) Uiso 1 1 d DU A .
F23X F 0.7705(5) 0.6396(4) 0.2425(3) 0.108(2) Uiso 0.496(8) 1 d PDU A 1
F24X F 0.8069(5) 0.5462(5) 0.2294(3) 0.108(2) Uiso 0.496(8) 1 d PDU A 1
F25X F 0.7925(5) 0.5761(6) 0.2820(3) 0.114(2) Uiso 0.496(8) 1 d PDU A 1
F23Y F 0.8035(4) 0.5768(5) 0.2156(2) 0.102(2) Uiso 0.504(8) 1 d PDU A 2
F24Y F 0.7783(5) 0.6391(4) 0.2572(3) 0.108(2) Uiso 0.504(8) 1 d PDU A 2
F25Y F 0.8080(5) 0.5435(5) 0.2699(3) 0.115(2) Uiso 0.504(8) 1 d PDU A 2
B31 B 0.5694(4) 0.2381(4) 0.2482(2) 0.0831(14) Uiso 1 1 d DU . .
F32 F 0.5808(2) 0.2040(2) 0.22012(12) 0.0885(12) Uiso 1 1 d DU . .
F33 F 0.6149(2) 0.2773(2) 0.25411(12) 0.0828(12) Uiso 1 1 d DU . .
F34 F 0.5614(2) 0.1999(2) 0.27582(13) 0.0946(13) Uiso 1 1 d DU . .
F35 F 0.5168(2) 0.2699(2) 0.24378(12) 0.0872(12) Uiso 1 1 d DU . .
B41 B 0.6739(5) 0.2532(5) 0.4858(3) 0.1115(16) Uiso 1 1 d DU . .
F42 F 0.6969(3) 0.2194(3) 0.51131(16) 0.1271(18) Uiso 1 1 d DU B .
F43X F 0.7018(4) 0.3097(3) 0.4904(2) 0.115(2) Uiso 0.711(6) 1 d PDU B 1
F44X F 0.6919(4) 0.2331(4) 0.45473(19) 0.107(2) Uiso 0.711(6) 1 d PDU B 1
F45X F 0.6132(3) 0.2620(4) 0.4858(2) 0.1090(19) Uiso 0.711(6) 1 d PDU B 1
F43Y F 0.6499(8) 0.3062(6) 0.4974(4) 0.110(2) Uiso 0.289(6) 1 d PDU B 2
F44Y F 0.6201(7) 0.2188(8) 0.4778(4) 0.114(2) Uiso 0.289(6) 1 d PDU B 2
F45Y F 0.7061(8) 0.2581(9) 0.4588(4) 0.109(2) Uiso 0.289(6) 1 d PDU B 2
B51 B 0.5252(4) 0.8046(4) 0.0144(2) 0.0847(13) Uiso 1 1 d DU . .
F52X F 0.4696(4) 0.7774(5) 0.0188(2) 0.0742(19) Uiso 0.485(9) 1 d PDU C 1
F53X F 0.5383(5) 0.8325(5) 0.0470(2) 0.089(2) Uiso 0.485(9) 1 d PDU C 1
F54X F 0.5675(5) 0.7658(5) 0.0079(3) 0.0923(18) Uiso 0.485(9) 1 d PDU C 1
F55X F 0.5218(5) 0.8554(5) -0.0062(3) 0.090(2) Uiso 0.485(9) 1 d PDU C 1
F52Y F 0.5394(5) 0.7415(4) 0.0022(2) 0.092(2) Uiso 0.515(9) 1 d PDU C 2
F53Y F 0.4647(3) 0.8022(5) 0.0206(2) 0.0729(18) Uiso 0.515(9) 1 d PDU C 2
F54Y F 0.5591(5) 0.8113(5) 0.0411(2) 0.0925(18) Uiso 0.515(9) 1 d PDU C 2
F55Y F 0.5357(4) 0.8380(4) -0.0126(2) 0.0860(19) Uiso 0.515(9) 1 d PDU C 2
B61 B 0.5000 0.5000 0.5000 0.073(3) Uiso 1 4 d SDU . .
F62 F 0.54902(19) 0.48446(19) 0.51946(11) 0.0739(11) Uiso 1 1 d DU . .
B71 B 0.5000 0.5000 0.0000 0.084(3) Uiso 1 4 d SDU . .
F72 F 0.5391(2) 0.4660(2) 0.02002(12) 0.0867(13) Uiso 1 1 d DU . .
C11S C 0.9343(5) 0.3635(5) 0.0191(3) 0.104(3) Uiso 1 1 d . . .
H11A H 0.9153 0.3785 -0.0013 0.156 Uiso 1 1 calc R . .
H11B H 0.9429 0.3204 0.0167 0.156 Uiso 1 1 calc R . .
H11C H 0.9720 0.3854 0.0230 0.156 Uiso 1 1 calc R . .
N12S N 0.8922(3) 0.3730(3) 0.04808(17) 0.0735(17) Uiso 1 1 d . . .
O13S O 0.8513(3) 0.3372(3) 0.04908(15) 0.0879(17) Uiso 1 1 d . . .
O14S O 0.8994(3) 0.4141(3) 0.06757(16) 0.0870(16) Uiso 1 1 d . . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 '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
_geom_angle_site_symmetry_3
N11B Cu1 N11A 174.92(18) . .
N11B Cu1 N22A 98.89(17) . .
N11A Cu1 N22A 80.31(17) . .
N11B Cu1 N11C 88.45(18) . .
N11A Cu1 N11C 93.01(18) . .
N22A Cu1 N11C 169.62(19) . .
N11B Cu1 N22B 77.2(8) . 2_665
N11A Cu1 N22B 97.8(8) . 2_665
N22A Cu1 N22B 93.6(6) . 2_665
N11C Cu1 N22B 95.1(6) . 2_665
N11B Cu1 N22C 96.63(18) . .
N11A Cu1 N22C 88.45(19) . .
N22A Cu1 N22C 96.21(18) . .
N11C Cu1 N22C 75.54(19) . .
N22B Cu1 N22C 169.1(6) 2_665 .
N31B Cu2 N31A 177.79(16) . .
N31B Cu2 N42B 80.26(16) . .
N31A Cu2 N42B 100.99(17) . .
N31B Cu2 N11D 93.82(17) . .
N31A Cu2 N11D 85.18(17) . .
N42B Cu2 N11D 170.51(18) . .
N31B Cu2 N42A 101.00(16) . .
N31A Cu2 N42A 77.11(15) . .
N42B Cu2 N42A 94.74(17) . .
N11D Cu2 N42A 93.66(18) . .
N31B Cu2 N22D 87.51(17) . .
N31A Cu2 N22D 94.14(16) . .
N42B Cu2 N22D 96.73(16) . .
N11D Cu2 N22D 75.49(17) . .
N42A Cu2 N22D 166.74(16) . .
N11F Cu3 N22E 99.35(19) . .
N11F Cu3 N11E 176.50(18) . .
N22E Cu3 N11E 80.59(17) . .
N11F Cu3 N31D 87.7(2) . .
N22E Cu3 N31D 168.97(18) . .
N11E Cu3 N31D 92.9(2) . .
N11F Cu3 N22F 77.97(16) . .
N22E Cu3 N22F 95.99(17) . .
N11E Cu3 N22F 98.55(17) . .
N31D Cu3 N22F 93.76(19) . .
N11F Cu3 N42D 94.38(18) . .
N22E Cu3 N42D 94.56(17) . .
N11E Cu3 N42D 89.10(18) . .
N31D Cu3 N42D 76.35(18) . .
N22F Cu3 N42D 167.85(17) . .
N31F Cu4 N31E 176.36(18) . .
N31F Cu4 N42F 80.88(17) . .
N31E Cu4 N42F 101.16(16) . .
N31F Cu4 N31C 93.30(19) . 2_665
N31E Cu4 N31C 85.16(18) . 2_665
N42F Cu4 N31C 169.3(2) . 2_665
N31F Cu4 N42E 100.3(11) . 2_665
N31E Cu4 N42E 76.6(11) . 2_665
N42F Cu4 N42E 96.3(5) . 2_665
N31C Cu4 N42E 93.6(5) 2_665 2_665
N31F Cu4 N42C 88(2) . 2_665
N31E Cu4 N42C 95(2) . 2_665
N42F Cu4 N42C 95.2(13) . 2_665
N31C Cu4 N42C 75.5(13) 2_665 2_665
N42E Cu4 N42C 166.7(19) 2_665 2_665
C12A N11A C16A 120.0 . .
C12A N11A Cu1 125.8(2) . .
C16A N11A Cu1 114.2(2) . .
C13A C12A N11A 120.0 . .
C13A C12A H12A 120.0 . .
N11A C12A H12A 120.0 . .
C12A C13A C14A 120.0 . .
C12A C13A H13A 120.0 . .
C14A C13A H13A 120.0 . .
C13A C14A C15A 120.0 . .
C13A C14A H14A 120.0 . .
C15A C14A H14A 120.0 . .
C16A C15A C14A 120.0 . .
C16A C15A H15A 120.0 . .
C14A C15A H15A 120.0 . .
C23A C16A C15A 123.8(3) . .
C23A C16A N11A 116.2(3) . .
C15A C16A N11A 120.0 . .
C26A N21A N22A 124.2(4) . .
C26A N21A C25A 127.8(4) . .
N22A N21A C25A 108.0 . .
N21A N22A C23A 108.0 . .
N21A N22A Cu1 140.2(2) . .
C23A N22A Cu1 111.4(2) . .
C16A C23A C24A 134.5(4) . .
C16A C23A N22A 117.5(4) . .
C24A C23A N22A 108.0 . .
C25A C24A C23A 108.0 . .
C25A C24A H24A 126.0 . .
C23A C24A H24A 126.0 . .
C24A C25A N21A 108.0 . .
C24A C25A H25A 126.0 . .
N21A C25A H25A 126.0 . .
N21A C26A C51A 110.7(6) . .
N21A C26A H26A 109.5 . .
C51A C26A H26A 109.5 . .
N21A C26A H26B 109.5 . .
C51A C26A H26B 109.5 . .
H26A C26A H26B 108.1 . .
C32A N31A C36A 120.0 . .
C32A N31A Cu2 122.1(2) . .
C36A N31A Cu2 117.1(2) . .
N31A C32A C33A 120.0 . .
N31A C32A H32A 120.0 . .
C33A C32A H32A 120.0 . .
C34A C33A C32A 120.0 . .
C34A C33A H33A 120.0 . .
C32A C33A H33A 120.0 . .
C35A C34A C33A 120.0 . .
C35A C34A H34A 120.0 . .
C33A C34A H34A 120.0 . .
C36A C35A C34A 120.0 . .
C36A C35A H35A 120.0 . .
C34A C35A H35A 120.0 . .
C43A C36A C35A 122.3(3) . .
C43A C36A N31A 117.7(3) . .
C35A C36A N31A 120.0 . .
N42A N41A C45A 108.0 . .
N42A N41A C46A 120.9(4) . .
C45A N41A C46A 130.6(4) . .
N41A N42A C43A 108.0 . .
N41A N42A Cu2 140.9(2) . .
C43A N42A Cu2 108.7(2) . .
C36A C43A C44A 134.3(3) . .
C36A C43A N42A 117.6(3) . .
C44A C43A N42A 108.0 . .
C45A C44A C43A 108.0 . .
C45A C44A H44A 126.0 . .
C43A C44A H44A 126.0 . .
C44A C45A N41A 108.0 . .
C44A C45A H45A 126.0 . .
N41A C45A H45A 126.0 . .
N41A C46A C54A 107.9(5) . .
N41A C46A H46A 110.1 . .
C54A C46A H46A 110.1 . .
N41A C46A H46B 110.1 . .
C54A C46A H46B 110.1 . .
H46A C46A H46B 108.4 . .
C52A C51A O55A 108.0 . .
