#------------------------------------------------------------------------------
#$Date: 2016-02-05 01:01:45 +0200 (Fri, 05 Feb 2016) $
#$Revision: 176005 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/77/7037735.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_7037735
loop_
_publ_author_name
'Whitehead, George F. S.'
'Ferrando-Soria, Jesús'
'Carthy, Laura'
'Pritchard, Robin G.'
'Teat, Simon J.'
'Timco, Grigore A.'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Synthesis and reactions of N-heterocycle functionalised variants of
 heterometallic {Cr7Ni} rings.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1638
_journal_page_last               1647
_journal_paper_doi               10.1039/c5dt04062k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'C170 H290 Cr14 F16 N2 Ni2 O72 Rh2, 2(C6 H16 N)'
_chemical_formula_sum            'C182 H322 Cr14 F16 N4 Ni2 O72 Rh2'
_chemical_formula_weight         5073.68
_chemical_name_systematic
'[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Re2(O2C2H3)4]'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2015-09-14 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 111.474(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   56.127(7)
_cell_length_b                   16.2525(19)
_cell_length_c                   31.418(4)
_cell_measurement_temperature    100
_cell_volume                     26670(6)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0765
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            94936
_diffrn_reflns_theta_full        23.84
_diffrn_reflns_theta_max         23.84
_diffrn_reflns_theta_min         2.84
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    1.112
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_correction_T_min  0.5684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1540 before and 0.0639 after correction.
The Ratio of minimum to maximum transmission is 0.7630.
The λ/2 correction factor is 0.0000.
;
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'clear green'
_exptl_crystal_F_000             10576
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.037
_refine_diff_density_min         -1.156
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1334
_refine_ls_number_reflns         15783
_refine_ls_number_restraints     264
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1307P)²+174.0757P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1943
_refine_ls_wR_factor_ref         0.2173
_reflns_number_gt                11603
_reflns_number_total             15783
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04062k2.cif
_cod_data_source_block           GT-136a-09
_cod_depositor_comments
'Adding full bibliography for 7037717--7037737.cif.'
_cod_original_cell_volume        26670(5)
_cod_database_code               7037735
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  H5 of C5, H3 of C3, H4 of C4, {H10K,H10L} of C105, {H1CA,H1CB} of C1C,
  {H1BA,H1BB} of C1B, {H10F,H10G} of C101, {H10D,H10E} of N100, H6 of C6
 At 1.5 times of:
  {H9A,H9B,H9C} of C9, {H25A,H25B,H25C} of C25, {H44A,H44B,H44C} of C44,
  {H24A,H24B,H24C} of C24, {H85A,H85B,H85C} of C85, {H66A,H66B,H66C} of C66,
  {H83A,H83B,H83C} of C83, {H29A,H29B,H29C} of C29, {H14A,H14B,H14C} of C14,
  {H35A,H35B,H35C} of C35, {H70A,H70B,H70C} of C70, {H10H,H10I,H10J} of C106,
  {H50A,H50B,H50C} of C50, {H40A,H40B,H40C} of C40, {H46A,H46B,H46C} of C46,
  {H64A,H64B,H64C} of C64, {H79A,H79B,H79C} of C79, {H56A,H56B,H56C} of C56,
  {H34A,H34B,H34C} of C34, {H45A,H45B,H45C} of C45, {H10A,H10B,H10C} of C10,
  {H65A,H65B,H65C} of C65, {H36A,H36B,H36C} of C36, {H26A,H26B,H26C} of C26,
  {H41A,H41B,H41C} of C41, {H51A,H51B,H51C} of C51, {H16A,H16B,H16C} of C16,
  {H19A,H19B,H19C} of C19, {H15A,H15B,H15C} of C15, {H61A,H61B,H61C} of C61,
  {H80A,H80B,H80C} of C80, {H30A,H30B,H30C} of C30, {H1AA,H1AB,H1AC} of C1A,
  {H74A,H74B,H74C} of C74, {H69A,H69B,H69C} of C69, {H60A,H60B,H60C} of C60,
  {H75A,H75B,H75C} of C75, {H55A,H55B,H55C} of C55, {H49A,H49B,H49C} of C49,
  {H81A,H81B,H81C} of C81, {H76A,H76B,H76C} of C76, {H20A,H20B,H20C} of C20,
  {H71A,H71B,H71C} of C71, {H21A,H21B,H21C} of C21, {H31A,H31B,H31C} of C31,
  {H11A,H11B,H11C} of C11, {H59A,H59B,H59C} of C59, {H54A,H54B,H54C} of C54,
  {H39A,H39B,H39C} of C39
2. Uiso/Uaniso restraints and constraints
C63 ~ C65 ~ C64 ~ C66: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C43 ~ C44 ~ C46 ~ C45: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C23 ~ C24 ~ C25 ~ C26: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C78 ~ C79 ~ C80 ~ C81: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C68 ~ C71 ~ C69 ~ C70: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C58 ~ C61 ~ C59 ~ C60: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C50 ~ C48 ~ C51 ~ C49: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C38 ~ C40 ~ C41 ~ C39: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C29 ~ C28 ~ C30 ~ C31: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C18 ~ C19 ~ C21 ~ C20: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C8 ~ C9 ~ C10 ~ C11: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C75 ~ C76 ~ C73 ~ C74: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C14 ~ C15 ~ C13 ~ C16: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C34 ~ C35 ~ C33 ~ C36: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C54 ~ C55 ~ C53 ~ C56: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
3. Others
 Sof(Ni1A)=Sof(Cr1A)=1-Sof(Cr1A)=1-Sof(Cr1A)
4.a Secondary CH2 refined with riding coordinates:
 N100(H10D,H10E), C101(H10F,H10G), C1B(H1BA,H1BB), C1C(H1CA,H1CB), C105(H10K,
 H10L)
4.b Me refined with riding coordinates:
 C85(H85A,H85B,H85C), C29(H29A,H29B,H29C), C83(H83A,H83B,H83C), C14(H14A,H14B,
 H14C), C35(H35A,H35B,H35C), C24(H24A,H24B,H24C), C44(H44A,H44B,H44C), C25(H25A,
 H25B,H25C), C66(H66A,H66B,H66C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C45(H45A,H45B,H45C), C34(H34A,H34B,H34C), C56(H56A,H56B,H56C), C79(H79A,H79B,
 H79C), C64(H64A,H64B,H64C), C46(H46A,H46B,H46C), C40(H40A,H40B,H40C), C50(H50A,
 H50B,H50C), C65(H65A,H65B,H65C), C36(H36A,H36B,H36C), C26(H26A,H26B,H26C),
 C41(H41A,H41B,H41C), C51(H51A,H51B,H51C), C16(H16A,H16B,H16C), C19(H19A,H19B,
 H19C), C15(H15A,H15B,H15C), C61(H61A,H61B,H61C), C80(H80A,H80B,H80C), C30(H30A,
 H30B,H30C), C39(H39A,H39B,H39C), C54(H54A,H54B,H54C), C59(H59A,H59B,H59C),
 C11(H11A,H11B,H11C), C31(H31A,H31B,H31C), C21(H21A,H21B,H21C), C71(H71A,H71B,
 H71C), C20(H20A,H20B,H20C), C76(H76A,H76B,H76C), C81(H81A,H81B,H81C), C49(H49A,
 H49B,H49C), C55(H55A,H55B,H55C), C75(H75A,H75B,H75C), C60(H60A,H60B,H60C),
 C69(H69A,H69B,H69C), C74(H74A,H74B,H74C), C1A(H1AA,H1AB,H1AC), C106(H10H,H10I,
 H10J), C70(H70A,H70B,H70C)
4.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C3(H3), C4(H4)
;
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.484147(11) 0.41776(4) 0.26736(2) 0.0374(2) Uani 1 1 d . . .
Ni1A Ni 0.38033(9) 0.5944(4) 0.4082(2) 0.032(3) Uani 0.47(2) 1 d P A 1
Cr5 Cr 0.39473(2) 1.01271(8) 0.27030(4) 0.0402(3) Uani 1 1 d . A .
Cr3 Cr 0.32720(3) 0.74812(8) 0.13870(4) 0.0441(4) Uani 1 1 d . A .
Cr6 Cr 0.42113(2) 0.94415(8) 0.37943(4) 0.0417(3) Uani 1 1 d . A .
Cr4 Cr 0.36508(3) 0.91656(8) 0.16972(4) 0.0429(4) Uani 1 1 d . A .
Cr2 Cr 0.32258(2) 0.57427(8) 0.19496(4) 0.0403(3) Uani 1 1 d . A .
Cr1A Cr 0.33771(9) 0.5187(5) 0.3065(2) 0.028(3) Uani 0.47(2) 1 d P A 1
Cr7 Cr 0.40730(3) 0.78384(8) 0.43612(4) 0.0470(4) Uani 1 1 d . A .
F6 F 0.40774(8) 0.9255(2) 0.31445(14) 0.0403(10) Uani 1 1 d . . .
F2 F 0.34550(8) 0.5789(3) 0.25688(13) 0.0398(10) Uani 1 1 d . . .
F5 F 0.36973(8) 0.9365(3) 0.23248(14) 0.0406(10) Uani 1 1 d . . .
F1 F 0.35448(8) 0.6122(3) 0.34590(14) 0.0453(11) Uani 1 1 d . . .
F3 F 0.32634(8) 0.6928(2) 0.19192(13) 0.0400(10) Uani 1 1 d . . .
N1 N 0.45426(12) 0.4228(4) 0.2981(2) 0.0397(16) Uani 1 1 d . A .
O34 O 0.53441(10) 0.3274(3) 0.27687(18) 0.0425(13) Uani 1 1 d . . .
O33 O 0.50517(10) 0.3290(3) 0.31070(18) 0.0419(13) Uani 1 1 d . . .
F4 F 0.35762(8) 0.8039(3) 0.17756(13) 0.0419(10) Uani 1 1 d . . .
O36 O 0.49559(10) 0.5078(3) 0.18991(19) 0.0445(13) Uani 1 1 d . . .
F7 F 0.39850(8) 0.8584(3) 0.38454(14) 0.0435(11) Uani 1 1 d . . .
F8 F 0.39717(8) 0.6944(3) 0.39416(14) 0.0440(11) Uani 1 1 d . . .
O19 O 0.37259(12) 1.0299(4) 0.1591(2) 0.0559(15) Uani 1 1 d . . .
O35 O 0.46518(10) 0.5074(3) 0.22183(19) 0.0460(14) Uani 1 1 d . . .
O3 O 0.36223(11) 0.4990(3) 0.42049(18) 0.0479(14) Uani 1 1 d . . .
O25 O 0.44796(10) 0.8625(3) 0.38647(19) 0.0470(14) Uani 1 1 d . . .
O5 O 0.30500(11) 0.5801(4) 0.2881(2) 0.0548(16) Uani 1 1 d . . .
C6 C 0.41019(15) 0.4184(4) 0.2877(3) 0.0368(18) Uani 1 1 d . A .
H6 H 0.3932 0.4035 0.2692 0.044 Uiso 1 1 calc R . .
O6 O 0.29277(10) 0.5899(4) 0.21155(19) 0.0501(14) Uani 1 1 d . . .
O7 O 0.32034(11) 0.4261(4) 0.2657(2) 0.0534(15) Uani 1 1 d . . .
O22 O 0.39449(11) 1.0264(3) 0.37354(18) 0.0465(14) Uani 1 1 d . . .
O28 O 0.41729(13) 0.8765(4) 0.47875(18) 0.0580(16) Uani 1 1 d . . .
O13 O 0.30572(11) 0.8357(4) 0.1486(2) 0.0534(15) Uani 1 1 d . . .
O2 O 0.37147(10) 0.4631(3) 0.32064(17) 0.0420(13) Uani 1 1 d . . .
O1 O 0.40049(10) 0.5280(4) 0.38041(18) 0.0465(14) Uani 1 1 d . . .
O29 O 0.37275(12) 0.7949(4) 0.4363(2) 0.0546(15) Uani 1 1 d . . .
C33 C 0.28587(17) 0.9656(5) 0.1470(3) 0.057(2) Uani 1 1 d U . .
O30 O 0.35958(11) 0.6639(4) 0.43368(18) 0.0507(15) Uani 1 1 d . . .
O23 O 0.41960(11) 1.0909(3) 0.3074(2) 0.0492(14) Uani 1 1 d . . .
O20 O 0.38189(11) 1.0998(3) 0.2248(2) 0.0497(14) Uani 1 1 d . . .
O14 O 0.32897(11) 0.9484(3) 0.15260(18) 0.0486(14) Uani 1 1 d . . .
O24 O 0.44390(10) 1.0301(3) 0.37287(19) 0.0473(14) Uani 1 1 d . . .
O8 O 0.31896(12) 0.4560(4) 0.19562(19) 0.0564(16) Uani 1 1 d . . .
O26 O 0.44240(11) 0.7744(4) 0.4366(2) 0.0541(15) Uani 1 1 d . . .
O10 O 0.34833(11) 0.6620(3) 0.12701(18) 0.0476(14) Uani 1 1 d . . .
C2 C 0.41516(15) 0.4569(5) 0.3297(3) 0.0399(19) Uani 1 1 d . . .
O9 O 0.35189(11) 0.5587(3) 0.17553(18) 0.0467(14) Uani 1 1 d . . .
O15 O 0.32778(13) 0.8053(4) 0.08422(19) 0.0595(17) Uani 1 1 d . . .
O17 O 0.40145(12) 0.8877(4) 0.1871(2) 0.0548(15) Uani 1 1 d . . .
C85 C 0.46230(18) 0.6071(5) 0.1655(3) 0.059(2) Uani 1 1 d . . .
H85A H 0.4742 0.6537 0.1719 0.089 Uiso 1 1 calc R . .
H85B H 0.4472 0.6226 0.1724 0.089 Uiso 1 1 calc R . .
H85C H 0.4570 0.5920 0.1331 0.089 Uiso 1 1 calc R . .
O31 O 0.41750(12) 0.7133(4) 0.48903(18) 0.0570(16) Uani 1 1 d . . .
C63 C 0.48068(16) 0.7629(6) 0.4211(3) 0.056(2) Uani 1 1 d U . .
C8 C 0.3277(2) 0.4171(6) 0.4242(3) 0.064(3) Uani 1 1 d U . .
O4 O 0.32981(11) 0.4663(4) 0.35509(19) 0.0560(16) Uani 1 1 d . . .
O18 O 0.41973(10) 0.9802(3) 0.24314(19) 0.0453(14) Uani 1 1 d . . .
O11 O 0.29945(12) 0.5683(4) 0.13096(19) 0.0538(15) Uani 1 1 d . . .
C32 C 0.30867(17) 0.9119(6) 0.1502(3) 0.045(2) Uani 1 1 d . A .
O32 O 0.40811(12) 0.5807(4) 0.46860(19) 0.0513(15) Uani 1 1 d . . .
C62 C 0.45505(15) 0.8021(5) 0.4134(3) 0.045(2) Uani 1 1 d . A .
C23 C 0.37484(16) 0.5471(6) 0.1254(3) 0.050(2) Uani 1 1 d U . .
O12 O 0.29612(12) 0.6930(4) 0.0989(2) 0.0605(17) Uani 1 1 d . . .
O27 O 0.43454(11) 0.9669(3) 0.44494(19) 0.0521(15) Uani 1 1 d . . .
C22 C 0.35716(15) 0.5939(5) 0.1447(3) 0.0387(19) Uani 1 1 d . A .
C5 C 0.42987(15) 0.4022(5) 0.2732(3) 0.0391(19) Uani 1 1 d . . .
H5 H 0.4262 0.3754 0.2447 0.047 Uiso 1 1 calc R A .
O21 O 0.37095(10) 1.0464(3) 0.29956(18) 0.0441(13) Uani 1 1 d . . .
O16 O 0.36023(13) 0.8950(4) 0.1062(2) 0.0579(16) Uani 1 1 d . . .
C3 C 0.44030(15) 0.4760(5) 0.3555(3) 0.044(2) Uani 1 1 d . A .
H3 H 0.4445 0.5011 0.3846 0.053 Uiso 1 1 calc R . .
C73 C 0.3342(2) 0.7680(7) 0.4513(4) 0.078(3) Uani 1 1 d U . .
C1 C 0.39363(16) 0.4843(5) 0.3449(3) 0.041(2) Uani 1 1 d . A .
C29 C 0.2778(4) 0.5114(10) 0.0390(5) 0.157(8) Uani 1 1 d U A .
H29A H 0.2919 0.5304 0.0301 0.236 Uiso 1 1 calc R . .
H29B H 0.2643 0.4880 0.0122 0.236 Uiso 1 1 calc R . .
H29C H 0.2841 0.4693 0.0628 0.236 Uiso 1 1 calc R . .
C43 C 0.44692(17) 0.9093(5) 0.2129(3) 0.055(2) Uani 1 1 d U . .
C12 C 0.28902(16) 0.5966(5) 0.2497(3) 0.046(2) Uani 1 1 d . A .
C84 C 0.47529(16) 0.5355(5) 0.1945(3) 0.046(2) Uani 1 1 d . . .
C58 C 0.45831(18) 1.1581(6) 0.3530(3) 0.063(3) Uani 1 1 d U . .
C7 C 0.34138(18) 0.4638(6) 0.3981(3) 0.052(2) Uani 1 1 d . A .
C42 C 0.42066(17) 0.9268(6) 0.2142(3) 0.048(2) Uani 1 1 d . A .
C83 C 0.53661(18) 0.2243(5) 0.3319(3) 0.055(2) Uani 1 1 d . . .
H83A H 0.5358 0.1792 0.3106 0.082 Uiso 1 1 calc R . .
H83B H 0.5274 0.2084 0.3517 0.082 Uiso 1 1 calc R . .
H83C H 0.5545 0.2358 0.3506 0.082 Uiso 1 1 calc R . .
C67 C 0.42949(18) 0.9401(6) 0.4790(3) 0.055(2) Uani 1 1 d . A .
C14 C 0.2635(2) 0.6489(8) 0.2949(4) 0.087(4) Uani 1 1 d U A .
H14A H 0.2683 0.6005 0.3149 0.130 Uiso 1 1 calc R . .
H14B H 0.2465 0.6678 0.2927 0.130 Uiso 1 1 calc R . .
H14C H 0.2760 0.6929 0.3078 0.130 Uiso 1 1 calc R . .
C18 C 0.3011(4) 0.3295(8) 0.2065(5) 0.128(6) Uani 1 1 d U . .
C57 C 0.43931(18) 1.0869(5) 0.3436(3) 0.049(2) Uani 1 1 d . . .
C17 C 0.31489(18) 0.4097(5) 0.2248(3) 0.051(2) Uani 1 1 d . A .
C68 C 0.4393(3) 0.9927(7) 0.5221(4) 0.092(4) Uani 1 1 d U . .
C27 C 0.28891(18) 0.6195(6) 0.0997(3) 0.057(2) Uani 1 1 d . A .
C35 C 0.2760(3) 1.0002(10) 0.0991(5) 0.131(6) Uani 1 1 d U A .
H35A H 0.2895 1.0323 0.0942 0.196 Uiso 1 1 calc R . .
H35B H 0.2612 1.0358 0.0952 0.196 Uiso 1 1 calc R . .
H35C H 0.2707 0.9550 0.0770 0.196 Uiso 1 1 calc R . .
C4 C 0.45928(16) 0.4589(5) 0.3391(3) 0.046(2) Uani 1 1 d . . .
H4 H 0.4765 0.4730 0.3571 0.055 Uiso 1 1 calc R A .
C28 C 0.2665(2) 0.5880(7) 0.0583(4) 0.088(4) Uani 1 1 d U . .
C24 C 0.39564(17) 0.5019(6) 0.1641(3) 0.056(2) Uani 1 1 d U A .
H24A H 0.4058 0.5418 0.1869 0.083 Uiso 1 1 calc R . .
H24B H 0.4068 0.4719 0.1516 0.083 Uiso 1 1 calc R . .
H24C H 0.3876 0.4629 0.1786 0.083 Uiso 1 1 calc R . .
C82 C 0.52462(16) 0.2993(5) 0.3054(3) 0.043(2) Uani 1 1 d . . .
C72 C 0.35768(17) 0.7388(6) 0.4389(3) 0.052(2) Uani 1 1 d . A .
C13 C 0.26288(18) 0.6258(6) 0.2465(4) 0.062(3) Uani 1 1 d U . .
C44 C 0.4454(2) 0.8430(7) 0.1775(4) 0.084(3) Uani 1 1 d U A .
H44A H 0.4384 0.7923 0.1853 0.126 Uiso 1 1 calc R . .
H44B H 0.4625 0.8323 0.1774 0.126 Uiso 1 1 calc R . .
H44C H 0.4342 0.8619 0.1472 0.126 Uiso 1 1 calc R . .
C25 C 0.3866(2) 0.6060(6) 0.1009(3) 0.069(3) Uani 1 1 d U A .
H25A H 0.3730 0.6332 0.0758 0.103 Uiso 1 1 calc R . .
H25B H 0.3977 0.5753 0.0886 0.103 Uiso 1 1 calc R . .
H25C H 0.3968 0.6476 0.1225 0.103 Uiso 1 1 calc R . .
C66 C 0.49274(17) 0.7967(6) 0.3880(3) 0.061(2) Uani 1 1 d U A .
H66A H 0.4814 0.7852 0.3564 0.092 Uiso 1 1 calc R . .
H66B H 0.5094 0.7702 0.3941 0.092 Uiso 1 1 calc R . .
H66C H 0.4951 0.8562 0.3923 0.092 Uiso 1 1 calc R . .
C9 C 0.3449(4) 0.3966(13) 0.4705(5) 0.206(12) Uani 1 1 d U A .
H9A H 0.3590 0.3624 0.4689 0.309 Uiso 1 1 calc R . .
H9B H 0.3355 0.3663 0.4862 0.309 Uiso 1 1 calc R . .
H9C H 0.3519 0.4473 0.4873 0.309 Uiso 1 1 calc R . .
C10 C 0.3126(2) 0.3447(7) 0.3973(4) 0.084(3) Uani 1 1 d U A .
H10A H 0.2998 0.3643 0.3685 0.126 Uiso 1 1 calc R . .
H10B H 0.3041 0.3165 0.4153 0.126 Uiso 1 1 calc R . .
H10C H 0.3243 0.3063 0.3907 0.126 Uiso 1 1 calc R . .
C45 C 0.45718(19) 0.9883(6) 0.2006(4) 0.068(3) Uani 1 1 d U A .
H45A H 0.4455 1.0075 0.1706 0.102 Uiso 1 1 calc R . .
H45B H 0.4741 0.9781 0.1993 0.102 Uiso 1 1 calc R . .
H45C H 0.4585 1.0303 0.2237 0.102 Uiso 1 1 calc R . .
C34 C 0.2955(2) 1.0390(7) 0.1805(5) 0.097(4) Uani 1 1 d U A .
H34A H 0.3037 1.0181 0.2118 0.145 Uiso 1 1 calc R . .
H34B H 0.2810 1.0742 0.1788 0.145 Uiso 1 1 calc R . .
H34C H 0.3079 1.0711 0.1722 0.145 Uiso 1 1 calc R . .
C47 C 0.37644(16) 1.0951(6) 0.1817(3) 0.054(2) Uani 1 1 d . A .
C77 C 0.41950(18) 0.6359(6) 0.4960(3) 0.056(2) Uani 1 1 d . A .
C56 C 0.33097(18) 1.1095(6) 0.3210(4) 0.066(3) Uani 1 1 d U A .
H56A H 0.3306 1.1250 0.2906 0.099 Uiso 1 1 calc R . .
H56B H 0.3201 1.1470 0.3302 0.099 Uiso 1 1 calc R . .
H56C H 0.3246 1.0530 0.3201 0.099 Uiso 1 1 calc R . .
C52 C 0.37541(17) 1.0558(5) 0.3413(3) 0.048(2) Uani 1 1 d . A .
C78 C 0.4372(2) 0.6110(7) 0.5445(3) 0.078(3) Uani 1 1 d U . .
C53 C 0.3578(2) 1.1144(7) 0.3547(3) 0.075(3) Uani 1 1 d U . .
C38 C 0.3404(2) 0.8691(7) 0.0266(3) 0.076(3) Uani 1 1 d U . .
C79 C 0.46217(19) 0.6580(8) 0.5584(3) 0.083(3) Uani 1 1 d U A .