C52A C51A C26A 136.6(4) . .
O55A C51A C26A 115.2(4) . .
C53A C52A C51A 108.0 . .
C53A C52A H52A 126.0 . .
C51A C52A H52A 126.0 . .
C52A C53A C54A 108.0 . .
C52A C53A H53A 126.0 . .
C54A C53A H53A 126.0 . .
O55A C54A C53A 108.0 . .
O55A C54A C46A 114.2(5) . .
C53A C54A C46A 137.8(5) . .
C54A O55A C51A 108.0 . .
C12B N11B C16B 120.0 . .
C12B N11B Cu1 121.1(2) . .
C16B N11B Cu1 118.9(2) . .
N11B C12B C13B 120.0 . .
N11B C12B H12B 120.0 . .
C13B C12B H12B 120.0 . .
C14B C13B C12B 120.0 . .
C14B C13B H13B 120.0 . .
C12B C13B H13B 120.0 . .
C13B C14B C15B 120.0 . .
C13B C14B H14B 120.0 . .
C15B C14B H14B 120.0 . .
C14B C15B C16B 120.0 . .
C14B C15B H15B 120.0 . .
C16B C15B H15B 120.0 . .
C23B C16B C15B 122.9(11) 2_665 .
C23B C16B N11B 117.1(11) 2_665 .
C15B C16B N11B 120.0 . .
C26B N21B N22B 119.8(5) . .
C26B N21B C25B 131.7(5) . .
N22B N21B C25B 108.0 . .
N21B N22B C23B 108.0 . .
N21B N22B Cu1 145.1(2) . 2_665
C23B N22B Cu1 106.5(2) . 2_665
C16B C23B C24B 132.2(13) 2_665 .
C16B C23B N22B 119.7(13) 2_665 .
C24B C23B N22B 108.0 . .
C25B C24B C23B 108.0 . .
C25B C24B H24B 126.0 . .
C23B C24B H24B 126.0 . .
C24B C25B N21B 108.0 . .
C24B C25B H25B 126.0 . .
N21B C25B H25B 126.0 . .
N21B C26B C51B 113.3(6) . .
N21B C26B H26C 108.9 . .
C51B C26B H26C 108.9 . .
N21B C26B H26D 108.9 . .
C51B C26B H26D 108.9 . .
H26C C26B H26D 107.7 . .
C32B N31B C36B 120.0 . .
C32B N31B Cu2 125.3(2) . .
C36B N31B Cu2 114.7(2) . .
C33B C32B N31B 120.0 . .
C33B C32B H32B 120.0 . .
N31B C32B H32B 120.0 . .
C32B C33B C34B 120.0 . .
C32B C33B H33B 120.0 . .
C34B C33B H33B 120.0 . .
C35B C34B C33B 120.0 . .
C35B C34B H34B 120.0 . .
C33B C34B H34B 120.0 . .
C34B C35B C36B 120.0 . .
C34B C35B H35B 120.0 . .
C36B C35B H35B 120.0 . .
C43B C36B C35B 124.7(3) . .
C43B C36B N31B 115.3(3) . .
C35B C36B N31B 120.0 . .
C46B N41B N42B 123.6(5) . .
C46B N41B C45B 127.9(5) . .
N42B N41B C45B 108.0 . .
C43B N42B N41B 108.0 . .
C43B N42B Cu2 111.0(2) . .
N41B N42B Cu2 140.6(2) . .
C36B C43B C44B 133.7(4) . .
C36B C43B N42B 118.3(4) . .
C44B C43B N42B 108.0 . .
C45B C44B C43B 108.0 . .
C45B C44B H44B 126.0 . .
C43B C44B H44B 126.0 . .
C44B C45B N41B 108.0 . .
C44B C45B H45B 126.0 . .
N41B C45B H45B 126.0 . .
N41B C46B C54B 115.1(6) . .
N41B C46B H46C 108.5 . .
C54B C46B H46C 108.5 . .
N41B C46B H46D 108.5 . .
C54B C46B H46D 108.5 . .
H46C C46B H46D 107.5 . .
C52B C51B O55B 108.0 . .
C52B C51B C26B 136.9(5) . .
O55B C51B C26B 115.1(5) . .
C53B C52B C51B 108.0 . .
C53B C52B H52B 126.0 . .
C51B C52B H52B 126.0 . .
C52B C53B C54B 108.0 . .
C52B C53B H53B 126.0 . .
C54B C53B H53B 126.0 . .
C46B C54B O55B 119.1(5) . .
C46B C54B C53B 132.9(5) . .
O55B C54B C53B 108.0 . .
C54B O55B C51B 108.0 . .
C12C N11C C16C 120.0 . .
C12C N11C Cu1 120.6(3) . .
C16C N11C Cu1 119.3(3) . .
C13C C12C N11C 120.0 . .
C13C C12C H12C 120.0 . .
N11C C12C H12C 120.0 . .
C12C C13C C14C 120.0 . .
C12C C13C H13C 120.0 . .
C14C C13C H13C 120.0 . .
C15C C14C C13C 120.0 . .
C15C C14C H14C 120.0 . .
C13C C14C H14C 120.0 . .
C14C C15C C16C 120.0 . .
C14C C15C H15C 120.0 . .
C16C C15C H15C 120.0 . .
C23C C16C C15C 123.0(4) . .
C23C C16C N11C 117.0(4) . .
C15C C16C N11C 120.0 . .
C26C N21C N22C 122.5(6) . .
C26C N21C C25C 129.2(6) . .
N22C N21C C25C 108.0 . .
C23C N22C N21C 108.0 . .
C23C N22C Cu1 107.0(3) . .
N21C N22C Cu1 145.0(3) . .
C16C C23C N22C 120.9(5) . .
C16C C23C C24C 131.1(5) . .
N22C C23C C24C 108.0 . .
C25C C24C C23C 108.0 . .
C25C C24C H24C 126.0 . .
C23C C24C H24C 126.0 . .
N21C C25C C24C 108.0 . .
N21C C25C H25C 126.0 . .
C24C C25C H25C 126.0 . .
N21C C26C C51C 112.7(7) . .
N21C C26C H26E 109.0 . .
C51C C26C H26E 109.0 . .
N21C C26C H26F 109.0 . .
C51C C26C H26F 109.0 . .
H26E C26C H26F 107.8 . .
C32C N31C C36C 120.0 . .
C32C N31C Cu4 122.5(3) . 2_665
C36C N31C Cu4 116.2(3) . 2_665
N31C C32C C33C 120.0 . .
N31C C32C H32C 120.0 . .
C33C C32C H32C 120.0 . .
C34C C33C C32C 120.0 . .
C34C C33C H33C 120.0 . .
C32C C33C H33C 120.0 . .
C33C C34C C35C 120.0 . .
C33C C34C H34C 120.0 . .
C35C C34C H34C 120.0 . .
C36C C35C C34C 120.0 . .
C36C C35C H35C 120.0 . .
C34C C35C H35C 120.0 . .
C43C C36C C35C 121.8(5) . .
C43C C36C N31C 118.1(5) . .
C35C C36C N31C 120.0 . .
C46C N41C N42C 123.4(6) . .
C46C N41C C45C 127.2(6) . .
N42C N41C C45C 108.0 . .
N41C N42C C43C 108.0 . .
N41C N42C Cu4 143.5(3) . 2_665
C43C N42C Cu4 107.5(3) . 2_665
C36C C43C C44C 132.2(5) . .
C36C C43C N42C 119.8(5) . .
C44C C43C N42C 108.0 . .
C43C C44C C45C 108.0 . .
C43C C44C H44C 126.0 . .
C45C C44C H44C 126.0 . .
C44C C45C N41C 108.0 . .
C44C C45C H45C 126.0 . .
N41C C45C H45C 126.0 . .
N41C C46C C54C 109.3(7) . .
N41C C46C H46E 109.8 . .
C54C C46C H46E 109.8 . .
N41C C46C H46F 109.8 . .
C54C C46C H46F 109.8 . .
H46E C46C H46F 108.3 . .
C52C C51C O55C 108.0 . .
C52C C51C C26C 133.5(5) . .
O55C C51C C26C 118.5(5) . .
C51C C52C C53C 108.0 . .
C51C C52C H52C 126.0 . .
C53C C52C H52C 126.0 . .
C54C C53C C52C 108.0 . .
C54C C53C H53C 126.0 . .
C52C C53C H53C 126.0 . .
C46C C54C O55C 115.0(6) . .
C46C C54C C53C 136.9(6) . .
O55C C54C C53C 108.0 . .
C54C O55C C51C 108.0 . .
C12D N11D C16D 120.0 . .
C12D N11D Cu2 121.6(3) . .
C16D N11D Cu2 118.2(3) . .
C13D C12D N11D 120.0 . .
C13D C12D H12D 120.0 . .
N11D C12D H12D 120.0 . .
C12D C13D C14D 120.0 . .
C12D C13D H13D 120.0 . .
C14D C13D H13D 120.0 . .
C15D C14D C13D 120.0 . .
C15D C14D H14D 120.0 . .
C13D C14D H14D 120.0 . .
C16D C15D C14D 120.0 . .
C16D C15D H15D 120.0 . .
C14D C15D H15D 120.0 . .
C23D C16D C15D 122.6(4) . .
C23D C16D N11D 117.4(4) . .
C15D C16D N11D 120.0 . .
C26D N21D N22D 121.1(5) . .
C26D N21D C25D 130.3(5) . .
N22D N21D C25D 108.0 . .
N21D N22D C23D 108.0 . .
N21D N22D Cu2 143.9(3) . .
C23D N22D Cu2 107.1(2) . .
C16D C23D C24D 131.4(4) . .
C16D C23D N22D 120.5(4) . .
C24D C23D N22D 108.0 . .
C23D C24D C25D 108.0 . .
C23D C24D H24D 126.0 . .
C25D C24D H24D 126.0 . .
C24D C25D N21D 108.0 . .
C24D C25D H25D 126.0 . .
N21D C25D H25D 126.0 . .
N21D C26D C51D 107.5(6) . .
N21D C26D H26G 110.2 . .
C51D C26D H26G 110.2 . .
N21D C26D H26H 110.2 . .
C51D C26D H26H 110.2 . .
H26G C26D H26H 108.5 . .
C32D N31D C36D 120.0 . .
C32D N31D Cu3 122.6(3) . .
C36D N31D Cu3 117.2(3) . .
C33D C32D N31D 120.0 . .
C33D C32D H32D 120.0 . .
N31D C32D H32D 120.0 . .
C32D C33D C34D 120.0 . .
C32D C33D H33D 120.0 . .
C34D C33D H33D 120.0 . .
C35D C34D C33D 120.0 . .
C35D C34D H34D 120.0 . .
C33D C34D H34D 120.0 . .
C34D C35D C36D 120.0 . .
C34D C35D H35D 120.0 . .
C36D C35D H35D 120.0 . .
C43D C36D C35D 120.9(4) . .
C43D C36D N31D 119.1(4) . .
C35D C36D N31D 120.0 . .
C45D N41D N42D 108.0 . .
C45D N41D C46D 129.3(5) . .
N42D N41D C46D 122.4(5) . .
N41D N42D C43D 108.0 . .
N41D N42D Cu3 141.0(3) . .
C43D N42D Cu3 105.5(3) . .
C36D C43D C44D 132.2(4) . .
C36D C43D N42D 119.5(4) . .
C44D C43D N42D 108.0 . .
C45D C44D C43D 108.0 . .
C45D C44D H44D 126.0 . .
C43D C44D H44D 126.0 . .
C44D C45D N41D 108.0 . .
C44D C45D H45D 126.0 . .
N41D C45D H45D 126.0 . .
N41D C46D C54D 114.8(6) . .
N41D C46D H46G 108.6 . .
C54D C46D H46G 108.6 . .
N41D C46D H46H 108.6 . .