H79A H 0.4706 0.6463 0.5367 0.125 Uiso 1 1 calc R . .
H79B H 0.4734 0.6411 0.5892 0.125 Uiso 1 1 calc R . .
H79C H 0.4587 0.7171 0.5583 0.125 Uiso 1 1 calc R . .
C37 C 0.3431(2) 0.8543(6) 0.0770(3) 0.051(2) Uani 1 1 d . A .
C64 C 0.49796(18) 0.7854(7) 0.4708(3) 0.070(3) Uani 1 1 d U A .
H64A H 0.4994 0.8453 0.4740 0.106 Uiso 1 1 calc R . .
H64B H 0.5150 0.7615 0.4779 0.106 Uiso 1 1 calc R . .
H64C H 0.4904 0.7635 0.4921 0.106 Uiso 1 1 calc R . .
C46 C 0.46422(19) 0.8815(7) 0.2614(4) 0.083(4) Uani 1 1 d U A .
H46A H 0.4653 0.9256 0.2833 0.125 Uiso 1 1 calc R . .
H46B H 0.4814 0.8692 0.2618 0.125 Uiso 1 1 calc R . .
H46C H 0.4570 0.8321 0.2699 0.125 Uiso 1 1 calc R . .
C40 C 0.3651(3) 0.8330(10) 0.0238(4) 0.119(5) Uani 1 1 d U A .
H40A H 0.3800 0.8608 0.0461 0.179 Uiso 1 1 calc R . .
H40B H 0.3652 0.8413 -0.0071 0.179 Uiso 1 1 calc R . .
H40C H 0.3660 0.7740 0.0306 0.179 Uiso 1 1 calc R . .
C50 C 0.3477(2) 1.1867(6) 0.1239(4) 0.074(3) Uani 1 1 d U A .
H50A H 0.3426 1.1400 0.1028 0.111 Uiso 1 1 calc R . .
H50B H 0.3463 1.2377 0.1065 0.111 Uiso 1 1 calc R . .
H50C H 0.3366 1.1900 0.1416 0.111 Uiso 1 1 calc R . .
C65 C 0.4775(2) 0.6686(6) 0.4159(4) 0.080(3) Uani 1 1 d U A .
H65A H 0.4705 0.6475 0.4381 0.120 Uiso 1 1 calc R . .
H65B H 0.4942 0.6432 0.4213 0.120 Uiso 1 1 calc R . .
H65C H 0.4657 0.6554 0.3848 0.120 Uiso 1 1 calc R . .
C36 C 0.2664(2) 0.9198(7) 0.1592(5) 0.095(4) Uani 1 1 d U A .
H36A H 0.2602 0.8729 0.1385 0.143 Uiso 1 1 calc R . .
H36B H 0.2520 0.9564 0.1564 0.143 Uiso 1 1 calc R . .
H36C H 0.2741 0.9000 0.1908 0.143 Uiso 1 1 calc R . .
C26 C 0.3577(2) 0.4829(7) 0.0928(4) 0.075(3) Uani 1 1 d U A .
H26A H 0.3506 0.4461 0.1099 0.113 Uiso 1 1 calc R . .
H26B H 0.3678 0.4507 0.0791 0.113 Uiso 1 1 calc R . .
H26C H 0.3437 0.5106 0.0687 0.113 Uiso 1 1 calc R . .
C48 C 0.3746(2) 1.1754(6) 0.1554(4) 0.076(3) Uani 1 1 d U . .
C41 C 0.3183(3) 0.8177(8) -0.0061(3) 0.102(4) Uani 1 1 d U A .
H41A H 0.3216 0.7592 0.0013 0.154 Uiso 1 1 calc R . .
H41B H 0.3170 0.8274 -0.0377 0.154 Uiso 1 1 calc R . .
H41C H 0.3023 0.8337 -0.0028 0.154 Uiso 1 1 calc R . .
C51 C 0.3905(3) 1.1612(11) 0.1243(6) 0.155(8) Uani 1 1 d U A .
H51A H 0.4083 1.1482 0.1435 0.233 Uiso 1 1 calc R . .
H51B H 0.3901 1.2111 0.1066 0.233 Uiso 1 1 calc R . .
H51C H 0.3832 1.1152 0.1034 0.233 Uiso 1 1 calc R . .
C16 C 0.2449(2) 0.5559(9) 0.2288(5) 0.104(4) Uani 1 1 d U A .
H16A H 0.2446 0.5399 0.1985 0.155 Uiso 1 1 calc R . .
H16B H 0.2277 0.5725 0.2265 0.155 Uiso 1 1 calc R . .
H16C H 0.2506 0.5091 0.2498 0.155 Uiso 1 1 calc R . .
C19 C 0.2967(3) 0.3140(7) 0.1586(4) 0.096(4) Uani 1 1 d U A .
H19A H 0.2854 0.3565 0.1396 0.144 Uiso 1 1 calc R . .
H19B H 0.2888 0.2599 0.1498 0.144 Uiso 1 1 calc R . .
H19C H 0.3131 0.3153 0.1542 0.144 Uiso 1 1 calc R . .
C15 C 0.2547(3) 0.7013(8) 0.2144(5) 0.108(5) Uani 1 1 d U A .
H15A H 0.2671 0.7458 0.2265 0.163 Uiso 1 1 calc R . .
H15B H 0.2377 0.7198 0.2126 0.163 Uiso 1 1 calc R . .
H15C H 0.2540 0.6860 0.1839 0.163 Uiso 1 1 calc R . .
C61 C 0.4604(3) 1.1845(9) 0.3075(5) 0.118(5) Uani 1 1 d U . .
H61A H 0.4663 1.1379 0.2942 0.177 Uiso 1 1 calc R . .
H61B H 0.4726 1.2300 0.3130 0.177 Uiso 1 1 calc R . .
H61C H 0.4436 1.2025 0.2863 0.177 Uiso 1 1 calc R . .
C80 C 0.4226(3) 0.6378(11) 0.5760(4) 0.127(6) Uani 1 1 d U A .
H80A H 0.4197 0.6973 0.5734 0.191 Uiso 1 1 calc R . .
H80B H 0.4328 0.6236 0.6078 0.191 Uiso 1 1 calc R . .
H80C H 0.4061 0.6092 0.5665 0.191 Uiso 1 1 calc R . .
C30 C 0.2573(3) 0.6476(9) 0.0218(4) 0.139(7) Uani 1 1 d U A .
H30A H 0.2715 0.6659 0.0131 0.208 Uiso 1 1 calc R . .
H30B H 0.2501 0.6950 0.0322 0.208 Uiso 1 1 calc R . .
H30C H 0.2440 0.6225 -0.0047 0.208 Uiso 1 1 calc R . .
C39 C 0.3349(5) 0.9560(9) 0.0159(4) 0.180(10) Uani 1 1 d U A .
H39A H 0.3186 0.9703 0.0188 0.270 Uiso 1 1 calc R . .
H39B H 0.3337 0.9667 -0.0155 0.270 Uiso 1 1 calc R . .
H39C H 0.3486 0.9895 0.0371 0.270 Uiso 1 1 calc R . .
C54 C 0.3678(3) 1.2025(9) 0.3488(7) 0.158(8) Uani 1 1 d U A .
H54A H 0.3676 1.2085 0.3176 0.237 Uiso 1 1 calc R . .
H54B H 0.3854 1.2095 0.3707 0.237 Uiso 1 1 calc R . .
H54C H 0.3567 1.2444 0.3544 0.237 Uiso 1 1 calc R . .
C59 C 0.4447(3) 1.2324(7) 0.3664(6) 0.124(5) Uani 1 1 d U . .
H59A H 0.4287 1.2449 0.3410 0.187 Uiso 1 1 calc R . .
H59B H 0.4560 1.2807 0.3729 0.187 Uiso 1 1 calc R . .
H59C H 0.4410 1.2182 0.3936 0.187 Uiso 1 1 calc R . .
C11 C 0.3088(4) 0.4772(10) 0.4312(7) 0.163(8) Uani 1 1 d U A .
H11A H 0.3181 0.5250 0.4483 0.245 Uiso 1 1 calc R . .
H11B H 0.2996 0.4502 0.4484 0.245 Uiso 1 1 calc R . .
H11C H 0.2966 0.4951 0.4014 0.245 Uiso 1 1 calc R . .
C31 C 0.2475(3) 0.5499(10) 0.0747(5) 0.127(6) Uani 1 1 d U A .
H31A H 0.2345 0.5209 0.0494 0.190 Uiso 1 1 calc R . .
H31B H 0.2392 0.5928 0.0864 0.190 Uiso 1 1 calc R . .
H31C H 0.2562 0.5108 0.0992 0.190 Uiso 1 1 calc R . .
C21 C 0.2696(3) 0.3540(10) 0.2010(8) 0.159(8) Uani 1 1 d . A .
H21A H 0.2693 0.3702 0.2309 0.239 Uiso 1 1 calc R . .
H21B H 0.2586 0.3058 0.1897 0.239 Uiso 1 1 calc R . .
H21C H 0.2633 0.3995 0.1794 0.239 Uiso 1 1 calc R . .
C71 C 0.4342(4) 1.0850(8) 0.5096(6) 0.137(6) Uani 1 1 d U A .
H71A H 0.4428 1.1008 0.4887 0.205 Uiso 1 1 calc R . .
H71B H 0.4409 1.1183 0.5375 0.205 Uiso 1 1 calc R . .
H71C H 0.4158 1.0942 0.4948 0.205 Uiso 1 1 calc R . .
C20 C 0.3051(3) 0.2670(8) 0.2372(5) 0.160(9) Uani 1 1 d U A .
H20A H 0.3235 0.2561 0.2515 0.239 Uiso 1 1 calc R . .
H20B H 0.2963 0.2174 0.2214 0.239 Uiso 1 1 calc R . .
H20C H 0.2983 0.2826 0.2608 0.239 Uiso 1 1 calc R . .
C76 C 0.3377(3) 0.7244(15) 0.4968(5) 0.181(9) Uani 1 1 d U A .
H76A H 0.3379 0.6647 0.4926 0.271 Uiso 1 1 calc R . .
H76B H 0.3235 0.7392 0.5064 0.271 Uiso 1 1 calc R . .
H76C H 0.3539 0.7417 0.5203 0.271 Uiso 1 1 calc R . .
C81 C 0.4417(4) 0.5185(10) 0.5467(5) 0.190(10) Uani 1 1 d U A .
H81A H 0.4253 0.4899 0.5393 0.285 Uiso 1 1 calc R . .
H81B H 0.4531 0.5032 0.5777 0.285 Uiso 1 1 calc R . .
H81C H 0.4496 0.5029 0.5247 0.285 Uiso 1 1 calc R . .
C49 C 0.3843(5) 1.2441(9) 0.1866(5) 0.248(15) Uani 1 1 d U A .
H49A H 0.3741 1.2498 0.2061 0.373 Uiso 1 1 calc R . .
H49B H 0.3830 1.2948 0.1691 0.373 Uiso 1 1 calc R . .
H49C H 0.4022 1.2341 0.2058 0.373 Uiso 1 1 calc R . .
C55 C 0.3595(4) 1.0972(17) 0.4016(5) 0.248(14) Uani 1 1 d U A .
H55A H 0.3493 1.1378 0.4107 0.372 Uiso 1 1 calc R . .
H55B H 0.3774 1.1003 0.4224 0.372 Uiso 1 1 calc R . .
H55C H 0.3528 1.0419 0.4029 0.372 Uiso 1 1 calc R . .
C75 C 0.3329(4) 0.8569(10) 0.4526(10) 0.244(13) Uani 1 1 d U A .
H75A H 0.3484 0.8781 0.4766 0.366 Uiso 1 1 calc R . .
H75B H 0.3178 0.8732 0.4592 0.366 Uiso 1 1 calc R . .
H75C H 0.3317 0.8795 0.4230 0.366 Uiso 1 1 calc R . .
C60 C 0.4824(2) 1.1409(8) 0.3895(5) 0.124(6) Uani 1 1 d U . .
H60A H 0.4794 1.1288 0.4176 0.186 Uiso 1 1 calc R . .
H60B H 0.4937 1.1889 0.3943 0.186 Uiso 1 1 calc R . .
H60C H 0.4905 1.0933 0.3811 0.186 Uiso 1 1 calc R . .