C54D C46D H46H 108.6 . .
H46G C46D H46H 107.5 . .
C52D C51D O55D 108.0 . .
C52D C51D C26D 135.8(4) . .
O55D C51D C26D 116.1(4) . .
C51D C52D C53D 108.0 . .
C51D C52D H52D 126.0 . .
C53D C52D H52D 126.0 . .
C54D C53D C52D 108.0 . .
C54D C53D H53D 126.0 . .
C52D C53D H53D 126.0 . .
O55D C54D C53D 108.0 . .
O55D C54D C46D 118.6(4) . .
C53D C54D C46D 133.4(4) . .
C54D O55D C51D 108.0 . .
C12E N11E C16E 120.0 . .
C12E N11E Cu3 124.7(3) . .
C16E N11E Cu3 114.9(3) . .
C13E C12E N11E 120.0 . .
C13E C12E H12E 120.0 . .
N11E C12E H12E 120.0 . .
C14E C13E C12E 120.0 . .
C14E C13E H13E 120.0 . .
C12E C13E H13E 120.0 . .
C15E C14E C13E 120.0 . .
C15E C14E H14E 120.0 . .
C13E C14E H14E 120.0 . .
C14E C15E C16E 120.0 . .
C14E C15E H15E 120.0 . .
C16E C15E H15E 120.0 . .
C23E C16E C15E 125.9(4) . .
C23E C16E N11E 114.1(4) . .
C15E C16E N11E 120.0 . .
N22E N21E C25E 108.0 . .
N22E N21E C26E 121.1(5) . .
C25E N21E C26E 130.8(5) . .
C23E N22E N21E 108.0 . .
C23E N22E Cu3 111.1(2) . .
N21E N22E Cu3 140.9(2) . .
C16E C23E N22E 119.1(4) . .
C16E C23E C24E 132.8(4) . .
N22E C23E C24E 108.0 . .
C25E C24E C23E 108.0 . .
C25E C24E H24E 126.0 . .
C23E C24E H24E 126.0 . .
C24E C25E N21E 108.0 . .
C24E C25E H25E 126.0 . .
N21E C25E H25E 126.0 . .
N21E C26E C51E 109.1(6) . .
N21E C26E H26I 109.9 . .
C51E C26E H26I 109.9 . .
N21E C26E H26J 109.9 . .
C51E C26E H26J 109.9 . .
H26I C26E H26J 108.3 . .
C32E N31E C36E 120.0 . .
C32E N31E Cu4 121.7(2) . .
C36E N31E Cu4 116.8(2) . .
C33E C32E N31E 120.0 . .
C33E C32E H32E 120.0 . .
N31E C32E H32E 120.0 . .
C32E C33E C34E 120.0 . .
C32E C33E H33E 120.0 . .
C34E C33E H33E 120.0 . .
C35E C34E C33E 120.0 . .
C35E C34E H34E 120.0 . .
C33E C34E H34E 120.0 . .
C36E C35E C34E 120.0 . .
C36E C35E H35E 120.0 . .
C34E C35E H35E 120.0 . .
C43E C36E C35E 122.4(17) 2_665 .
C43E C36E N31E 117.6(17) 2_665 .
C35E C36E N31E 120.0 . .
C46E N41E N42E 120.2(5) . .
C46E N41E C45E 130.6(5) . .
N42E N41E C45E 108.0 . .
C43E N42E N41E 108.0 . .
C43E N42E Cu4 108.4(2) . 2_665
N41E N42E Cu4 139.5(3) . 2_665
C36E C43E N42E 117.2(16) 2_665 .
C36E C43E C44E 134.3(16) 2_665 .
N42E C43E C44E 108.0 . .
C43E C44E C45E 108.0 . .
C43E C44E H44E 126.0 . .
C45E C44E H44E 126.0 . .
N41E C45E C44E 108.0 . .
N41E C45E H45E 126.0 . .
C44E C45E H45E 126.0 . .
N41E C46E C54E 110.7(7) . .
N41E C46E H46I 109.5 . .
C54E C46E H46I 109.5 . .
N41E C46E H46J 109.5 . .
C54E C46E H46J 109.5 . .
H46I C46E H46J 108.1 . .
O55E C51E C52E 108.0 . .
O55E C51E C26E 114.6(5) . .
C52E C51E C26E 137.4(5) . .
C53E C52E C51E 108.0 . .
C53E C52E H52E 126.0 . .
C51E C52E H52E 126.0 . .
C52E C53E C54E 108.0 . .
C52E C53E H53E 126.0 . .
C54E C53E H53E 126.0 . .
O55E C54E C53E 108.0 . .
O55E C54E C46E 114.8(5) . .
C53E C54E C46E 137.2(5) . .
C51E O55E C54E 108.0 . .
C12F N11F C16F 120.0 . .
C12F N11F Cu3 123.0(2) . .
C16F N11F Cu3 116.7(2) . .
N11F C12F C13F 120.0 . .
N11F C12F H12F 120.0 . .
C13F C12F H12F 120.0 . .
C14F C13F C12F 120.0 . .
C14F C13F H13F 120.0 . .
C12F C13F H13F 120.0 . .
C13F C14F C15F 120.0 . .
C13F C14F H14F 120.0 . .
C15F C14F H14F 120.0 . .
C16F C15F C14F 120.0 . .
C16F C15F H15F 120.0 . .
C14F C15F H15F 120.0 . .
C23F C16F C15F 122.1(4) . .
C23F C16F N11F 117.9(4) . .
C15F C16F N11F 120.0 . .
C26F N21F C25F 130.8(5) . .
C26F N21F N22F 120.9(5) . .
C25F N21F N22F 108.0 . .
C23F N22F N21F 108.0 . .
C23F N22F Cu3 107.1(2) . .
N21F N22F Cu3 144.4(2) . .
C16F C23F N22F 119.0(4) . .
C16F C23F C24F 132.9(4) . .
N22F C23F C24F 108.0 . .
C23F C24F C25F 108.0 . .
C23F C24F H24F 126.0 . .
C25F C24F H24F 126.0 . .
N21F C25F C24F 108.0 . .
N21F C25F H25F 126.0 . .
C24F C25F H25F 126.0 . .
N21F C26F C51F 112.2(6) . .
N21F C26F H26K 109.2 . .
C51F C26F H26K 109.2 . .
N21F C26F H26L 109.2 . .
C51F C26F H26L 109.2 . .
H26K C26F H26L 107.9 . .
C32F N31F C36F 120.0 . .
C32F N31F Cu4 125.7(2) . .
C36F N31F Cu4 114.3(2) . .
C33F C32F N31F 120.0 . .
C33F C32F H32F 120.0 . .
N31F C32F H32F 120.0 . .
C32F C33F C34F 120.0 . .
C32F C33F H33F 120.0 . .
C34F C33F H33F 120.0 . .
C35F C34F C33F 120.0 . .
C35F C34F H34F 120.0 . .
C33F C34F H34F 120.0 . .
C34F C35F C36F 120.0 . .
C34F C35F H35F 120.0 . .
C36F C35F H35F 120.0 . .
C43F C36F C35F 123.4(3) . .
C43F C36F N31F 116.6(3) . .
C35F C36F N31F 120.0 . .
C46F N41F C45F 128.3(4) . .
C46F N41F N42F 123.4(4) . .
C45F N41F N42F 108.0 . .
C43F N42F N41F 108.0 . .
C43F N42F Cu4 110.2(2) . .
N41F N42F Cu4 140.9(2) . .
C36F C43F N42F 117.9(4) . .
C36F C43F C44F 134.0(4) . .
N42F C43F C44F 108.0 . .
C43F C44F C45F 108.0 . .
C43F C44F H44F 126.0 . .
C45F C44F H44F 126.0 . .
N41F C45F C44F 108.0 . .
N41F C45F H45F 126.0 . .
C44F C45F H45F 126.0 . .
N41F C46F C54F 111.3(6) . .
N41F C46F H46K 109.4 . .
C54F C46F H46K 109.4 . .
N41F C46F H46L 109.4 . .
C54F C46F H46L 109.4 . .
H46K C46F H46L 108.0 . .
C26F C51F C52F 135.1(5) . .
C26F C51F O55F 116.9(5) . .
C52F C51F O55F 108.0 . .
C51F C52F C53F 108.0 . .
C51F C52F H52F 126.0 . .
C53F C52F H52F 126.0 . .
C54F C53F C52F 108.0 . .
C54F C53F H53F 126.0 . .
C52F C53F H53F 126.0 . .
O55F C54F C53F 108.0 . .
O55F C54F C46F 116.4(4) . .
C53F C54F C46F 135.6(4) . .
C54F O55F C51F 108.0 . .
F13X B11X F13X 138.1(5) . 2_665
F13X B11X F15X 56.4(3) . 2_665
F13X B11X F15X 107.4(2) 2_665 2_665
F13X B11X F15X 107.4(2) . .
F13X B11X F15X 56.4(3) 2_665 .
F15X B11X F15X 138.3(5) 2_665 .
F13X B11X F12X 110.9(2) . .
F13X B11X F12X 110.9(2) 2_665 .
F15X B11X F12X 110.8(2) 2_665 .
F15X B11X F12X 110.8(2) . .
F13X B11X F14X 55.36(12) . .
F13X B11X F14X 108.4(3) 2_665 .
F15X B11X F14X 108.5(3) 2_665 .
F15X B11X F14X 55.40(12) . .
F12X B11X F14X 110.7(2) . .
F13X B11X F14X 108.4(3) . 2_665
F13X B11X F14X 55.36(12) 2_665 2_665
F15X B11X F14X 55.40(12) 2_665 2_665
F15X B11X F14X 108.5(3) . 2_665
F12X B11X F14X 110.7(2) . 2_665
F14X B11X F14X 138.6(5) . 2_665
F14X F13X F15X 120.0(3) . 2_665
F14X F13X B11X 62.39(13) . .
F15X F13X B11X 61.81(19) 2_665 .
F13X F14X F15X 120.2(3) . .
F13X F14X B11X 62.25(13) . .
F15X F14X B11X 62.25(13) . .
F14X F15X F13X 119.8(3) . 2_665
F14X F15X B11X 62.36(13) . .
F13X F15X B11X 61.77(19) 2_665 .
F15Y B11Y F15Y 139.7(4) 2_665 .
F15Y B11Y F14Y 109.5(3) 2_665 .
F15Y B11Y F14Y 55.05(11) . .
F15Y B11Y F14Y 55.05(11) 2_665 2_665
F15Y B11Y F14Y 109.5(3) . 2_665
F14Y B11Y F14Y 139.3(4) . 2_665
F15Y B11Y F12Y 110.2(2) 2_665 .
F15Y B11Y F12Y 110.2(2) . .
F14Y B11Y F12Y 110.4(2) . .
F14Y B11Y F12Y 110.4(2) 2_665 .
F15Y B11Y F13Y 57.9(3) 2_665 .
F15Y B11Y F13Y 107.13(19) . .
F14Y B11Y F13Y 54.95(11) . .
F14Y B11Y F13Y 109.6(3) 2_665 .
F12Y B11Y F13Y 110.1(2) . .
F15Y B11Y F13Y 107.13(19) 2_665 2_665
F15Y B11Y F13Y 57.9(3) . 2_665
F14Y B11Y F13Y 109.6(3) . 2_665
F14Y B11Y F13Y 54.95(11) 2_665 2_665
F12Y B11Y F13Y 110.1(2) . 2_665
F13Y B11Y F13Y 139.8(4) . 2_665
F14Y F13Y F15Y 119.3(3) . 2_665
F14Y F13Y B11Y 62.45(13) . .
F15Y F13Y B11Y 60.97(18) 2_665 .
F13Y F14Y F15Y 121.3(3) . .
F13Y F14Y B11Y 62.60(13) . .
F15Y F14Y B11Y 62.47(13) . .
F14Y F15Y F13Y 119.5(3) . 2_665
F14Y F15Y B11Y 62.48(13) . .
F13Y F15Y B11Y 61.12(18) 2_665 .
F24X B21 F22 110.5(9) . .
F24X B21 F23X 117.5(10) . .
F22 B21 F23X 106.7(8) . .
F24X B21 F24Y 128.9(10) . .
F22 B21 F24Y 114.5(9) . .
F23X B21 F24Y 25.7(7) . .
F24X B21 F25Y 73.9(8) . .
F22 B21 F25Y 111.6(8) . .
F23X B21 F25Y 132.3(10) . .
F24Y B21 F25Y 109.3(9) . .
F24X B21 F25X 110.6(9) . .
F22 B21 F25X 108.4(8) . .
F23X B21 F25X 102.6(9) . .
F24Y B21 F25X 76.9(8) . .
F25Y B21 F25X 38.7(6) . .
F24X B21 F23Y 36.0(6) . .
F22 B21 F23Y 113.1(8) . .
F23X B21 F23Y 83.5(8) . .
F24Y B21 F23Y 102.0(8) . .
F25Y B21 F23Y 105.7(8) . .
F25X B21 F23Y 134.2(9) . .
F33 B31 F35 108.9(7) . .
F33 B31 F32 110.9(7) . .
F35 B31 F32 109.2(7) . .
F33 B31 F34 110.1(7) . .
F35 B31 F34 107.8(7) . .
F32 B31 F34 109.9(7) . .
F45Y B41 F45X 121.9(11) . .
F45Y B41 F42 117.8(10) . .
F45X B41 F42 116.7(8) . .
F45Y B41 F43Y 115.1(11) . .
F45X B41 F43Y 59.5(8) . .
F42 B41 F43Y 111.1(9) . .
F45Y B41 F44X 28.1(9) . .
F45X B41 F44X 109.3(8) . .
F42 B41 F44X 113.1(8) . .
F43Y B41 F44X 133.9(11) . .
F45Y B41 F43X 78.1(10) . .
F45X B41 F43X 107.8(8) . .
F42 B41 F43X 103.1(8) . .
F43Y B41 F43X 50.5(8) . .
F44X B41 F43X 106.1(8) . .
F45Y B41 F44Y 107.9(11) . .
F45X B41 F44Y 42.5(7) . .
F42 B41 F44Y 100.7(9) . .
F43Y B41 F44Y 101.9(10) . .
F44X B41 F44Y 82.3(10) . .
F43X B41 F44Y 148.9(10) . .
F54X B51 F54Y 80.0(8) . .
F54X B51 F55Y 94.4(8) . .
F54Y B51 F55Y 120.0(9) . .
F54X B51 F53Y 136.1(9) . .
F54Y B51 F53Y 114.5(8) . .
F55Y B51 F53Y 110.0(8) . .
F54X B51 F52X 112.4(8) . .
F54Y B51 F52X 116.9(9) . .
F55Y B51 F52X 120.1(9) . .
F53Y B51 F52X 23.7(5) . .
F54X B51 F55X 116.8(9) . .
F54Y B51 F55X 115.0(9) . .
F55Y B51 F55X 23.3(6) . .
F53Y B51 F55X 95.0(8) . .
F52X B51 F55X 112.2(8) . .
F54X B51 F53X 108.3(8) . .
F54Y B51 F53X 28.2(5) . .
F55Y B51 F53X 117.1(8) . .
F53Y B51 F53X 92.6(7) . .
F52X B51 F53X 104.0(8) . .
F55X B51 F53X 101.5(8) . .
F54X B51 F52Y 34.3(5) . .
F54Y B51 F52Y 104.4(8) . .
F55Y B51 F52Y 102.3(8) . .
F53Y B51 F52Y 103.2(7) . .
F52X B51 F52Y 79.9(7) . .
F55X B51 F52Y 124.2(8) . .
F53X B51 F52Y 129.2(8) . .
F62 B61 F62 108.70(17) 3_566 .
F62 B61 F62 108.70(17) 3_566 2_665
F62 B61 F62 111.0(4) . 2_665
F62 B61 F62 111.0(4) 3_566 4_656
F62 B61 F62 108.70(18) . 4_656
F62 B61 F62 108.70(17) 2_665 4_656
F72 B71 F72 109.2(2) 3_565 .
F72 B71 F72 109.9(4) 3_565 4_655
F72 B71 F72 109.2(2) . 4_655
F72 B71 F72 109.2(2) 3_565 2_665
F72 B71 F72 109.9(4) . 2_665
F72 B71 F72 109.2(2) 4_655 2_665
N12S C11S H11A 109.5 . .
N12S C11S H11B 109.5 . .
H11A C11S H11B 109.5 . .
N12S C11S H11C 109.5 . .
H11A C11S H11C 109.5 . .
H11B C11S H11C 109.5 . .
O13S N12S O14S 124.9(7) . .
O13S N12S C11S 113.5(7) . .
O14S N12S C11S 121.5(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N11B 2.002(3) .
Cu1 N11A 2.019(3) .
Cu1 N22A 2.043(3) .
Cu1 N11C 2.051(4) .
Cu1 N22B 2.30(2) 2_665
Cu1 N22C 2.327(4) .
Cu2 N31B 2.016(3) .
Cu2 N31A 2.022(3) .
Cu2 N42B 2.042(3) .
Cu2 N11D 2.084(3) .
Cu2 N42A 2.241(3) .
Cu2 N22D 2.331(3) .
Cu3 N11F 2.017(3) .
Cu3 N22E 2.026(3) .
Cu3 N11E 2.026(3) .
Cu3 N31D 2.037(4) .
Cu3 N22F 2.258(3) .
Cu3 N42D 2.340(4) .
Cu4 N31F 1.986(3) .
Cu4 N31E 2.019(3) .
Cu4 N42F 2.053(3) .
Cu4 N31C 2.104(4) 2_665
Cu4 N42E 2.25(4) 2_665
Cu4 N42C 2.32(6) 2_665
N11A C12A 1.3900 .
N11A C16A 1.3900 .
C12A C13A 1.3900 .
C12A H12A 0.9500 .
C13A C14A 1.3900 .
C13A H13A 0.9500 .
C14A C15A 1.3900 .
C14A H14A 0.9500 .
C15A C16A 1.3900 .
C15A H15A 0.9500 .
C16A C23A 1.350(5) .
N21A C26A 1.373(8) .
N21A N22A 1.4200 .
N21A C25A 1.4200 .
N22A C23A 1.4200 .
C23A C24A 1.4200 .
C24A C25A 1.4200 .
C24A H24A 0.9500 .
C25A H25A 0.9500 .
C26A C51A 1.433(8) .
C26A H26A 0.9900 .
C26A H26B 0.9900 .
N31A C32A 1.3900 .
N31A C36A 1.3900 .
C32A C33A 1.3900 .
C32A H32A 0.9500 .
C33A C34A 1.3900 .
C33A H33A 0.9500 .
C34A C35A 1.3900 .
C34A H34A 0.9500 .
C35A C36A 1.3900 .
C35A H35A 0.9500 .
C36A C43A 1.359(5) .
N41A N42A 1.4200 .
N41A C45A 1.4200 .
N41A C46A 1.443(8) .
N42A C43A 1.4200 .
C43A C44A 1.4200 .
C44A C45A 1.4200 .
C44A H44A 0.9500 .
C45A H45A 0.9500 .
C46A C54A 1.445(8) .
C46A H46A 0.9900 .
C46A H46B 0.9900 .
C51A C52A 1.4200 .
C51A O55A 1.4200 .
C52A C53A 1.4200 .
C52A H52A 0.9500 .
C53A C54A 1.4200 .
C53A H53A 0.9500 .
C54A O55A 1.4200 .
N11B C12B 1.3900 .
N11B C16B 1.3900 .
C12B C13B 1.3900 .
C12B H12B 0.9500 .
C13B C14B 1.3900 .
C13B H13B 0.9500 .
C14B C15B 1.3900 .
C14B H14B 0.9500 .
C15B C16B 1.3900 .
C15B H15B 0.9500 .
C16B C23B 1.35(2) 2_665
N21B C26B 1.358(8) .
N21B N22B 1.4200 .
N21B C25B 1.4200 .
N22B C23B 1.4200 .
N22B Cu1 2.297(4) 2_665
C23B C16B 1.35(2) 2_665
C23B C24B 1.4200 .
C24B C25B 1.4200 .
C24B H24B 0.9500 .
C25B H25B 0.9500 .
C26B C51B 1.431(9) .
C26B H26C 0.9900 .
C26B H26D 0.9900 .
N31B C32B 1.3900 .
N31B C36B 1.3900 .
C32B C33B 1.3900 .
C32B H32B 0.9500 .
C33B C34B 1.3900 .
C33B H33B 0.9500 .
C34B C35B 1.3900 .
C34B H34B 0.9500 .
C35B C36B 1.3900 .
C35B H35B 0.9500 .
C36B C43B 1.346(5) .
N41B C46B 1.364(9) .
N41B N42B 1.4200 .
N41B C45B 1.4200 .
N42B C43B 1.4200 .
C43B C44B 1.4200 .
C44B C45B 1.4200 .
C44B H44B 0.9500 .
C45B H45B 0.9500 .
C46B C54B 1.401(8) .
C46B H46C 0.9900 .
C46B H46D 0.9900 .
C51B C52B 1.4200 .
C51B O55B 1.4200 .
C52B C53B 1.4200 .
C52B H52B 0.9500 .
C53B C54B 1.4200 .
C53B H53B 0.9500 .
C54B O55B 1.4200 .
N11C C12C 1.3900 .
N11C C16C 1.3900 .
C12C C13C 1.3900 .
C12C H12C 0.9500 .
C13C C14C 1.3900 .
C13C H13C 0.9500 .
C14C C15C 1.3900 .
C14C H14C 0.9500 .
C15C C16C 1.3900 .
C15C H15C 0.9500 .
C16C C23C 1.328(6) .
N21C C26C 1.370(10) .
N21C N22C 1.4200 .
N21C C25C 1.4200 .
N22C C23C 1.4200 .
C23C C24C 1.4200 .
C24C C25C 1.4200 .
C24C H24C 0.9500 .
C25C H25C 0.9500 .
C26C C51C 1.498(10) .
C26C H26E 0.9900 .
C26C H26F 0.9900 .
N31C C32C 1.3900 .
N31C C36C 1.3900 .
N31C Cu4 2.104(4) 2_665
C32C C33C 1.3900 .
C32C H32C 0.9500 .
C33C C34C 1.3900 .
C33C H33C 0.9500 .
C34C C35C 1.3900 .
C34C H34C 0.9500 .
C35C C36C 1.3900 .
C35C H35C 0.9500 .
C36C C43C 1.354(8) .
N41C C46C 1.395(11) .
N41C N42C 1.4200 .
N41C C45C 1.4200 .
N42C C43C 1.4200 .
N42C Cu4 2.324(4) 2_665
C43C C44C 1.4200 .
C44C C45C 1.4200 .
C44C H44C 0.9500 .
C45C H45C 0.9500 .
C46C C54C 1.396(10) .
C46C H46E 0.9900 .
C46C H46F 0.9900 .
C51C C52C 1.4200 .
C51C O55C 1.4200 .
C52C C53C 1.4200 .
C52C H52C 0.9500 .
C53C C54C 1.4200 .
C53C H53C 0.9500 .
C54C O55C 1.4200 .
N11D C12D 1.3900 .
N11D C16D 1.3900 .
C12D C13D 1.3900 .
C12D H12D 0.9500 .
C13D C14D 1.3900 .
C13D H13D 0.9500 .
C14D C15D 1.3900 .
C14D H14D 0.9500 .
C15D C16D 1.3900 .
C15D H15D 0.9500 .
C16D C23D 1.347(5) .