C69 C 0.4684(4) 0.9960(13) 0.5340(6) 0.207(11) Uani 1 1 d U A .
H69A H 0.4754 0.9401 0.5391 0.311 Uiso 1 1 calc R . .
H69B H 0.4764 1.0288 0.5619 0.311 Uiso 1 1 calc R . .
H69C H 0.4720 1.0214 0.5087 0.311 Uiso 1 1 calc R . .
C74 C 0.3106(2) 0.7336(9) 0.4181(5) 0.112(5) Uani 1 1 d U A .
H74A H 0.3083 0.7537 0.3874 0.167 Uiso 1 1 calc R . .
H74B H 0.2961 0.7508 0.4261 0.167 Uiso 1 1 calc R . .
H74C H 0.3118 0.6735 0.4187 0.167 Uiso 1 1 calc R . .
C1A C 0.42919(19) 0.6606(6) 0.2710(3) 0.063(3) Uani 1 1 d . . .
H1AA H 0.4225 0.6606 0.2375 0.095 Uiso 1 1 calc R . .
H1AB H 0.4402 0.6124 0.2823 0.095 Uiso 1 1 calc R . .
H1AC H 0.4392 0.7108 0.2823 0.095 Uiso 1 1 calc R . .
N100 N 0.37100(17) 0.7307(6) 0.2969(3) 0.078(3) Uani 1 1 d . . .
H10D H 0.3780 0.7245 0.3282 0.094 Uiso 1 1 calc R . .
H10E H 0.3617 0.6837 0.2855 0.094 Uiso 1 1 calc R . .
C101 C 0.39171(18) 0.7322(5) 0.2808(3) 0.055(2) Uani 1 1 d . . .
H10F H 0.4031 0.7783 0.2960 0.065 Uiso 1 1 calc R . .
H10G H 0.3846 0.7445 0.2476 0.065 Uiso 1 1 calc R . .
C1B C 0.35296(19) 0.7978(5) 0.2877(3) 0.058(2) Uani 1 1 d . . .
H1BA H 0.3445 0.8031 0.2541 0.070 Uiso 1 1 calc R . .
H1BB H 0.3628 0.8490 0.2990 0.070 Uiso 1 1 calc R . .
C1C C 0.4074(2) 0.6574(8) 0.2875(4) 0.088(4) Uani 1 1 d . . .
H1CA H 0.3960 0.6113 0.2718 0.106 Uiso 1 1 calc R . .
H1CB H 0.4144 0.6445 0.3206 0.106 Uiso 1 1 calc R . .
C106 C 0.3144(2) 0.8622(7) 0.2960(4) 0.090(4) Uani 1 1 d . . .
H10H H 0.3062 0.8680 0.2628 0.135 Uiso 1 1 calc R . .
H10I H 0.3234 0.9132 0.3091 0.135 Uiso 1 1 calc R . .
H10J H 0.3013 0.8510 0.3091 0.135 Uiso 1 1 calc R . .
C105 C 0.3330(2) 0.7930(8) 0.3069(5) 0.095(4) Uani 1 1 d . . .
H10K H 0.3413 0.7891 0.3406 0.114 Uiso 1 1 calc R . .
H10L H 0.3233 0.7414 0.2961 0.114 Uiso 1 1 calc R . .
C70 C 0.4367(6) 0.9491(15) 0.5595(5) 0.303(17) Uani 1 1 d U A .
H70A H 0.4187 0.9342 0.5520 0.454 Uiso 1 1 calc R . .
H70B H 0.4424 0.9841 0.5868 0.454 Uiso 1 1 calc R . .
H70C H 0.4471 0.8991 0.5655 0.454 Uiso 1 1 calc R . .
Cr1B Cr 0.38002(16) 0.5946(6) 0.4072(3) 0.061(5) Uani 0.53(2) 1 d P A 2
Ni1B Ni 0.33781(12) 0.5202(5) 0.3060(2) 0.062(3) Uani 0.53(2) 1 d P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0044 0.0020 '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'
Cr Cr 0.3493 0.7246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0216 0.0125 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0081 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3402 1.3137 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0141 0.0074 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.9082 1.0951 '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
N1 Rh1 Rh1 177.62(16) . 2_655
O34 Rh1 Rh1 88.21(14) 2_655 2_655
O34 Rh1 N1 92.6(2) 2_655 .
O34 Rh1 O33 88.4(2) 2_655 .
O34 Rh1 O36 176.6(2) 2_655 2_655
O34 Rh1 O35 91.8(2) 2_655 .
O33 Rh1 Rh1 87.68(15) . 2_655
O33 Rh1 N1 94.6(2) . .
O33 Rh1 O35 175.7(2) . .
O36 Rh1 Rh1 88.37(15) 2_655 2_655
O36 Rh1 N1 90.9(2) 2_655 .
O36 Rh1 O33 91.2(2) 2_655 .
O36 Rh1 O35 88.4(2) 2_655 .
O35 Rh1 Rh1 87.99(15) . 2_655
O35 Rh1 N1 89.7(2) . .
F1 Ni1A F8 84.1(3) . .
F1 Ni1A O30 89.4(3) . .
O3 Ni1A F1 93.7(3) . .
O3 Ni1A F8 177.3(4) . .
O3 Ni1A O1 94.4(4) . .
O3 Ni1A O30 87.1(3) . .
O3 Ni1A O32 90.3(4) . .
O1 Ni1A F1 88.5(3) . .
O1 Ni1A F8 87.3(3) . .
O1 Ni1A O30 177.5(4) . .
O30 Ni1A F8 91.2(3) . .
O32 Ni1A F1 175.4(4) . .
O32 Ni1A F8 91.9(3) . .
O32 Ni1A O1 89.1(3) . .
O32 Ni1A O30 92.9(4) . .
F6 Cr5 O23 92.8(2) . .
F6 Cr5 O20 178.8(2) . .
F6 Cr5 O18 88.4(2) . .
F6 Cr5 O21 90.6(2) . .
F5 Cr5 F6 88.27(18) . .
F5 Cr5 O23 178.9(2) . .
F5 Cr5 O20 91.4(2) . .
F5 Cr5 O18 92.0(2) . .
F5 Cr5 O21 90.1(2) . .
O23 Cr5 O20 87.5(2) . .
O23 Cr5 O18 88.0(2) . .
O23 Cr5 O21 89.9(2) . .
O20 Cr5 O18 90.4(2) . .
O20 Cr5 O21 90.5(2) . .
O21 Cr5 O18 177.7(2) . .
F3 Cr3 F4 88.13(18) . .
F3 Cr3 O13 89.4(2) . .
F3 Cr3 O10 92.2(2) . .
F3 Cr3 O15 179.4(3) . .
F3 Cr3 O12 92.4(2) . .
F4 Cr3 O13 90.6(2) . .
F4 Cr3 O10 89.9(2) . .
F4 Cr3 O15 92.1(2) . .
F4 Cr3 O12 179.2(3) . .
O10 Cr3 O13 178.3(2) . .
O10 Cr3 O15 88.3(2) . .
O15 Cr3 O13 90.1(3) . .
O12 Cr3 O13 88.7(3) . .
O12 Cr3 O10 90.7(3) . .
O12 Cr3 O15 87.4(3) . .
F6 Cr6 F7 87.78(18) . .
F6 Cr6 O25 89.9(2) . .
F6 Cr6 O22 91.1(2) . .
F6 Cr6 O24 91.0(2) . .
F6 Cr6 O27 178.1(2) . .
F7 Cr6 O25 90.2(2) . .
F7 Cr6 O22 89.9(2) . .
F7 Cr6 O24 178.7(2) . .
F7 Cr6 O27 93.5(2) . .
O25 Cr6 O22 179.0(3) . .
O24 Cr6 O25 89.5(2) . .
O24 Cr6 O22 90.5(2) . .
O27 Cr6 O25 91.5(2) . .
O27 Cr6 O22 87.5(2) . .
O27 Cr6 O24 87.8(2) . .
F5 Cr4 O19 93.4(2) . .
F5 Cr4 O14 88.6(2) . .
F5 Cr4 O17 91.0(2) . .
F5 Cr4 O16 179.3(3) . .
F4 Cr4 F5 89.04(18) . .
F4 Cr4 O19 177.5(2) . .
F4 Cr4 O14 92.0(2) . .
F4 Cr4 O17 89.4(2) . .
F4 Cr4 O16 90.3(2) . .
O19 Cr4 O14 88.3(3) . .
O19 Cr4 O17 90.3(3) . .
O14 Cr4 O17 178.5(3) . .
O16 Cr4 O19 87.3(3) . .
O16 Cr4 O14 91.4(3) . .
O16 Cr4 O17 89.1(3) . .
F2 Cr2 F3 88.03(18) . .
F2 Cr2 O6 92.7(2) . .
F2 Cr2 O8 93.6(2) . .
F2 Cr2 O9 89.6(2) . .
F2 Cr2 O11 179.0(2) . .
F3 Cr2 O9 89.7(2) . .
F3 Cr2 O11 92.4(2) . .
O6 Cr2 F3 90.2(2) . .
O6 Cr2 O9 177.7(2) . .
O6 Cr2 O11 88.2(3) . .
O8 Cr2 F3 177.7(2) . .
O8 Cr2 O6 91.3(3) . .
O8 Cr2 O9 88.7(2) . .
O8 Cr2 O11 85.9(2) . .
O11 Cr2 O9 89.5(2) . .
F1 Cr1A F2 85.6(3) . .
F1 Cr1A O5 88.5(4) . .
F1 Cr1A O7 178.7(5) . .
F1 Cr1A O2 90.8(3) . .
O5 Cr1A F2 88.3(3) . .
O5 Cr1A O7 90.5(3) . .
O5 Cr1A O2 174.6(5) . .
O7 Cr1A F2 93.6(4) . .
O7 Cr1A O2 90.1(4) . .
O2 Cr1A F2 86.3(3) . .
O4 Cr1A F2 177.1(5) . .
O4 Cr1A F1 92.2(4) . .
O4 Cr1A O5 89.8(3) . .
O4 Cr1A O7 88.6(4) . .
O4 Cr1A O2 95.6(4) . .
F7 Cr7 O28 90.7(2) . .
F7 Cr7 O29 89.8(2) . .
F7 Cr7 O26 90.2(2) . .
F8 Cr7 F7 88.76(18) . .
F8 Cr7 O28 179.2(3) . .
F8 Cr7 O29 91.6(2) . .
F8 Cr7 O26 89.5(2) . .
F8 Cr7 O31 93.6(2) . .
O28 Cr7 O26 91.1(3) . .
O29 Cr7 O28 87.9(3) . .
O29 Cr7 O26 179.0(3) . .
O31 Cr7 F7 177.1(2) . .
O31 Cr7 O28 87.0(3) . .
O31 Cr7 O29 91.9(3) . .
O31 Cr7 O26 88.1(3) . .
Cr6 F6 Cr5 123.0(2) . .
Cr2 F2 Cr1A 120.9(3) . .
Cr2 F2 Ni1B 121.1(3) . .
Ni1B F2 Cr1A 0.3(4) . .
Cr4 F5 Cr5 122.6(2) . .
Cr1A F1 Ni1A 121.1(4) . .
Cr1B F1 Ni1A 0.2(4) . .
Cr1B F1 Cr1A 121.1(4) . .
Ni1B F1 Ni1A 121.7(4) . .
Ni1B F1 Cr1A 0.8(4) . .
Ni1B F1 Cr1B 121.7(4) . .
Cr3 F3 Cr2 123.1(2) . .
C5 N1 Rh1 120.4(5) . .
C4 N1 Rh1 120.3(5) . .
C4 N1 C5 118.4(7) . .
C82 O34 Rh1 119.3(5) . 2_655
C82 O33 Rh1 120.2(5) . .
Cr4 F4 Cr3 123.7(2) . .
C84 O36 Rh1 119.0(5) . 2_655
Cr6 F7 Cr7 123.2(2) . .
Cr7 F8 Ni1A 120.7(3) . .
Cr7 F8 Cr1B 121.3(3) . .
Cr1B F8 Ni1A 0.8(4) . .
C47 O19 Cr4 135.1(6) . .
C84 O35 Rh1 118.7(5) . .
Ni1A O3 Cr1B 0.9(4) . .