N21D C26D 1.400(8) .
N21D N22D 1.4200 .
N21D C25D 1.4200 .
N22D C23D 1.4200 .
C23D C24D 1.4200 .
C24D C25D 1.4200 .
C24D H24D 0.9500 .
C25D H25D 0.9500 .
C26D C51D 1.442(8) .
C26D H26G 0.9900 .
C26D H26H 0.9900 .
N31D C32D 1.3900 .
N31D C36D 1.3900 .
C32D C33D 1.3900 .
C32D H32D 0.9500 .
C33D C34D 1.3900 .
C33D H33D 0.9500 .
C34D C35D 1.3900 .
C34D H34D 0.9500 .
C35D C36D 1.3900 .
C35D H35D 0.9500 .
C36D C43D 1.337(6) .
N41D C45D 1.4200 .
N41D N42D 1.4200 .
N41D C46D 1.420(9) .
N42D C43D 1.4200 .
C43D C44D 1.4200 .
C44D C45D 1.4200 .
C44D H44D 0.9500 .
C45D H45D 0.9500 .
C46D C54D 1.446(8) .
C46D H46G 0.9900 .
C46D H46H 0.9900 .
C51D C52D 1.4200 .
C51D O55D 1.4200 .
C52D C53D 1.4200 .
C52D H52D 0.9500 .
C53D C54D 1.4200 .
C53D H53D 0.9500 .
C54D O55D 1.4200 .
N11E C12E 1.3900 .
N11E C16E 1.3900 .
C12E C13E 1.3900 .
C12E H12E 0.9500 .
C13E C14E 1.3900 .
C13E H13E 0.9500 .
C14E C15E 1.3900 .
C14E H14E 0.9500 .
C15E C16E 1.3900 .
C15E H15E 0.9500 .
C16E C23E 1.360(6) .
N21E N22E 1.4200 .
N21E C25E 1.4200 .
N21E C26E 1.421(9) .
N22E C23E 1.4200 .
C23E C24E 1.4200 .
C24E C25E 1.4200 .
C24E H24E 0.9500 .
C25E H25E 0.9500 .
C26E C51E 1.449(8) .
C26E H26I 0.9900 .
C26E H26J 0.9900 .
N31E C32E 1.3900 .
N31E C36E 1.3900 .
C32E C33E 1.3900 .
C32E H32E 0.9500 .
C33E C34E 1.3900 .
C33E H33E 0.9500 .
C34E C35E 1.3900 .
C34E H34E 0.9500 .
C35E C36E 1.3900 .
C35E H35E 0.9500 .
C36E C43E 1.36(4) 2_665
N41E C46E 1.385(9) .
N41E N42E 1.4200 .
N41E C45E 1.4200 .
N42E C43E 1.4200 .
N42E Cu4 2.249(4) 2_665
C43E C36E 1.36(3) 2_665
C43E C44E 1.4200 .
C44E C45E 1.4200 .
C44E H44E 0.9500 .
C45E H45E 0.9500 .
C46E C54E 1.454(9) .
C46E H46I 0.9900 .
C46E H46J 0.9900 .
C51E O55E 1.4200 .
C51E C52E 1.4200 .
C52E C53E 1.4200 .
C52E H52E 0.9500 .
C53E C54E 1.4200 .
C53E H53E 0.9500 .
C54E O55E 1.4200 .
N11F C12F 1.3900 .
N11F C16F 1.3900 .
C12F C13F 1.3900 .
C12F H12F 0.9500 .
C13F C14F 1.3900 .
C13F H13F 0.9500 .
C14F C15F 1.3900 .
C14F H14F 0.9500 .
C15F C16F 1.3900 .
C15F H15F 0.9500 .
C16F C23F 1.357(5) .
N21F C26F 1.381(9) .
N21F C25F 1.4200 .
N21F N22F 1.4200 .
N22F C23F 1.4200 .
C23F C24F 1.4200 .
C24F C25F 1.4200 .
C24F H24F 0.9500 .
C25F H25F 0.9500 .
C26F C51F 1.399(10) .
C26F H26K 0.9900 .
C26F H26L 0.9900 .
N31F C32F 1.3900 .
N31F C36F 1.3900 .
C32F C33F 1.3900 .
C32F H32F 0.9500 .
C33F C34F 1.3900 .
C33F H33F 0.9500 .
C34F C35F 1.3900 .
C34F H34F 0.9500 .
C35F C36F 1.3900 .
C35F H35F 0.9500 .
C36F C43F 1.334(5) .
N41F C46F 1.385(8) .
N41F C45F 1.4200 .
N41F N42F 1.4200 .
N42F C43F 1.4200 .
C43F C44F 1.4200 .
C44F C45F 1.4200 .
C44F H44F 0.9500 .
C45F H45F 0.9500 .
C46F C54F 1.472(9) .
C46F H46K 0.9900 .
C46F H46L 0.9900 .
C51F C52F 1.4200 .
C51F O55F 1.4200 .
C52F C53F 1.4200 .
C52F H52F 0.9500 .
C53F C54F 1.4200 .
C53F H53F 0.9500 .
C54F O55F 1.4200 .
B11X F13X 1.378(2) .
B11X F13X 1.378(2) 2_665
B11X F15X 1.379(2) 2_665
B11X F15X 1.379(2) .
B11X F12X 1.379(2) .
B11X F14X 1.380(2) .
B11X F14X 1.380(2) 2_665
F13X F14X 1.281(2) .
F13X F15X 1.303(7) 2_665
F14X F15X 1.282(2) .
F15X F13X 1.303(7) 2_665
B11Y F15Y 1.382(2) 2_665
B11Y F15Y 1.382(2) .
B11Y F14Y 1.382(2) .
B11Y F14Y 1.382(2) 2_665
B11Y F12Y 1.383(2) .
B11Y F13Y 1.384(2) .
B11Y F13Y 1.384(2) 2_665
F13Y F14Y 1.276(2) .
F13Y F15Y 1.339(7) 2_665
F14Y F15Y 1.278(2) .
F15Y F13Y 1.339(7) 2_665
B21 F24X 1.304(12) .
B21 F22 1.354(10) .
B21 F23X 1.372(12) .
B21 F24Y 1.388(12) .
B21 F25Y 1.409(12) .
B21 F25X 1.422(12) .
B21 F23Y 1.495(12) .
B31 F33 1.354(10) .
B31 F35 1.376(10) .
B31 F32 1.386(10) .
B31 F34 1.408(10) .
B41 F45Y 1.308(14) .
B41 F45X 1.362(11) .
B41 F42 1.371(10) .
B41 F43Y 1.374(14) .
B41 F44X 1.389(12) .
B41 F43X 1.409(11) .
B41 F44Y 1.454(14) .
B51 F54X 1.300(11) .
B51 F54Y 1.321(11) .
B51 F55Y 1.339(11) .
B51 F53Y 1.368(11) .
B51 F52X 1.385(11) .
B51 F55X 1.403(12) .
B51 F53X 1.482(12) .
B51 F52Y 1.516(11) .
B61 F62 1.385(4) 3_566
B61 F62 1.385(4) .
B61 F62 1.385(4) 2_665
B61 F62 1.385(4) 4_656
B71 F72 1.405(5) 3_565
B71 F72 1.405(5) .
B71 F72 1.405(5) 4_655
B71 F72 1.405(5) 2_665
C11S N12S 1.511(12) .
C11S H11A 0.9800 .
C11S H11B 0.9800 .
C11S H11C 0.9800 .
N12S O13S 1.206(8) .
N12S O14S 1.215(8) .
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
N11B Cu1 N11A C12A -103(2) . .
N22A Cu1 N11A C12A 175.6(3) . .
N11C Cu1 N11A C12A 3.6(3) . .
N22B Cu1 N11A C12A -92.0(6) 2_665 .
N22C Cu1 N11A C12A 79.0(3) . .
N11B Cu1 N11A C16A 78(2) . .
N22A Cu1 N11A C16A -3.7(2) . .
N11C Cu1 N11A C16A -175.7(2) . .
N22B Cu1 N11A C16A 88.7(6) 2_665 .
N22C Cu1 N11A C16A -100.3(3) . .
C16A N11A C12A C13A 0.0 . .
Cu1 N11A C12A C13A -179.3(3) . .
N11A C12A C13A C14A 0.0 . .
C12A C13A C14A C15A 0.0 . .
C13A C14A C15A C16A 0.0 . .
C14A C15A C16A C23A 178.0(5) . .
C14A C15A C16A N11A 0.0 . .
C12A N11A C16A C23A -178.1(5) . .
Cu1 N11A C16A C23A 1.2(4) . .
C12A N11A C16A C15A 0.0 . .
Cu1 N11A C16A C15A 179.3(3) . .
C26A N21A N22A C23A 178.6(6) . .
C25A N21A N22A C23A 0.0 . .
C26A N21A N22A Cu1 6.7(7) . .
C25A N21A N22A Cu1 -171.9(5) . .
N11B Cu1 N22A N21A 2.2(4) . .
N11A Cu1 N22A N21A 177.1(5) . .
N11C Cu1 N22A N21A -132.4(10) . .
N22B Cu1 N22A N21A 79.8(9) 2_665 .
N22C Cu1 N22A N21A -95.5(4) . .
N11B Cu1 N22A C23A -169.5(2) . .
N11A Cu1 N22A C23A 5.4(3) . .
N11C Cu1 N22A C23A 55.8(11) . .
N22B Cu1 N22A C23A -91.9(8) 2_665 .
N22C Cu1 N22A C23A 92.7(3) . .
C15A C16A C23A C24A 4.2(7) . .
N11A C16A C23A C24A -177.7(4) . .
C15A C16A C23A N22A -174.4(3) . .
N11A C16A C23A N22A 3.7(5) . .
N21A N22A C23A C16A 178.9(5) . .
Cu1 N22A C23A C16A -6.6(4) . .
N21A N22A C23A C24A 0.0 . .
Cu1 N22A C23A C24A 174.4(3) . .
C16A C23A C24A C25A -178.7(6) . .
N22A C23A C24A C25A 0.0 . .
C23A C24A C25A N21A 0.0 . .
C26A N21A C25A C24A -178.5(6) . .
N22A N21A C25A C24A 0.0 . .
N22A N21A C26A C51A -85.2(7) . .
C25A N21A C26A C51A 93.1(6) . .
N31B Cu2 N31A C32A 149(4) . .
N42B Cu2 N31A C32A -86.5(3) . .
N11D Cu2 N31A C32A 86.2(3) . .
N42A Cu2 N31A C32A -178.9(3) . .
N22D Cu2 N31A C32A 11.2(3) . .
N31B Cu2 N31A C36A -20(5) . .
N42B Cu2 N31A C36A 104.0(2) . .
N11D Cu2 N31A C36A -83.3(2) . .
N42A Cu2 N31A C36A 11.6(2) . .
N22D Cu2 N31A C36A -158.3(2) . .
C36A N31A C32A C33A 0.0 . .
Cu2 N31A C32A C33A -169.2(3) . .
N31A C32A C33A C34A 0.0 . .
C32A C33A C34A C35A 0.0 . .
C33A C34A C35A C36A 0.0 . .
C34A C35A C36A C43A 179.8(5) . .
C34A C35A C36A N31A 0.0 . .
C32A N31A C36A C43A -179.8(5) . .
Cu2 N31A C36A C43A -10.1(4) . .
C32A N31A C36A C35A 0.0 . .
Cu2 N31A C36A C35A 169.7(3) . .
C45A N41A N42A C43A 0.0 . .
C46A N41A N42A C43A 172.7(5) . .
C45A N41A N42A Cu2 159.3(5) . .
C46A N41A N42A Cu2 -28.1(7) . .
N31B Cu2 N42A N41A 8.3(4) . .
N31A Cu2 N42A N41A -170.5(4) . .
N42B Cu2 N42A N41A 89.3(4) . .