C7 O3 Ni1A 133.5(6) . .
C7 O3 Cr1B 132.7(6) . .
C62 O25 Cr6 130.0(5) . .
C12 O5 Cr1A 131.0(6) . .
C12 O5 Ni1B 130.6(6) . .
Ni1B O5 Cr1A 0.9(4) . .
C2 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C5 C6 C2 119.7(7) . .
C12 O6 Cr2 135.0(5) . .
Cr1A O7 Ni1B 0.8(4) . .
C17 O7 Cr1A 135.3(6) . .
C17 O7 Ni1B 134.5(6) . .
C52 O22 Cr6 136.3(5) . .
C67 O28 Cr7 131.7(6) . .
C32 O13 Cr3 130.2(6) . .
Cr1A O2 Ni1B 0.9(4) . .
C1 O2 Cr1A 131.7(6) . .
C1 O2 Ni1B 131.3(6) . .
C1 O1 Ni1A 131.2(5) . .
C1 O1 Cr1B 130.5(6) . .
Cr1B O1 Ni1A 0.8(4) . .
C72 O29 Cr7 128.5(6) . .
C32 C33 C34 108.7(8) . .
C35 C33 C32 105.9(8) . .
C35 C33 C34 107.5(10) . .
C36 C33 C32 112.1(8) . .
C36 C33 C35 114.0(10) . .
C36 C33 C34 108.5(9) . .
Ni1A O30 Cr1B 0.8(4) . .
C72 O30 Ni1A 134.7(6) . .
C72 O30 Cr1B 134.5(6) . .
C57 O23 Cr5 135.2(5) . .
C47 O20 Cr5 127.9(6) . .
C32 O14 Cr4 135.3(5) . .
C57 O24 Cr6 129.3(5) . .
C17 O8 Cr2 130.1(6) . .
C62 O26 Cr7 137.2(5) . .
C22 O10 Cr3 135.7(5) . .
C6 C2 C1 121.5(7) . .
C3 C2 C6 117.6(7) . .
C3 C2 C1 120.6(7) . .
C22 O9 Cr2 130.0(5) . .
C37 O15 Cr3 133.8(6) . .
C42 O17 Cr4 127.4(6) . .
H85A C85 H85B 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C84 C85 H85A 109.5 . .
C84 C85 H85B 109.5 . .
C84 C85 H85C 109.5 . .
C77 O31 Cr7 135.7(6) . .
C62 C63 C66 111.8(7) . .
C62 C63 C64 105.6(8) . .
C62 C63 C65 109.5(7) . .
C66 C63 C64 109.3(7) . .
C66 C63 C65 110.2(9) . .
C65 C63 C64 110.3(8) . .
C9 C8 C7 111.7(10) . .
C9 C8 C10 114.1(11) . .
C9 C8 C11 104.3(14) . .
C10 C8 C7 112.1(8) . .
C10 C8 C11 107.8(11) . .
C11 C8 C7 106.1(9) . .
Cr1A O4 Ni1B 0.4(4) . .
C7 O4 Cr1A 132.8(6) . .
C7 O4 Ni1B 132.6(6) . .
C42 O18 Cr5 135.8(5) . .
C27 O11 Cr2 135.6(6) . .
O13 C32 C33 118.1(8) . .
O13 C32 O14 124.9(8) . .
O14 C32 C33 116.9(8) . .
Ni1A O32 Cr1B 0.2(4) . .
C77 O32 Ni1A 127.3(6) . .
C77 O32 Cr1B 127.3(7) . .
O25 C62 O26 123.7(8) . .
O25 C62 C63 118.9(7) . .
O26 C62 C63 117.3(7) . .
C24 C23 C22 109.7(7) . .
C25 C23 C22 110.5(7) . .
C25 C23 C24 111.0(7) . .
C25 C23 C26 112.0(8) . .
C26 C23 C22 105.2(7) . .
C26 C23 C24 108.3(8) . .
C27 O12 Cr3 129.7(6) . .
C67 O27 Cr6 134.4(6) . .
O10 C22 C23 117.8(7) . .
O9 C22 O10 125.5(7) . .
O9 C22 C23 116.6(7) . .
N1 C5 C6 122.2(7) . .
N1 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C52 O21 Cr5 128.2(5) . .
C37 O16 Cr4 129.2(6) . .
C2 C3 H3 119.9 . .
C4 C3 C2 120.1(8) . .
C4 C3 H3 119.9 . .
C76 C73 C72 104.9(10) . .
C75 C73 C72 111.4(10) . .
C75 C73 C76 114.9(15) . .
C75 C73 C74 111.0(15) . .
C74 C73 C72 109.2(9) . .
C74 C73 C76 105.0(12) . .
O2 C1 O1 127.6(7) . .
O2 C1 C2 117.3(7) . .
O1 C1 C2 115.1(7) . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
C42 C43 C44 110.7(8) . .
C42 C43 C46 107.2(7) . .
C44 C43 C46 111.1(9) . .
C45 C43 C42 108.2(7) . .
C45 C43 C44 109.7(8) . .
C45 C43 C46 109.9(9) . .
O5 C12 O6 125.2(7) . .
O5 C12 C13 118.3(8) . .
O6 C12 C13 116.5(8) . .
O36 C84 C85 117.5(7) . .
O35 C84 O36 125.7(7) . .
O35 C84 C85 116.8(7) . .
C57 C58 C61 108.5(8) . .
C57 C58 C59 105.2(8) . .
C61 C58 C59 104.2(10) . .
C60 C58 C57 113.0(8) . .
C60 C58 C61 115.0(11) . .
C60 C58 C59 110.1(11) . .
O3 C7 C8 118.4(8) . .
O3 C7 O4 126.1(8) . .
O4 C7 C8 115.4(8) . .
O17 C42 O18 124.9(8) . .
O17 C42 C43 119.0(8) . .
O18 C42 C43 116.1(8) . .
H83A C83 H83B 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C82 C83 H83A 109.5 . .
C82 C83 H83B 109.5 . .
C82 C83 H83C 109.5 . .
O28 C67 O27 124.8(8) . .
O28 C67 C68 119.5(9) . .
O27 C67 C68 115.7(9) . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
C17 C18 C21 101.5(11) . .
C19 C18 C17 114.1(10) . .
C19 C18 C21 99.0(14) . .
C20 C18 C17 116.4(13) . .
C20 C18 C19 121.6(13) . .
C20 C18 C21 97.9(13) . .
O23 C57 C58 116.9(7) . .
O24 C57 O23 124.9(7) . .
O24 C57 C58 118.2(8) . .
O7 C17 O8 125.6(8) . .
O7 C17 C18 118.4(8) . .
O8 C17 C18 115.9(9) . .
C67 C68 C71 110.1(10) . .
C67 C68 C69 104.1(12) . .
C69 C68 C71 96.2(13) . .
C70 C68 C67 110.0(10) . .
C70 C68 C71 128.6(17) . .
C70 C68 C69 103.9(18) . .
O11 C27 O12 125.3(8) . .
O11 C27 C28 116.6(9) . .
O12 C27 C28 117.9(9) . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N1 C4 C3 121.9(8) . .
N1 C4 H4 119.1 . .
C3 C4 H4 119.1 . .
C27 C28 C29 105.2(10) . .
C30 C28 C29 107.2(13) . .
C30 C28 C27 113.2(10) . .
C30 C28 C31 117.7(13) . .
C31 C28 C29 104.0(12) . .
C31 C28 C27 108.5(11) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O34 C82 C83 117.1(7) . .
O33 C82 O34 124.3(7) . .
O33 C82 C83 118.6(7) . .
O29 C72 C73 115.9(9) . .
O30 C72 O29 127.4(8) . .
O30 C72 C73 116.7(8) . .
C12 C13 C14 109.7(8) . .
C12 C13 C15 110.2(8) . .
C16 C13 C12 107.2(8) . .
C16 C13 C14 108.5(9) . .
C16 C13 C15 111.4(10) . .
C15 C13 C14 109.9(9) . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44B 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C63 C66 H66A 109.5 . .
C63 C66 H66B 109.5 . .
C63 C66 H66C 109.5 . .
H66A C66 H66B 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C43 C45 H45A 109.5 . .
C43 C45 H45B 109.5 . .
C43 C45 H45C 109.5 . .
H45A C45 H45B 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O19 C47 O20 125.3(8) . .
O19 C47 C48 117.0(9) . .
O20 C47 C48 117.7(9) . .
O31 C77 C78 114.5(9) . .
O32 C77 O31 126.9(9) . .
O32 C77 C78 118.5(9) . .
H56A C56 H56B 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C53 C56 H56A 109.5 . .
C53 C56 H56B 109.5 . .
C53 C56 H56C 109.5 . .
O22 C52 C53 117.0(8) . .
O21 C52 O22 125.3(8) . .
O21 C52 C53 117.4(8) . .
C77 C78 C80 104.8(10) . .
C79 C78 C77 110.4(8) . .
C79 C78 C80 108.8(9) . .
C79 C78 C81 111.5(13) . .
C81 C78 C77 109.9(10) . .
C81 C78 C80 111.3(12) . .
C56 C53 C52 110.8(8) . .
C56 C53 C54 106.1(10) . .
C52 C53 C54 103.8(9) . .
C55 C53 C56 112.3(12) . .
C55 C53 C52 110.1(10) . .
C55 C53 C54 113.4(15) . .
C40 C38 C37 104.1(9) . .
C41 C38 C37 110.7(9) . .
C41 C38 C40 106.2(10) . .
C39 C38 C37 108.6(9) . .
C39 C38 C40 118.4(14) . .
C39 C38 C41 108.8(11) . .
C78 C79 H79A 109.5 . .
C78 C79 H79B 109.5 . .
C78 C79 H79C 109.5 . .
H79A C79 H79B 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
O15 C37 C38 117.7(9) . .
O16 C37 O15 126.7(8) . .
O16 C37 C38 115.6(9) . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64B 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C43 C46 H46A 109.5 . .
C43 C46 H46B 109.5 . .
C43 C46 H46C 109.5 . .
H46A C46 H46B 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C38 C40 H40A 109.5 . .
C38 C40 H40B 109.5 . .
C38 C40 H40C 109.5 . .
H40A C40 H40B 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
H50A C50 H50B 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C48 C50 H50A 109.5 . .
C48 C50 H50B 109.5 . .
C48 C50 H50C 109.5 . .
C63 C65 H65A 109.5 . .
C63 C65 H65B 109.5 . .
C63 C65 H65C 109.5 . .
H65A C65 H65B 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36B 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C47 C48 C51 105.6(10) . .
C50 C48 C47 108.6(8) . .
C50 C48 C51 106.0(9) . .
C49 C48 C47 110.9(9) . .
C49 C48 C50 113.2(13) . .
C49 C48 C51 112.1(14) . .
C38 C41 H41A 109.5 . .
C38 C41 H41B 109.5 . .
C38 C41 H41C 109.5 . .
H41A C41 H41B 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C48 C51 H51A 109.5 . .
C48 C51 H51B 109.5 . .
C48 C51 H51C 109.5 . .
H51A C51 H51B 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C58 C61 H61A 109.5 . .
C58 C61 H61B 109.5 . .
C58 C61 H61C 109.5 . .
H61A C61 H61B 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C78 C80 H80A 109.5 . .
C78 C80 H80B 109.5 . .
C78 C80 H80C 109.5 . .
H80A C80 H80B 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39B 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54B 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C58 C59 H59A 109.5 . .
C58 C59 H59B 109.5 . .
C58 C59 H59C 109.5 . .
H59A C59 H59B 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C28 C31 H31A 109.5 . .
C28 C31 H31B 109.5 . .
C28 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C68 C71 H71A 109.5 . .
C68 C71 H71B 109.5 . .
C68 C71 H71C 109.5 . .
H71A C71 H71B 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C73 C76 H76A 109.5 . .
C73 C76 H76B 109.5 . .
C73 C76 H76C 109.5 . .
H76A C76 H76B 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C78 C81 H81A 109.5 . .
C78 C81 H81B 109.5 . .
C78 C81 H81C 109.5 . .
H81A C81 H81B 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C48 C49 H49A 109.5 . .
C48 C49 H49B 109.5 . .
C48 C49 H49C 109.5 . .
H49A C49 H49B 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C53 C55 H55A 109.5 . .
C53 C55 H55B 109.5 . .
C53 C55 H55C 109.5 . .
H55A C55 H55B 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C73 C75 H75A 109.5 . .
C73 C75 H75B 109.5 . .
C73 C75 H75C 109.5 . .
H75A C75 H75B 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C58 C60 H60A 109.5 . .
C58 C60 H60B 109.5 . .
C58 C60 H60C 109.5 . .
H60A C60 H60B 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C68 C69 H69A 109.5 . .
C68 C69 H69B 109.5 . .
C68 C69 H69C 109.5 . .
H69A C69 H69B 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74B 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
H1AA C1A H1AB 109.5 . .
H1AA C1A H1AC 109.5 . .
H1AB C1A H1AC 109.5 . .
C1C C1A H1AA 109.5 . .
C1C C1A H1AB 109.5 . .
C1C C1A H1AC 109.5 . .
H10D N100 H10E 106.8 . .
C101 N100 H10D 107.0 . .
C101 N100 H10E 107.0 . .
C101 N100 C1B 121.2(8) . .
C1B N100 H10D 107.0 . .
C1B N100 H10E 107.0 . .
N100 C101 H10F 108.0 . .
N100 C101 H10G 108.0 . .
N100 C101 C1C 117.2(8) . .
H10F C101 H10G 107.3 . .
C1C C101 H10F 108.0 . .
C1C C101 H10G 108.0 . .
N100 C1B H1BA 107.9 . .
N100 C1B H1BB 107.9 . .
N100 C1B C105 117.8(8) . .
H1BA C1B H1BB 107.2 . .
C105 C1B H1BA 107.9 . .
C105 C1B H1BB 107.9 . .
C1A C1C H1CA 108.2 . .
C1A C1C H1CB 108.2 . .
C101 C1C C1A 116.4(9) . .
C101 C1C H1CA 108.2 . .
C101 C1C H1CB 108.2 . .
H1CA C1C H1CB 107.4 . .
H10H C106 H10I 109.5 . .
H10H C106 H10J 109.5 . .
H10I C106 H10J 109.5 . .
C105 C106 H10H 109.5 . .
C105 C106 H10I 109.5 . .
C105 C106 H10J 109.5 . .
C1B C105 C106 116.5(10) . .
C1B C105 H10K 108.2 . .
C1B C105 H10L 108.2 . .
C106 C105 H10K 108.2 . .
C106 C105 H10L 108.2 . .
H10K C105 H10L 107.3 . .
C68 C70 H70A 109.5 . .
C68 C70 H70B 109.5 . .
C68 C70 H70C 109.5 . .
H70A C70 H70B 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
F1 Cr1B F8 85.0(4) . .
F1 Cr1B O3 94.5(4) . .
F1 Cr1B O1 89.5(4) . .
F1 Cr1B O30 90.1(4) . .
F1 Cr1B O32 175.8(5) . .
F8 Cr1B O32 91.2(4) . .
O3 Cr1B F8 178.0(5) . .
O3 Cr1B O1 94.4(5) . .
O3 Cr1B O30 86.8(4) . .
O3 Cr1B O32 89.3(4) . .
O1 Cr1B F8 87.6(4) . .
O1 Cr1B O30 178.8(6) . .
O1 Cr1B O32 88.4(4) . .
O30 Cr1B F8 91.2(4) . .
O30 Cr1B O32 91.9(4) . .
F2 Ni1B O7 94.1(3) . .
F2 Ni1B O2 86.9(3) . .
F1 Ni1B F2 86.7(3) . .
F1 Ni1B O5 89.0(4) . .
F1 Ni1B O7 179.0(4) . .
F1 Ni1B O2 91.0(3) . .
F1 Ni1B O4 91.7(3) . .
O5 Ni1B F2 89.3(3) . .
O5 Ni1B O7 90.4(4) . .
O5 Ni1B O2 176.2(4) . .
O7 Ni1B O2 89.7(4) . .
O4 Ni1B F2 177.8(5) . .
O4 Ni1B O5 89.2(3) . .
O4 Ni1B O7 87.5(4) . .
O4 Ni1B O2 94.6(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 Rh1 2.4036(12) 2_655
Rh1 N1 2.223(6) .
Rh1 O34 2.028(5) 2_655
Rh1 O33 2.037(5) .
Rh1 O36 2.029(5) 2_655
Rh1 O35 2.047(5) .
Ni1A F1 1.986(7) .
Ni1A F8 2.009(7) .
Ni1A O3 1.967(8) .
Ni1A O1 1.984(8) .
Ni1A O30 1.988(8) .
Ni1A O32 1.978(8) .
Cr5 F6 1.930(4) .
Cr5 F5 1.922(4) .
Cr5 O23 1.932(6) .
Cr5 O20 1.953(6) .
Cr5 O18 1.963(5) .
Cr5 O21 1.955(5) .
Cr3 F3 1.915(4) .
Cr3 F4 1.924(4) .
Cr3 O13 1.963(6) .
Cr3 O10 1.954(5) .
Cr3 O15 1.959(6) .
Cr3 O12 1.953(6) .
Cr6 F6 1.924(4) .
Cr6 F7 1.931(4) .
Cr6 O25 1.959(6) .
Cr6 O22 1.963(6) .
Cr6 O24 1.955(5) .
Cr6 O27 1.951(6) .
Cr4 F5 1.919(4) .
Cr4 F4 1.914(4) .
Cr4 O19 1.946(6) .
Cr4 O14 1.966(6) .
Cr4 O17 1.967(6) .
Cr4 O16 1.945(6) .
Cr2 F2 1.901(4) .
Cr2 F3 1.944(4) .
Cr2 O6 1.943(5) .
Cr2 O8 1.934(6) .
Cr2 O9 1.969(5) .
Cr2 O11 1.956(6) .
Cr1A F2 2.019(8) .
Cr1A F1 1.969(9) .
Cr1A O5 1.981(8) .
Cr1A O7 1.986(10) .
Cr1A O2 1.996(7) .
Cr1A O4 1.936(9) .
Cr7 F7 1.937(4) .
Cr7 F8 1.905(4) .
Cr7 O28 1.957(6) .
Cr7 O29 1.950(6) .
Cr7 O26 1.970(6) .
Cr7 O31 1.925(6) .
F2 Ni1B 1.991(7) .
F1 Cr1B 1.957(9) .
F1 Ni1B 1.956(8) .
N1 C5 1.347(10) .
N1 C4 1.347(10) .
O34 Rh1 2.028(5) 2_655
O34 C82 1.295(9) .
O33 C82 1.259(9) .
O36 Rh1 2.029(5) 2_655
O36 C84 1.281(9) .
F8 Cr1B 2.003(10) .
O19 C47 1.250(11) .
O35 C84 1.275(10) .
O3 C7 1.261(10) .
O3 Cr1B 1.972(10) .
O25 C62 1.261(9) .
O5 C12 1.240(10) .
O5 Ni1B 1.974(9) .
C6 H6 0.9500 .
C6 C2 1.393(11) .
C6 C5 1.366(11) .
O6 C12 1.296(10) .
O7 C17 1.235(10) .
O7 Ni1B 1.998(10) .
O22 C52 1.268(10) .
O28 C67 1.238(11) .
O13 C32 1.247(10) .
O2 C1 1.246(9) .
O2 Ni1B 2.000(9) .
O1 C1 1.259(10) .
O1 Cr1B 1.978(10) .
O29 C72 1.265(10) .
C33 C32 1.522(12) .
C33 C35 1.507(16) .
C33 C34 1.552(14) .
C33 C36 1.485(14) .
O30 C72 1.239(11) .
O30 Cr1B 1.993(10) .
O23 C57 1.265(10) .
O20 C47 1.276(11) .
O14 C32 1.262(10) .
O24 C57 1.259(10) .
O8 C17 1.270(10) .
O26 C62 1.272(10) .
O10 C22 1.257(9) .
C2 C3 1.381(11) .
C2 C1 1.519(11) .
O9 C22 1.250(9) .
O15 C37 1.253(11) .
O17 C42 1.271(10) .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C85 C84 1.493(12) .
O31 C77 1.275(11) .
C63 C62 1.510(12) .
C63 C66 1.535(13) .
C63 C64 1.551(13) .
C63 C65 1.544(13) .
C8 C7 1.516(12) .
C8 C9 1.461(17) .
C8 C10 1.513(14) .
C8 C11 1.514(17) .
O4 C7 1.267(10) .
O4 Ni1B 1.964(8) .
O18 C42 1.273(10) .
O11 C27 1.258(11) .
O32 C77 1.247(11) .
O32 Cr1B 2.007(10) .
C23 C22 1.541(11) .
C23 C24 1.531(12) .
C23 C25 1.523(12) .
C23 C26 1.530(13) .
O12 C27 1.264(11) .
O27 C67 1.278(10) .
C5 H5 0.9500 .
O21 C52 1.250(10) .
O16 C37 1.247(11) .
C3 H3 0.9500 .
C3 C4 1.371(11) .
C73 C72 1.575(13) .
C73 C76 1.54(2) .
C73 C75 1.448(19) .
C73 C74 1.463(16) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C29 C28 1.614(19) .
C43 C42 1.515(12) .
C43 C44 1.529(14) .
C43 C45 1.514(12) .
C43 C46 1.544(14) .
C12 C13 1.509(12) .
C58 C57 1.528(12) .
C58 C61 1.539(16) .
C58 C59 1.566(16) .
C58 C60 1.443(14) .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C83 C82 1.489(11) .
C67 C68 1.525(14) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C14 C13 1.557(14) .
C18 C17 1.518(15) .
C18 C19 1.457(17) .
C18 C21 1.76(2) .
C18 C20 1.362(18) .
C68 C71 1.552(17) .
C68 C69 1.54(2) .
C68 C70 1.426(19) .
C27 C28 1.530(14) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C4 H4 0.9500 .
C28 C30 1.443(16) .
C28 C31 1.478(18) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C13 C16 1.487(16) .
C13 C15 1.545(14) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C47 C48 1.527(13) .
C77 C78 1.538(13) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C56 C53 1.492(14) .
C52 C53 1.539(13) .
C78 C79 1.512(15) .
C78 C80 1.559(17) .
C78 C81 1.522(18) .
C53 C54 1.57(2) .
C53 C55 1.469(18) .
C38 C37 1.554(12) .
C38 C40 1.538(17) .
C38 C41 1.533(16) .
C38 C39 1.459(17) .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C50 C48 1.480(14) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C48 C51 1.57(2) .
C48 C49 1.454(18) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C1A H1AA 0.9800 .
C1A H1AB 0.9800 .
C1A H1AC 0.9800 .
C1A C1C 1.496(14) .
N100 H10D 0.9200 .
N100 H10E 0.9200 .
N100 C101 1.429(12) .
N100 C1B 1.444(12) .
C101 H10F 0.9900 .
C101 H10G 0.9900 .
C101 C1C 1.470(14) .
C1B H1BA 0.9900 .
C1B H1BB 0.9900 .
C1B C105 1.456(14) .
C1C H1CA 0.9900 .
C1C H1CB 0.9900 .
C106 H10H 0.9800 .
C106 H10I 0.9800 .
C106 H10J 0.9800 .
C106 C105 1.485(15) .
C105 H10K 0.9900 .
C105 H10L 0.9900 .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
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
Rh1 Rh1 N1 C5 81(4) 2_655
Rh1 Rh1 N1 C4 -89(4) 2_655
Rh1 Rh1 O33 C82 -5.0(5) 2_655
Rh1 Rh1 O35 C84 -3.5(6) 2_655
Rh1 N1 C5 C6 -167.8(6) .
Rh1 N1 C4 C3 168.4(6) .
Rh1 O34 C82 O33 -6.4(10) 2_655
Rh1 O34 C82 C83 170.4(5) 2_655
Rh1 O33 C82 O34 8.1(10) .
Rh1 O33 C82 C83 -168.7(6) .
Rh1 O36 C84 O35 -5.5(11) 2_655
Rh1 O36 C84 C85 174.3(6) 2_655
Rh1 O35 C84 O36 6.4(11) .
Rh1 O35 C84 C85 -173.4(6) .
Ni1A F1 Cr1B F8 -120(100) .
Ni1A F1 Cr1B O3 58(100) .
Ni1A F1 Cr1B O1 153(100) .