N11D Cu2 N42A N41A -86.3(4) . .
N22D Cu2 N42A N41A -120.9(7) . .
N31B Cu2 N42A C43A 167.5(2) . .
N31A Cu2 N42A C43A -11.3(2) . .
N42B Cu2 N42A C43A -111.5(2) . .
N11D Cu2 N42A C43A 72.9(3) . .
N22D Cu2 N42A C43A 38.3(8) . .
C35A C36A C43A C44A -5.6(7) . .
N31A C36A C43A C44A 174.2(4) . .
C35A C36A C43A N42A 179.1(3) . .
N31A C36A C43A N42A -1.1(5) . .
N41A N42A C43A C36A 176.5(5) . .
Cu2 N42A C43A C36A 10.1(4) . .
N41A N42A C43A C44A 0.0 . .
Cu2 N42A C43A C44A -166.4(3) . .
C36A C43A C44A C45A -175.6(6) . .
N42A C43A C44A C45A 0.0 . .
C43A C44A C45A N41A 0.0 . .
N42A N41A C45A C44A 0.0 . .
C46A N41A C45A C44A -171.7(6) . .
N42A N41A C46A C54A -80.7(6) . .
C45A N41A C46A C54A 90.1(6) . .
N21A C26A C51A C52A -0.4(9) . .
N21A C26A C51A O55A 175.1(4) . .
O55A C51A C52A C53A 0.0 . .
C26A C51A C52A C53A 175.7(7) . .
C51A C52A C53A C54A 0.0 . .
C52A C53A C54A O55A 0.0 . .
C52A C53A C54A C46A 179.7(7) . .
N41A C46A C54A O55A 138.4(5) . .
N41A C46A C54A C53A -41.3(8) . .
C53A C54A O55A C51A 0.0 . .
C46A C54A O55A C51A -179.8(5) . .
C52A C51A O55A C54A 0.0 . .
C26A C51A O55A C54A -176.7(5) . .
N11A Cu1 N11B C12B -166.2(19) . .
N22A Cu1 N11B C12B -85.6(3) . .
N11C Cu1 N11B C12B 87.0(3) . .
N22B Cu1 N11B C12B -177.4(6) 2_665 .
N22C Cu1 N11B C12B 11.7(3) . .
N11A Cu1 N11B C16B 15(2) . .
N22A Cu1 N11B C16B 95.3(3) . .
N11C Cu1 N11B C16B -92.1(3) . .
N22B Cu1 N11B C16B 3.5(6) 2_665 .
N22C Cu1 N11B C16B -167.4(3) . .
C16B N11B C12B C13B 0.0 . .
Cu1 N11B C12B C13B -179.1(3) . .
N11B C12B C13B C14B 0.0 . .
C12B C13B C14B C15B 0.0 . .
C13B C14B C15B C16B 0.0 . .
C14B C15B C16B C23B 179.3(12) . 2_665
C14B C15B C16B N11B 0.0 . .
C12B N11B C16B C23B -179.3(12) . 2_665
Cu1 N11B C16B C23B -0.2(12) . 2_665
C12B N11B C16B C15B 0.0 . .
Cu1 N11B C16B C15B 179.1(3) . .
C26B N21B N22B C23B 172.5(6) . .
C25B N21B N22B C23B 0.0 . .
C26B N21B N22B Cu1 -16.1(8) . 2_665
C25B N21B N22B Cu1 171.4(6) . 2_665
N21B N22B C23B C16B -177.1(16) . 2_665
Cu1 N22B C23B C16B 8.1(16) 2_665 2_665
N21B N22B C23B C24B 0.0 . .
Cu1 N22B C23B C24B -174.9(3) 2_665 .
C16B C23B C24B C25B 176.6(19) 2_665 .
N22B C23B C24B C25B 0.0 . .
C23B C24B C25B N21B 0.0 . .
C26B N21B C25B C24B -171.2(7) . .
N22B N21B C25B C24B 0.0 . .
N22B N21B C26B C51B -86.0(7) . .
C25B N21B C26B C51B 84.4(8) . .
N31A Cu2 N31B C32B -53(5) . .
N42B Cu2 N31B C32B -177.5(3) . .
N11D Cu2 N31B C32B 9.9(3) . .
N42A Cu2 N31B C32B -84.6(3) . .
N22D Cu2 N31B C32B 85.2(3) . .
N31A Cu2 N31B C36B 128(4) . .
N42B Cu2 N31B C36B 3.6(2) . .
N11D Cu2 N31B C36B -168.9(2) . .
N42A Cu2 N31B C36B 96.6(2) . .
N22D Cu2 N31B C36B -93.7(2) . .
C36B N31B C32B C33B 0.0 . .
Cu2 N31B C32B C33B -178.8(3) . .
N31B C32B C33B C34B 0.0 . .
C32B C33B C34B C35B 0.0 . .
C33B C34B C35B C36B 0.0 . .
C34B C35B C36B C43B 179.6(5) . .
C34B C35B C36B N31B 0.0 . .
C32B N31B C36B C43B -179.6(4) . .
Cu2 N31B C36B C43B -0.7(4) . .
C32B N31B C36B C35B 0.0 . .
Cu2 N31B C36B C35B 178.9(3) . .
C46B N41B N42B C43B 172.3(6) . .
C45B N41B N42B C43B 0.0 . .
C46B N41B N42B Cu2 -15.7(7) . .
C45B N41B N42B Cu2 172.0(4) . .
N31B Cu2 N42B C43B -5.6(2) . .
N31A Cu2 N42B C43B 176.2(2) . .
N11D Cu2 N42B C43B 46.3(12) . .
N42A Cu2 N42B C43B -106.0(2) . .
N22D Cu2 N42B C43B 80.7(2) . .
N31B Cu2 N42B N41B -177.4(4) . .
N31A Cu2 N42B N41B 4.4(4) . .
N11D Cu2 N42B N41B -125.5(10) . .
N42A Cu2 N42B N41B 82.2(4) . .
N22D Cu2 N42B N41B -91.1(4) . .
C35B C36B C43B C44B -1.7(7) . .
N31B C36B C43B C44B 177.9(3) . .
C35B C36B C43B N42B 175.9(3) . .
N31B C36B C43B N42B -4.5(5) . .
N41B N42B C43B C36B -178.1(5) . .
Cu2 N42B C43B C36B 7.3(4) . .
N41B N42B C43B C44B 0.0 . .
Cu2 N42B C43B C44B -174.6(3) . .
C36B C43B C44B C45B 177.7(6) . .
N42B C43B C44B C45B 0.0 . .
C43B C44B C45B N41B 0.0 . .
C46B N41B C45B C44B -171.8(6) . .
N42B N41B C45B C44B 0.0 . .
N42B N41B C46B C54B -80.1(7) . .
C45B N41B C46B C54B 90.6(7) . .
N21B C26B C51B C52B -29.6(10) . .
N21B C26B C51B O55B 149.8(5) . .
O55B C51B C52B C53B 0.0 . .
C26B C51B C52B C53B 179.4(7) . .
C51B C52B C53B C54B 0.0 . .
N41B C46B C54B O55B 140.2(5) . .
N41B C46B C54B C53B -39.8(9) . .
C52B C53B C54B C46B -180.0(6) . .
C52B C53B C54B O55B 0.0 . .
C46B C54B O55B C51B 180.0(5) . .
C53B C54B O55B C51B 0.0 . .
C52B C51B O55B C54B 0.0 . .
C26B C51B O55B C54B -179.6(5) . .
N11B Cu1 N11C C12C 81.9(3) . .
N11A Cu1 N11C C12C -93.2(3) . .
N22A Cu1 N11C C12C -142.8(10) . .
N22B Cu1 N11C C12C 4.9(8) 2_665 .
N22C Cu1 N11C C12C 179.1(3) . .
N11B Cu1 N11C C16C -93.2(3) . .
N11A Cu1 N11C C16C 91.6(3) . .
N22A Cu1 N11C C16C 42.1(11) . .
N22B Cu1 N11C C16C -170.2(8) 2_665 .
N22C Cu1 N11C C16C 4.0(3) . .
C16C N11C C12C C13C 0.0 . .
Cu1 N11C C12C C13C -175.1(3) . .
N11C C12C C13C C14C 0.0 . .
C12C C13C C14C C15C 0.0 . .
C13C C14C C15C C16C 0.0 . .
C14C C15C C16C C23C -178.5(6) . .
C14C C15C C16C N11C 0.0 . .
C12C N11C C16C C23C 178.6(6) . .
Cu1 N11C C16C C23C -6.2(5) . .
C12C N11C C16C C15C 0.0 . .
Cu1 N11C C16C C15C 175.2(3) . .
C26C N21C N22C C23C 174.2(7) . .
C25C N21C N22C C23C 0.0 . .
C26C N21C N22C Cu1 -5.8(9) . .
C25C N21C N22C Cu1 -180.0(7) . .
N11B Cu1 N22C C23C 85.2(3) . .
N11A Cu1 N22C C23C -95.0(3) . .
N22A Cu1 N22C C23C -175.0(3) . .
N11C Cu1 N22C C23C -1.5(3) . .
N22B Cu1 N22C C23C 30(4) 2_665 .
N11B Cu1 N22C N21C -94.8(6) . .
N11A Cu1 N22C N21C 85.0(6) . .
N22A Cu1 N22C N21C 4.9(6) . .
N11C Cu1 N22C N21C 178.5(6) . .
N22B Cu1 N22C N21C -150(4) 2_665 .
C15C C16C C23C N22C -176.7(4) . .
N11C C16C C23C N22C 4.7(7) . .
C15C C16C C23C C24C 1.7(8) . .
N11C C16C C23C C24C -176.9(4) . .
N21C N22C C23C C16C 178.7(7) . .
Cu1 N22C C23C C16C -1.3(6) . .
N21C N22C C23C C24C 0.0 . .
Cu1 N22C C23C C24C 180.0(4) . .
C16C C23C C24C C25C -178.6(7) . .
N22C C23C C24C C25C 0.0 . .
C26C N21C C25C C24C -173.7(8) . .
N22C N21C C25C C24C 0.0 . .
C23C C24C C25C N21C 0.0 . .
N22C N21C C26C C51C -106.8(7) . .
C25C N21C C26C C51C 66.0(9) . .
C36C N31C C32C C33C 0.0 . .
Cu4 N31C C32C C33C -166.2(4) 2_665 .
N31C C32C C33C C34C 0.0 . .
C32C C33C C34C C35C 0.0 . .
C33C C34C C35C C36C 0.0 . .
C34C C35C C36C C43C -176.1(7) . .
C34C C35C C36C N31C 0.0 . .
C32C N31C C36C C43C 176.2(6) . .
Cu4 N31C C36C C43C -16.8(6) 2_665 .
C32C N31C C36C C35C 0.0 . .
Cu4 N31C C36C C35C 167.0(4) 2_665 .
C46C N41C N42C C43C 166.9(7) . .
C45C N41C N42C C43C 0.0 . .
C46C N41C N42C Cu4 -26.6(10) . 2_665
C45C N41C N42C Cu4 166.4(7) . 2_665
C35C C36C C43C C44C 0.3(9) . .
N31C C36C C43C C44C -175.8(5) . .
C35C C36C C43C N42C -179.3(4) . .
N31C C36C C43C N42C 4.5(8) . .
N41C N42C C43C C36C 179.7(7) . .
Cu4 N42C C43C C36C 8.2(6) 2_665 .
N41C N42C C43C C44C 0.0 . .
Cu4 N42C C43C C44C -171.6(4) 2_665 .
C36C C43C C44C C45C -179.7(8) . .
N42C C43C C44C C45C 0.0 . .
C43C C44C C45C N41C 0.0 . .
C46C N41C C45C C44C -166.3(7) . .
N42C N41C C45C C44C 0.0 . .
N42C N41C C46C C54C -74.9(9) . .
C45C N41C C46C C54C 89.5(8) . .
N21C C26C C51C C52C -79.0(8) . .
N21C C26C C51C O55C 101.1(7) . .
O55C C51C C52C C53C 0.0 . .
C26C C51C C52C C53C -179.9(7) . .
C51C C52C C53C C54C 0.0 . .
N41C C46C C54C O55C -175.1(5) . .
N41C C46C C54C C53C 2.4(11) . .
C52C C53C C54C C46C -177.7(9) . .
C52C C53C C54C O55C 0.0 . .
C46C C54C O55C C51C 178.3(7) . .
C53C C54C O55C C51C 0.0 . .
C52C C51C O55C C54C 0.0 . .
C26C C51C O55C C54C 179.9(6) . .
N31B Cu2 N11D C12D -89.8(3) . .
N31A Cu2 N11D C12D 88.2(3) . .
N42B Cu2 N11D C12D -140.8(10) . .
N42A Cu2 N11D C12D 11.5(3) . .
N22D Cu2 N11D C12D -176.2(3) . .
N31B Cu2 N11D C16D 94.5(3) . .
N31A Cu2 N11D C16D -87.5(3) . .
N42B Cu2 N11D C16D 43.4(12) . .
N42A Cu2 N11D C16D -164.3(3) . .
N22D Cu2 N11D C16D 8.0(3) . .
C16D N11D C12D C13D 0.0 . .
Cu2 N11D C12D C13D -175.7(4) . .
N11D C12D C13D C14D 0.0 . .
C12D C13D C14D C15D 0.0 . .
C13D C14D C15D C16D 0.0 . .
C14D C15D C16D C23D -179.4(6) . .
C14D C15D C16D N11D 0.0 . .
C12D N11D C16D C23D 179.4(6) . .
Cu2 N11D C16D C23D -4.7(6) . .
C12D N11D C16D C15D 0.0 . .
Cu2 N11D C16D C15D 175.8(4) . .
C26D N21D N22D C23D 172.0(6) . .
C25D N21D N22D C23D 0.0 . .
C26D N21D N22D Cu2 -22.0(8) . .
C25D N21D N22D Cu2 166.0(6) . .
N31B Cu2 N22D N21D 89.7(5) . .
N31A Cu2 N22D N21D -91.8(5) . .
N42B Cu2 N22D N21D 9.8(5) . .
N11D Cu2 N22D N21D -175.7(6) . .
N42A Cu2 N22D N21D -139.9(7) . .
N31B Cu2 N22D C23D -104.3(3) . .
N31A Cu2 N22D C23D 74.3(3) . .
N42B Cu2 N22D C23D 175.9(3) . .
N11D Cu2 N22D C23D -9.7(3) . .
N42A Cu2 N22D C23D 26.2(8) . .
C15D C16D C23D C24D -2.7(8) . .
N11D C16D C23D C24D 177.9(4) . .
C15D C16D C23D N22D 173.9(4) . .
N11D C16D C23D N22D -5.5(8) . .
N21D N22D C23D C16D -177.3(7) . .
Cu2 N22D C23D C16D 11.2(6) . .
N21D N22D C23D C24D 0.0 . .
Cu2 N22D C23D C24D -171.4(4) . .
C16D C23D C24D C25D 177.0(8) . .
N22D C23D C24D C25D 0.0 . .
C23D C24D C25D N21D 0.0 . .
C26D N21D C25D C24D -171.0(7) . .
N22D N21D C25D C24D 0.0 . .
N22D N21D C26D C51D -81.0(7) . .
C25D N21D C26D C51D 89.0(7) . .
N11F Cu3 N31D C32D 90.0(4) . .
N22E Cu3 N31D C32D -139.8(10) . .
N11E Cu3 N31D C32D -86.5(4) . .
N22F Cu3 N31D C32D 12.2(4) . .
N42D Cu3 N31D C32D -174.9(4) . .
N11F Cu3 N31D C36D -84.3(3) . .
N22E Cu3 N31D C36D 45.9(12) . .
N11E Cu3 N31D C36D 99.2(3) . .
N22F Cu3 N31D C36D -162.1(3) . .
N42D Cu3 N31D C36D 10.8(3) . .
C36D N31D C32D C33D 0.0 . .
Cu3 N31D C32D C33D -174.2(4) . .
N31D C32D C33D C34D 0.0 . .
C32D C33D C34D C35D 0.0 . .
C33D C34D C35D C36D 0.0 . .
C34D C35D C36D C43D -178.9(7) . .
C34D C35D C36D N31D 0.0 . .
C32D N31D C36D C43D 178.9(7) . .
Cu3 N31D C36D C43D -6.6(6) . .
C32D N31D C36D C35D 0.0 . .
Cu3 N31D C36D C35D 174.5(4) . .
C45D N41D N42D C43D 0.0 . .
C46D N41D N42D C43D 175.1(6) . .
C45D N41D N42D Cu3 148.0(5) . .
C46D N41D N42D Cu3 -37.0(8) . .
N11F Cu3 N42D N41D -74.8(5) . .
N22E Cu3 N42D N41D 25.0(5) . .
N11E Cu3 N42D N41D 105.5(5) . .
N31D Cu3 N42D N41D -161.4(5) . .
N22F Cu3 N42D N41D -125.2(8) . .
N11F Cu3 N42D C43D 73.6(3) . .
N22E Cu3 N42D C43D 173.4(3) . .
N11E Cu3 N42D C43D -106.1(3) . .
N31D Cu3 N42D C43D -12.9(3) . .
N22F Cu3 N42D C43D 23.2(9) . .
C35D C36D C43D C44D -15.6(8) . .
N31D C36D C43D C44D 165.5(5) . .
C35D C36D C43D N42D 171.8(4) . .
N31D C36D C43D N42D -7.0(8) . .
N41D N42D C43D C36D 174.2(7) . .
Cu3 N42D C43D C36D 14.5(6) . .
N41D N42D C43D C44D 0.0 . .
Cu3 N42D C43D C44D -159.7(4) . .
C36D C43D C44D C45D -173.2(8) . .
N42D C43D C44D C45D 0.0 . .
C43D C44D C45D N41D 0.0 . .
N42D N41D C45D C44D 0.0 . .
C46D N41D C45D C44D -174.6(7) . .
C45D N41D C46D C54D 82.0(7) . .
N42D N41D C46D C54D -91.9(7) . .
N21D C26D C51D C52D 8.1(9) . .
N21D C26D C51D O55D -175.7(4) . .
O55D C51D C52D C53D 0.0 . .
C26D C51D C52D C53D 176.4(7) . .
C51D C52D C53D C54D 0.0 . .
C52D C53D C54D O55D 0.0 . .
C52D C53D C54D C46D -179.0(7) . .
N41D C46D C54D O55D 100.8(6) . .
N41D C46D C54D C53D -80.3(7) . .
C53D C54D O55D C51D 0.0 . .
C46D C54D O55D C51D 179.2(6) . .
C52D C51D O55D C54D 0.0 . .
C26D C51D O55D C54D -177.2(6) . .
N11F Cu3 N11E C12E -96(3) . .
N22E Cu3 N11E C12E 174.8(3) . .
N31D Cu3 N11E C12E 3.8(3) . .
N22F Cu3 N11E C12E -90.5(3) . .
N42D Cu3 N11E C12E 80.1(3) . .
N11F Cu3 N11E C16E 92(3) . .
N22E Cu3 N11E C16E 2.2(2) . .
N31D Cu3 N11E C16E -168.8(3) . .
N22F Cu3 N11E C16E 97.0(3) . .
N42D Cu3 N11E C16E -92.5(2) . .
C16E N11E C12E C13E 0.0 . .
Cu3 N11E C12E C13E -172.2(3) . .
N11E C12E C13E C14E 0.0 . .
C12E C13E C14E C15E 0.0 . .
C13E C14E C15E C16E 0.0 . .
C14E C15E C16E C23E 177.3(5) . .
C14E C15E C16E N11E 0.0 . .
C12E N11E C16E C23E -177.6(4) . .
Cu3 N11E C16E C23E -4.7(4) . .
C12E N11E C16E C15E 0.0 . .
Cu3 N11E C16E C15E 173.0(3) . .
C25E N21E N22E C23E 0.0 . .
C26E N21E N22E C23E -176.5(6) . .
C25E N21E N22E Cu3 -177.8(4) . .
C26E N21E N22E Cu3 5.7(7) . .
N11F Cu3 N22E C23E -176.0(2) . .
N11E Cu3 N22E C23E 0.5(2) . .
N31D Cu3 N22E C23E 54.7(11) . .
N22F Cu3 N22E C23E -97.2(2) . .
N42D Cu3 N22E C23E 88.8(3) . .
N11F Cu3 N22E N21E 1.8(4) . .
N11E Cu3 N22E N21E 178.2(4) . .
N31D Cu3 N22E N21E -127.5(11) . .
N22F Cu3 N22E N21E 80.5(4) . .
N42D Cu3 N22E N21E -93.4(4) . .
C15E C16E C23E N22E -172.1(3) . .
N11E C16E C23E N22E 5.3(5) . .
C15E C16E C23E C24E 5.4(7) . .
N11E C16E C23E C24E -177.1(3) . .
N21E N22E C23E C16E 178.1(5) . .
Cu3 N22E C23E C16E -3.4(4) . .
N21E N22E C23E C24E 0.0 . .
Cu3 N22E C23E C24E 178.5(3) . .
C16E C23E C24E C25E -177.8(6) . .
N22E C23E C24E C25E 0.0 . .
C23E C24E C25E N21E 0.0 . .
N22E N21E C25E C24E 0.0 . .
C26E N21E C25E C24E 176.1(7) . .
N22E N21E C26E C51E -80.2(7) . .
C25E N21E C26E C51E 104.2(6) . .
N31F Cu4 N31E C32E 152(3) . .
N42F Cu4 N31E C32E -83.9(3) . .
N31C Cu4 N31E C32E 87.3(3) 2_665 .
N42E Cu4 N31E C32E -177.8(6) 2_665 .
N42C Cu4 N31E C32E 12.3(13) 2_665 .
N31F Cu4 N31E C36E -14(3) . .
N42F Cu4 N31E C36E 110.0(2) . .
N31C Cu4 N31E C36E -78.8(3) 2_665 .
N42E Cu4 N31E C36E 16.2(5) 2_665 .
N42C Cu4 N31E C36E -153.7(13) 2_665 .
C36E N31E C32E C33E 0.0 . .
Cu4 N31E C32E C33E -165.6(3) . .
N31E C32E C33E C34E 0.0 . .
C32E C33E C34E C35E 0.0 . .
C33E C34E C35E C36E 0.0 . .
C34E C35E C36E C43E -178.1(9) . 2_665
C34E C35E C36E N31E 0.0 . .
C32E N31E C36E C43E 178.2(9) . 2_665
Cu4 N31E C36E C43E -15.5(8) . 2_665
C32E N31E C36E C35E 0.0 . .
Cu4 N31E C36E C35E 166.3(3) . .
C46E N41E N42E C43E 169.1(6) . .
C45E N41E N42E C43E 0.0 . .
C46E N41E N42E Cu4 -37.6(7) . 2_665
C45E N41E N42E Cu4 153.3(5) . 2_665
N41E N42E C43E C36E 173.7(13) . 2_665
Cu4 N42E C43E C36E 11.6(12) 2_665 2_665
N41E N42E C43E C44E 0.0 . .
Cu4 N42E C43E C44E -162.1(3) 2_665 .
C36E C43E C44E C45E -172.2(16) 2_665 .
N42E C43E C44E C45E 0.0 . .
C46E N41E C45E C44E -167.6(7) . .
N42E N41E C45E C44E 0.0 . .
C43E C44E C45E N41E 0.0 . .
N42E N41E C46E C54E -71.6(8) . .