Ni1A F1 Cr1B O30 -29(100) .
Ni1A F1 Cr1B O32 -147(100) .
Ni1A F1 Ni1B F2 -132.8(3) .
Ni1A F1 Ni1B O5 137.9(3) .
Ni1A F1 Ni1B O7 87(37) .
Ni1A F1 Ni1B O2 -46.0(4) .
Ni1A F1 Ni1B O4 48.7(4) .
Ni1A F8 Cr1B F1 170(100) .
Ni1A F8 Cr1B O3 95(34) .
Ni1A F8 Cr1B O1 -100(29) .
Ni1A F8 Cr1B O30 80(29) .
Ni1A F8 Cr1B O32 -11(29) .
Ni1A O3 C7 C8 -153.8(7) .
Ni1A O3 C7 O4 22.7(14) .
Ni1A O3 Cr1B F1 -171(100) .
Ni1A O3 Cr1B F8 -95(34) .
Ni1A O3 Cr1B O1 100(29) .
Ni1A O3 Cr1B O30 -81(29) .
Ni1A O3 Cr1B O32 11(29) .
Ni1A O1 C1 O2 -10.2(12) .
Ni1A O1 C1 C2 168.1(5) .
Ni1A O1 Cr1B F1 -175(100) .
Ni1A O1 Cr1B F8 100(30) .
Ni1A O1 Cr1B O3 -80(30) .
Ni1A O1 Cr1B O30 116(50) .
Ni1A O1 Cr1B O32 9(30) .
Ni1A O30 C72 O29 -14.3(15) .
Ni1A O30 C72 C73 167.3(7) .
Ni1A O30 Cr1B F1 175(100) .
Ni1A O30 Cr1B F8 -100(30) .
Ni1A O30 Cr1B O3 80(29) .
Ni1A O30 Cr1B O1 -116(50) .
Ni1A O30 Cr1B O32 -9(29) .
Ni1A O32 C77 O31 -7.8(13) .
Ni1A O32 C77 C78 169.5(7) .
Ni1A O32 Cr1B F1 156(100) .
Ni1A O32 Cr1B F8 129(100) .
Ni1A O32 Cr1B O3 -49(100) .
Ni1A O32 Cr1B O1 -144(100) .
Ni1A O32 Cr1B O30 38(100) .
Cr5 O23 C57 O24 -21.8(14) .
Cr5 O23 C57 C58 160.6(6) .
Cr5 O20 C47 O19 17.9(13) .
Cr5 O20 C47 C48 -161.8(7) .
Cr5 O18 C42 O17 15.1(13) .
Cr5 O18 C42 C43 -164.3(5) .
Cr5 O21 C52 O22 -18.4(12) .
Cr5 O21 C52 C53 155.5(7) .
Cr3 O13 C32 C33 165.5(6) .
Cr3 O13 C32 O14 -11.9(12) .
Cr3 O10 C22 O9 7.2(13) .
Cr3 O10 C22 C23 -176.4(5) .
Cr3 O15 C37 O16 -17.8(14) .
Cr3 O15 C37 C38 164.6(6) .
Cr3 O12 C27 O11 9.2(15) .
Cr3 O12 C27 C28 -167.2(8) .
Cr6 O25 C62 O26 13.1(12) .
Cr6 O25 C62 C63 -163.2(6) .
Cr6 O22 C52 O21 -12.9(14) .
Cr6 O22 C52 C53 173.2(7) .
Cr6 O24 C57 O23 -12.5(13) .
Cr6 O24 C57 C58 165.1(6) .
Cr6 O27 C67 O28 16.4(15) .
Cr6 O27 C67 C68 -162.9(8) .
Cr4 O19 C47 O20 16.6(14) .
Cr4 O19 C47 C48 -163.8(7) .
Cr4 O14 C32 O13 -18.0(13) .
Cr4 O14 C32 C33 164.5(6) .
Cr4 O17 C42 O18 17.9(12) .
Cr4 O17 C42 C43 -162.6(5) .
Cr4 O16 C37 O15 -14.2(14) .
Cr4 O16 C37 C38 163.5(6) .
Cr2 F2 Ni1B F1 -145.3(3) .
Cr2 F2 Ni1B O5 -56.2(4) .
Cr2 F2 Ni1B O7 34.1(4) .
Cr2 F2 Ni1B O2 123.6(3) .
Cr2 F2 Ni1B O4 -102(12) .
Cr2 O6 C12 O5 -13.2(13) .
Cr2 O6 C12 C13 167.7(6) .
Cr2 O8 C17 O7 -24.9(14) .
Cr2 O8 C17 C18 152.2(10) .
Cr2 O9 C22 O10 19.7(12) .
Cr2 O9 C22 C23 -156.8(5) .
Cr2 O11 C27 O12 19.7(16) .
Cr2 O11 C27 C28 -163.9(8) .
Cr1A F2 Ni1B F1 152(100) .
Cr1A F2 Ni1B O5 -119(54) .
Cr1A F2 Ni1B O7 -29(53) .
Cr1A F2 Ni1B O2 61(54) .
Cr1A F2 Ni1B O4 -165(100) .
Cr1A F1 Cr1B F8 144.5(4) .
Cr1A F1 Cr1B O3 -37.4(5) .
Cr1A F1 Cr1B O1 56.9(5) .
Cr1A F1 Cr1B O30 -124.2(4) .
Cr1A F1 Cr1B O32 117(8) .
Cr1A F1 Ni1B F2 -169(100) .
Cr1A F1 Ni1B O5 102(24) .
Cr1A F1 Ni1B O7 51(27) .
Cr1A F1 Ni1B O2 -82(24) .
Cr1A F1 Ni1B O4 13(24) .
Cr1A O5 C12 O6 -14.2(13) .
Cr1A O5 C12 C13 164.9(7) .
Cr1A O5 Ni1B F2 160(30) .
Cr1A O5 Ni1B F1 -113(30) .
Cr1A O5 Ni1B O7 66(30) .
Cr1A O5 Ni1B O2 157(36) .
Cr1A O5 Ni1B O4 -21(30) .
Cr1A O7 C17 O8 -3.0(15) .
Cr1A O7 C17 C18 180.0(10) .
Cr1A O7 Ni1B F2 168(100) .
Cr1A O7 Ni1B F1 -51(28) .
Cr1A O7 Ni1B O5 -102(24) .
Cr1A O7 Ni1B O2 81(24) .
Cr1A O7 Ni1B O4 -13(24) .
Cr1A O2 C1 O1 31.2(12) .
Cr1A O2 C1 C2 -147.1(6) .
Cr1A O2 Ni1B F2 -160(30) .
Cr1A O2 Ni1B F1 113(30) .
Cr1A O2 Ni1B O5 -157(35) .
Cr1A O2 Ni1B O7 -66(30) .
Cr1A O2 Ni1B O4 21(30) .
Cr1A O4 C7 O3 1.2(15) .
Cr1A O4 C7 C8 177.9(7) .
Cr1A O4 Ni1B F2 166(100) .
Cr1A O4 Ni1B F1 -151(100) .
Cr1A O4 Ni1B O5 120(49) .
Cr1A O4 Ni1B O7 30(49) .
Cr1A O4 Ni1B O2 -59(49) .
Cr7 F8 Cr1B F1 129.5(3) .
Cr7 F8 Cr1B O3 54(16) .
Cr7 F8 Cr1B O1 -140.9(3) .
Cr7 F8 Cr1B O30 39.5(5) .
Cr7 F8 Cr1B O32 -52.5(5) .
Cr7 O28 C67 O27 14.0(15) .
Cr7 O28 C67 C68 -166.7(8) .
Cr7 O29 C72 O30 -14.0(13) .
Cr7 O29 C72 C73 164.4(7) .
Cr7 O26 C62 O25 16.2(14) .
Cr7 O26 C62 C63 -167.5(6) .
Cr7 O31 C77 O32 -23.1(15) .
Cr7 O31 C77 C78 159.4(7) .
F6 Cr5 F5 Cr4 -126.8(3) .
F6 Cr5 O23 C57 8.8(8) .
F6 Cr5 O20 C47 27(12) .
F6 Cr5 O18 C42 84.2(7) .
F6 Cr5 O21 C52 45.8(7) .
F6 Cr6 F7 Cr7 145.7(3) .
F6 Cr6 O25 C62 -130.4(7) .
F6 Cr6 O22 C52 1.9(8) .
F6 Cr6 O24 C57 43.1(7) .
F6 Cr6 O27 C67 128(7) .
F2 Cr2 F3 Cr3 143.1(3) .
F2 Cr2 O6 C12 -3.3(7) .
F2 Cr2 O8 C17 46.8(8) .
F2 Cr2 O9 C22 -132.2(7) .
F2 Cr2 O11 C27 -120(14) .
F2 Cr1A F1 Ni1A -133.3(3) .
F2 Cr1A F1 Cr1B -133.1(4) .
F2 Cr1A F1 Ni1B 11(24) .
F2 Cr1A O5 C12 43.0(8) .
F2 Cr1A O5 Ni1B -20(30) .
F2 Cr1A O7 C17 -2.6(9) .
F2 Cr1A O7 Ni1B -11(24) .
F2 Cr1A O2 C1 84.6(7) .
F2 Cr1A O2 Ni1B 19(30) .
F2 Cr1A O4 C7 -73(8) .
F2 Cr1A O4 Ni1B -10(44) .
F5 Cr5 F6 Cr6 -145.1(3) .
F5 Cr5 O23 C57 -169(100) .
F5 Cr5 O20 C47 -46.1(7) .
F5 Cr5 O18 C42 -4.0(7) .
F5 Cr5 O21 C52 134.0(7) .
F5 Cr4 F4 Cr3 126.6(3) .
F5 Cr4 O19 C47 -6.7(9) .
F5 Cr4 O14 C32 -85.1(7) .
F5 Cr4 O17 C42 -46.8(7) .
F5 Cr4 O16 C37 39(22) .
F1 Ni1A F8 Cr7 129.9(3) .
F1 Ni1A F8 Cr1B -9(29) .
F1 Ni1A O3 C7 -2.6(8) .
F1 Ni1A O3 Cr1B 9(29) .
F1 Ni1A O1 C1 -30.0(7) .
F1 Ni1A O1 Cr1B 5(30) .
F1 Ni1A O30 C72 -84.1(9) .
F1 Ni1A O30 Cr1B -5(29) .
F1 Ni1A O32 C77 69(6) .
F1 Ni1A O32 Cr1B -22(100) .
F1 Cr1A F2 Cr2 -145.3(3) .
F1 Cr1A F2 Ni1B -28(54) .
F1 Cr1A O5 C12 128.6(8) .
F1 Cr1A O5 Ni1B 66(30) .
F1 Cr1A O7 C17 47(21) .
F1 Cr1A O7 Ni1B 38(21) .
F1 Cr1A O2 C1 -0.9(8) .
F1 Cr1A O2 Ni1B -66(30) .
F1 Cr1A O4 C7 -33.5(9) .
F1 Cr1A O4 Ni1B 29(49) .
F3 Cr3 F4 Cr4 -142.1(3) .
F3 Cr3 O13 C32 129.4(7) .
F3 Cr3 O10 C22 3.6(8) .
F3 Cr3 O15 C37 115(36) .
F3 Cr3 O12 C27 -39.0(8) .
F3 Cr2 F2 Cr1A 133.8(3) .
F3 Cr2 F2 Ni1B 133.5(3) .
F3 Cr2 O6 C12 -91.4(7) .
F3 Cr2 O8 C17 -177(100) .
F3 Cr2 O9 C22 -44.2(7) .
F3 Cr2 O11 C27 -5.1(9) .
N1 Rh1 O33 C82 175.7(6) .
N1 Rh1 O35 C84 175.8(6) .
O34 Rh1 N1 C5 -28.3(6) 2_655
O34 Rh1 N1 C4 162.5(6) 2_655
O34 Rh1 O33 C82 83.3(6) 2_655
O34 Rh1 O35 C84 -91.7(6) 2_655
O33 Rh1 N1 C5 -116.8(5) .
O33 Rh1 N1 C4 74.0(6) .
O33 Rh1 O35 C84 1(3) .
F4 Cr3 F3 Cr2 -130.2(3) .
F4 Cr3 O13 C32 41.3(7) .
F4 Cr3 O10 C22 91.7(8) .