C45E N41E C46E C54E 94.7(7) . .
N21E C26E C51E O55E 176.8(5) . .
N21E C26E C51E C52E -5.5(10) . .
O55E C51E C52E C53E 0.0 . .
C26E C51E C52E C53E -177.8(8) . .
C51E C52E C53E C54E 0.0 . .
C52E C53E C54E O55E 0.0 . .
C52E C53E C54E C46E -177.4(8) . .
N41E C46E C54E O55E 141.9(6) . .
N41E C46E C54E C53E -40.9(10) . .
C52E C51E O55E C54E 0.0 . .
C26E C51E O55E C54E 178.4(6) . .
C53E C54E O55E C51E 0.0 . .
C46E C54E O55E C51E 178.0(6) . .
N22E Cu3 N11F C12F -82.0(3) . .
N11E Cu3 N11F C12F -171(3) . .
N31D Cu3 N11F C12F 89.5(3) . .
N22F Cu3 N11F C12F -176.2(3) . .
N42D Cu3 N11F C12F 13.4(3) . .
N22E Cu3 N11F C16F 103.8(3) . .
N11E Cu3 N11F C16F 15(4) . .
N31D Cu3 N11F C16F -84.7(3) . .
N22F Cu3 N11F C16F 9.6(3) . .
N42D Cu3 N11F C16F -160.8(3) . .
C16F N11F C12F C13F 0.0 . .
Cu3 N11F C12F C13F -174.0(4) . .
N11F C12F C13F C14F 0.0 . .
C12F C13F C14F C15F 0.0 . .
C13F C14F C15F C16F 0.0 . .
C14F C15F C16F C23F -177.3(5) . .
C14F C15F C16F N11F 0.0 . .
C12F N11F C16F C23F 177.4(5) . .
Cu3 N11F C16F C23F -8.2(5) . .
C12F N11F C16F C15F 0.0 . .
Cu3 N11F C16F C15F 174.4(3) . .
C26F N21F N22F C23F 174.1(7) . .
C25F N21F N22F C23F 0.0 . .
C26F N21F N22F Cu3 -15.5(8) . .
C25F N21F N22F Cu3 170.4(6) . .
N11F Cu3 N22F C23F -9.5(3) . .
N22E Cu3 N22F C23F -107.8(3) . .
N11E Cu3 N22F C23F 170.9(3) . .
N31D Cu3 N22F C23F 77.4(3) . .
N42D Cu3 N22F C23F 42.3(9) . .
N11F Cu3 N22F N21F -179.9(5) . .
N22E Cu3 N22F N21F 81.8(5) . .
N11E Cu3 N22F N21F 0.4(5) . .
N31D Cu3 N22F N21F -93.0(5) . .
N42D Cu3 N22F N21F -128.1(8) . .
C15F C16F C23F N22F 176.0(3) . .
N11F C16F C23F N22F -1.4(6) . .
C15F C16F C23F C24F -0.3(7) . .
N11F C16F C23F C24F -177.7(4) . .
N21F N22F C23F C16F -177.2(6) . .
Cu3 N22F C23F C16F 8.7(5) . .
N21F N22F C23F C24F 0.0 . .
Cu3 N22F C23F C24F -174.2(3) . .
C16F C23F C24F C25F 176.6(7) . .
N22F C23F C24F C25F 0.0 . .
C26F N21F C25F C24F -173.3(7) . .
N22F N21F C25F C24F 0.0 . .
C23F C24F C25F N21F 0.0 . .
C25F N21F C26F C51F 89.0(7) . .
N22F N21F C26F C51F -83.5(7) . .
N31E Cu4 N31F C32F -56(3) . .
N42F Cu4 N31F C32F -180.0(3) . .
N31C Cu4 N31F C32F 9.1(3) 2_665 .
N42E Cu4 N31F C32F -85.2(6) 2_665 .
N42C Cu4 N31F C32F 84.5(13) 2_665 .
N31E Cu4 N31F C36F 127(3) . .
N42F Cu4 N31F C36F 2.6(3) . .
N31C Cu4 N31F C36F -168.3(3) 2_665 .
N42E Cu4 N31F C36F 97.4(5) 2_665 .
N42C Cu4 N31F C36F -92.9(13) 2_665 .
C36F N31F C32F C33F 0.0 . .
Cu4 N31F C32F C33F -177.3(4) . .
N31F C32F C33F C34F 0.0 . .
C32F C33F C34F C35F 0.0 . .
C33F C34F C35F C36F 0.0 . .
C34F C35F C36F C43F 178.1(5) . .
C34F C35F C36F N31F 0.0 . .
C32F N31F C36F C43F -178.2(5) . .
Cu4 N31F C36F C43F -0.6(4) . .
C32F N31F C36F C35F 0.0 . .
Cu4 N31F C36F C35F 177.6(3) . .
C46F N41F N42F C43F 174.4(6) . .
C45F N41F N42F C43F 0.0 . .
C46F N41F N42F Cu4 -18.6(7) . .
C45F N41F N42F Cu4 167.0(5) . .
N31F Cu4 N42F C43F -4.0(3) . .
N31E Cu4 N42F C43F 179.1(2) . .
N31C Cu4 N42F C43F 53.8(10) 2_665 .
N42E Cu4 N42F C43F -103.4(11) 2_665 .
N42C Cu4 N42F C43F 83(2) 2_665 .
N31F Cu4 N42F N41F -170.8(4) . .
N31E Cu4 N42F N41F 12.3(4) . .
N31C Cu4 N42F N41F -113.1(10) 2_665 .
N42E Cu4 N42F N41F 89.7(11) 2_665 .
N42C Cu4 N42F N41F -84(2) 2_665 .
C35F C36F C43F N42F 178.8(3) . .
N31F C36F C43F N42F -3.1(5) . .
C35F C36F C43F C44F -6.1(7) . .
N31F C36F C43F C44F 172.1(4) . .
N41F N42F C43F C36F 176.3(5) . .
Cu4 N42F C43F C36F 5.0(4) . .
N41F N42F C43F C44F 0.0 . .
Cu4 N42F C43F C44F -171.3(3) . .
C36F C43F C44F C45F -175.5(6) . .
N42F C43F C44F C45F 0.0 . .
C46F N41F C45F C44F -174.0(6) . .
N42F N41F C45F C44F 0.0 . .
C43F C44F C45F N41F 0.0 . .
C45F N41F C46F C54F 98.8(6) . .
N42F N41F C46F C54F -74.4(7) . .
N21F C26F C51F C52F -34.5(10) . .
N21F C26F C51F O55F 144.6(5) . .
C26F C51F C52F C53F 179.2(7) . .
O55F C51F C52F C53F 0.0 . .
C51F C52F C53F C54F 0.0 . .
C52F C53F C54F O55F 0.0 . .
C52F C53F C54F C46F -178.7(7) . .
N41F C46F C54F O55F 137.8(5) . .
N41F C46F C54F C53F -43.5(8) . .
C53F C54F O55F C51F 0.0 . .
C46F C54F O55F C51F 179.0(6) . .
C26F C51F O55F C54F -179.3(6) . .
C52F C51F O55F C54F 0.0 . .
F13X B11X F13X F14X 78.7(3) 2_665 .
F15X B11X F13X F14X 157.0(4) 2_665 .
F15X B11X F13X F14X 20.0(4) . .
F12X B11X F13X F14X -101.3(3) . .
F14X B11X F13X F14X 137.0(4) 2_665 .
F13X B11X F13X F15X -78.3(3) 2_665 2_665
F15X B11X F13X F15X -137.0(5) . 2_665
F12X B11X F13X F15X 101.7(3) . 2_665
F14X B11X F13X F15X -157.0(4) . 2_665
F14X B11X F13X F15X -20.0(3) 2_665 2_665
F15X F13X F14X F15X -0.5(6) 2_665 .
B11X F13X F14X F15X -23.9(4) . .
F15X F13X F14X B11X 23.4(4) 2_665 .
F13X B11X F14X F13X -136.4(4) 2_665 .
F15X B11X F14X F13X -20.1(3) 2_665 .
F15X B11X F14X F13X -156.7(5) . .
F12X B11X F14X F13X 101.7(3) . .
F14X B11X F14X F13X -78.3(3) 2_665 .
F13X B11X F14X F15X 156.7(5) . .
F13X B11X F14X F15X 20.3(3) 2_665 .
F15X B11X F14X F15X 136.6(4) 2_665 .
F12X B11X F14X F15X -101.6(3) . .
F14X B11X F14X F15X 78.4(3) 2_665 .
F13X F14X F15X F13X 0.3(6) . 2_665
B11X F14X F15X F13X -23.7(4) . 2_665
F13X F14X F15X B11X 23.9(4) . .
F13X B11X F15X F14X -20.0(4) . .
F13X B11X F15X F14X -156.7(4) 2_665 .
F15X B11X F15X F14X -78.6(3) 2_665 .
F12X B11X F15X F14X 101.4(3) . .
F14X B11X F15X F14X -136.9(4) 2_665 .
F13X B11X F15X F13X 136.8(5) . 2_665
F15X B11X F15X F13X 78.1(3) 2_665 2_665
F12X B11X F15X F13X -101.9(3) . 2_665
F14X B11X F15X F13X 156.7(4) . 2_665
F14X B11X F15X F13X 19.8(3) 2_665 2_665
F15Y B11Y F13Y F14Y -156.9(4) 2_665 .
F15Y B11Y F13Y F14Y -18.5(4) . .
F14Y B11Y F13Y F14Y -137.1(4) 2_665 .
F12Y B11Y F13Y F14Y 101.3(3) . .
F13Y B11Y F13Y F14Y -78.7(3) 2_665 .
F15Y B11Y F13Y F15Y 138.4(5) . 2_665
F14Y B11Y F13Y F15Y 156.9(4) . 2_665
F14Y B11Y F13Y F15Y 19.8(3) 2_665 2_665
F12Y B11Y F13Y F15Y -101.8(3) . 2_665
F13Y B11Y F13Y F15Y 78.2(3) 2_665 2_665
F15Y F13Y F14Y F15Y -0.6(6) 2_665 .
B11Y F13Y F14Y F15Y 22.6(4) . .
F15Y F13Y F14Y B11Y -23.1(4) 2_665 .
F15Y B11Y F14Y F13Y 20.6(3) 2_665 .
F15Y B11Y F14Y F13Y 158.3(4) . .
F14Y B11Y F14Y F13Y 79.2(3) 2_665 .
F12Y B11Y F14Y F13Y -100.8(3) . .
F13Y B11Y F14Y F13Y 137.8(4) 2_665 .
F15Y B11Y F14Y F15Y -137.7(4) 2_665 .
F14Y B11Y F14Y F15Y -79.1(3) 2_665 .
F12Y B11Y F14Y F15Y 100.9(3) . .
F13Y B11Y F14Y F15Y -158.3(4) . .
F13Y B11Y F14Y F15Y -20.5(3) 2_665 .
F13Y F14Y F15Y F13Y 0.5(6) . 2_665
B11Y F14Y F15Y F13Y 23.0(4) . 2_665
F13Y F14Y F15Y B11Y -22.6(4) . .
F15Y B11Y F15Y F14Y 78.7(3) 2_665 .
F14Y B11Y F15Y F14Y 137.2(4) 2_665 .
F12Y B11Y F15Y F14Y -101.3(3) . .
F13Y B11Y F15Y F14Y 18.5(4) . .
F13Y B11Y F15Y F14Y 157.1(4) 2_665 .
F15Y B11Y F15Y F13Y -78.4(3) 2_665 2_665
F14Y B11Y F15Y F13Y -157.1(4) . 2_665
F14Y B11Y F15Y F13Y -19.9(3) 2_665 2_665
F12Y B11Y F15Y F13Y 101.6(3) . 2_665
F13Y B11Y F15Y F13Y -138.6(5) . 2_665