F4 Cr3 O15 C37 5.0(8) .
F4 Cr3 O12 C27 -167(100) .
F4 Cr4 F5 Cr5 145.0(3) .
F4 Cr4 O19 C47 179(100) .
F4 Cr4 O14 C32 3.9(7) .
F4 Cr4 O17 C42 -135.8(6) .
F4 Cr4 O16 C37 43.6(8) .
O36 Rh1 N1 C5 151.9(6) 2_655
O36 Rh1 N1 C4 -17.3(6) 2_655
O36 Rh1 O33 C82 -93.3(6) 2_655
O36 Rh1 O35 C84 84.9(6) 2_655
F7 Cr6 F6 Cr5 128.7(3) .
F7 Cr6 O25 C62 -42.6(7) .
F7 Cr6 O22 C52 -85.9(8) .
F7 Cr6 O24 C57 57(10) .
F7 Cr6 O27 C67 -4.0(8) .
F7 Cr7 F8 Ni1A -145.1(3) .
F7 Cr7 F8 Cr1B -144.4(4) .
F7 Cr7 O28 C67 -42.0(8) .
F7 Cr7 O29 C72 133.0(7) .
F7 Cr7 O26 C62 -1.5(8) .
F7 Cr7 O31 C77 -137(5) .
F8 Ni1A F1 Cr1A 144.5(3) .
F8 Ni1A F1 Cr1B 60(100) .
F8 Ni1A F1 Ni1B 144.0(3) .
F8 Ni1A O3 C7 35(9) .
F8 Ni1A O3 Cr1B 47(24) .
F8 Ni1A O1 C1 -114.2(7) .
F8 Ni1A O1 Cr1B -79(30) .
F8 Ni1A O30 C72 0.0(9) .
F8 Ni1A O30 Cr1B 79(30) .
F8 Ni1A O32 C77 39.5(7) .
F8 Ni1A O32 Cr1B -51(100) .
F8 Cr7 F7 Cr6 -130.5(3) .
F8 Cr7 O28 C67 -89(21) .
F8 Cr7 O29 C72 44.3(7) .
F8 Cr7 O26 C62 87.3(8) .
F8 Cr7 O31 C77 5.8(9) .
O19 Cr4 F5 Cr5 -34.8(3) .
O19 Cr4 F4 Cr3 -59(6) .
O19 Cr4 O14 C32 -178.6(7) .
O19 Cr4 O17 C42 46.6(7) .
O19 Cr4 O16 C37 -136.6(8) .
O19 C47 C48 C50 66.1(12) .
O19 C47 C48 C51 -47.2(12) .
O19 C47 C48 C49 -168.9(15) .
O35 Rh1 N1 C5 63.5(6) .
O35 Rh1 N1 C4 -105.6(6) .
O35 Rh1 O33 C82 -9(3) .
O3 Ni1A F1 Cr1A -37.2(4) .
O3 Ni1A F1 Cr1B -122(100) .
O3 Ni1A F1 Ni1B -37.7(4) .
O3 Ni1A F8 Cr7 92(9) .
O3 Ni1A F8 Cr1B -47(24) .
O3 Ni1A O1 C1 63.6(7) .
O3 Ni1A O1 Cr1B 99(30) .
O3 Ni1A O30 C72 -177.9(8) .
O3 Ni1A O30 Cr1B -99(30) .
O3 Ni1A O32 C77 -138.9(7) .
O3 Ni1A O32 Cr1B 131(100) .
O25 Cr6 F6 Cr5 -141.1(3) .
O25 Cr6 F7 Cr7 55.8(3) .
O25 Cr6 O22 C52 180(100) .
O25 Cr6 O24 C57 133.0(7) .
O25 Cr6 O27 C67 -94.3(8) .
O5 Cr1A F2 Cr2 -56.7(4) .
O5 Cr1A F2 Ni1B 61(54) .
O5 Cr1A F1 Ni1A 138.3(3) .
O5 Cr1A F1 Cr1B 138.5(4) .
O5 Cr1A F1 Ni1B -77(24) .
O5 Cr1A O7 C17 85.8(9) .
O5 Cr1A O7 Ni1B 77(24) .
O5 Cr1A O2 C1 81(5) .
O5 Cr1A O2 Ni1B 16(25) .
O5 Cr1A O4 C7 -122.0(8) .
O5 Cr1A O4 Ni1B -59(49) .
O5 C12 C13 C14 13.3(12) .
O5 C12 C13 C16 -104.3(10) .
O5 C12 C13 C15 134.4(10) .
C6 C2 C3 C4 1.5(12) .
C6 C2 C1 O2 7.7(11) .
C6 C2 C1 O1 -170.8(7) .
O6 Cr2 F2 Cr1A 43.8(4) .
O6 Cr2 F2 Ni1B 43.4(4) .
O6 Cr2 F3 Cr3 -124.2(3) .
O6 Cr2 O8 C17 -46.0(8) .
O6 Cr2 O9 C22 42(6) .
O6 Cr2 O11 C27 85.1(9) .
O6 C12 C13 C14 -167.5(8) .
O6 C12 C13 C16 74.9(10) .
O6 C12 C13 C15 -46.4(12) .
O7 Cr1A F2 Cr2 33.8(4) .
O7 Cr1A F2 Ni1B 151(100) .
O7 Cr1A F1 Ni1A 177(100) .
O7 Cr1A F1 Cr1B 178(100) .
O7 Cr1A F1 Ni1B -38(21) .
O7 Cr1A O5 C12 -50.6(8) .
O7 Cr1A O5 Ni1B -113(30) .
O7 Cr1A O2 C1 178.2(6) .
O7 Cr1A O2 Ni1B 113(30) .
O7 Cr1A O4 C7 147.5(8) .
O7 Cr1A O4 Ni1B -150(100) .
O22 Cr6 F6 Cr5 38.8(3) .
O22 Cr6 F7 Cr7 -123.2(3) .
O22 Cr6 O25 C62 52(14) .
O22 Cr6 O24 C57 -48.0(7) .
O22 Cr6 O27 C67 85.7(8) .
O22 C52 C53 C56 -150.2(8) .
O22 C52 C53 C54 96.3(11) .
O22 C52 C53 C55 -25.4(18) .
O28 Cr7 F7 Cr6 50.0(3) .
O28 Cr7 F8 Ni1A -98(21) .
O28 Cr7 F8 Cr1B -97(21) .
O28 Cr7 O29 C72 -136.2(7) .
O28 Cr7 O26 C62 -92.2(8) .
O28 Cr7 O31 C77 -174.7(9) .
O28 C67 C68 C71 -135.8(12) .
O28 C67 C68 C69 122.0(13) .
O28 C67 C68 C70 11(2) .
O13 Cr3 F3 Cr2 139.1(3) .
O13 Cr3 F4 Cr4 -52.8(3) .
O13 Cr3 O10 C22 -159(8) .
O13 Cr3 O15 C37 95.6(8) .
O13 Cr3 O12 C27 -128.3(8) .
O2 Cr1A F2 Cr2 123.7(3) .
O2 Cr1A F2 Ni1B -119(54) .
O2 Cr1A F1 Ni1A -47.1(4) .
O2 Cr1A F1 Cr1B -46.9(5) .
O2 Cr1A F1 Ni1B 97(24) .
O2 Cr1A O5 C12 47(6) .
O2 Cr1A O5 Ni1B -16(26) .
O2 Cr1A O7 C17 -88.8(9) .
O2 Cr1A O7 Ni1B -98(24) .
O2 Cr1A O4 C7 57.4(9) .
O2 Cr1A O4 Ni1B 120(49) .
O1 Ni1A F1 Cr1A 57.1(4) .
O1 Ni1A F1 Cr1B -27(100) .
O1 Ni1A F1 Ni1B 56.5(4) .
O1 Ni1A F8 Cr7 -141.3(3) .
O1 Ni1A F8 Cr1B 79(29) .
O1 Ni1A O3 C7 -91.3(8) .
O1 Ni1A O3 Cr1B -80(29) .
O1 Ni1A O30 C72 -53(9) .
O1 Ni1A O30 Cr1B 26(24) .
O1 Ni1A O32 C77 126.7(7) .
O1 Ni1A O32 Cr1B 36(100) .
O29 Cr7 F7 Cr6 137.9(3) .
O29 Cr7 F8 Ni1A -55.3(3) .
O29 Cr7 F8 Cr1B -54.7(4) .
O29 Cr7 O28 C67 -131.8(8) .
O29 Cr7 O26 C62 -90(15) .
O29 Cr7 O31 C77 97.5(9) .
O30 Ni1A F1 Cr1A -124.2(4) .
O30 Ni1A F1 Cr1B 151(100) .
O30 Ni1A F1 Ni1B -124.8(4) .
O30 Ni1A F8 Cr7 40.6(4) .
O30 Ni1A F8 Cr1B -99(29) .
O30 Ni1A O3 C7 86.6(8) .
O30 Ni1A O3 Cr1B 98(29) .
O30 Ni1A O1 C1 -61(9) .
O30 Ni1A O1 Cr1B -26(24) .
O30 Ni1A O32 C77 -51.9(7) .
O30 Ni1A O32 Cr1B -142(100) .
O23 Cr5 F6 Cr6 34.9(3) .
O23 Cr5 F5 Cr4 51(12) .
O23 Cr5 O20 C47 133.8(7) .
O23 Cr5 O18 C42 177.1(8) .
O23 Cr5 O21 C52 -47.1(7) .
O20 Cr5 F6 Cr6 142(34) .
O20 Cr5 F5 Cr4 52.1(3) .
O20 Cr5 O23 C57 -170.0(8) .
O20 Cr5 O18 C42 -95.4(8) .
O20 Cr5 O21 C52 -134.6(7) .
O20 C47 C48 C50 -114.2(10) .
O20 C47 C48 C51 132.5(10) .
O20 C47 C48 C49 10.8(18) .
O14 Cr4 F5 Cr5 -123.0(3) .
O14 Cr4 F4 Cr3 38.0(3) .
O14 Cr4 O19 C47 81.8(9) .
O14 Cr4 O17 C42 27(10) .
O14 Cr4 O16 C37 -48.4(8) .
O24 Cr6 F6 Cr5 -51.6(3) .
O24 Cr6 F7 Cr7 131(10) .
O24 Cr6 O25 C62 138.7(7) .
O24 Cr6 O22 C52 92.8(8) .
O24 Cr6 O27 C67 176.3(8) .
O8 Cr2 F2 Cr1A -47.7(4) .
O8 Cr2 F2 Ni1B -48.1(4) .
O8 Cr2 F3 Cr3 7(7) .
O8 Cr2 O6 C12 90.3(7) .
O8 Cr2 O9 C22 134.1(7) .
O8 Cr2 O11 C27 176.5(9) .
O26 Cr7 F7 Cr6 -41.1(3) .
O26 Cr7 F8 Ni1A 124.7(3) .
O26 Cr7 F8 Cr1B 125.4(4) .
O26 Cr7 O28 C67 48.2(8) .
O26 Cr7 O29 C72 -139(15) .
O26 Cr7 O31 C77 -83.5(9) .
O10 Cr3 F3 Cr2 -40.4(3) .
O10 Cr3 F4 Cr4 125.7(3) .
O10 Cr3 O13 C32 -68(9) .
O10 Cr3 O15 C37 -84.9(8) .
O10 Cr3 O12 C27 53.3(8) .
C2 C6 C5 N1 -0.6(11) .
C2 C3 C4 N1 -0.6(12) .
O9 Cr2 F2 Cr1A -136.5(3) .
O9 Cr2 F2 Ni1B -136.8(4) .
O9 Cr2 F3 Cr3 53.5(3) .
O9 Cr2 O6 C12 -178(100) .
O9 Cr2 O8 C17 136.3(8) .
O9 Cr2 O11 C27 -94.7(9) .
O15 Cr3 F3 Cr2 120(41) .
O15 Cr3 F4 Cr4 37.4(3) .
O15 Cr3 O13 C32 -50.8(7) .
O15 Cr3 O10 C22 -176.2(8) .
O15 Cr3 O12 C27 141.6(8) .
O17 Cr4 F5 Cr5 55.6(3) .
O17 Cr4 F4 Cr3 -142.4(3) .
O17 Cr4 O19 C47 -97.7(9) .
O17 Cr4 O14 C32 -159(9) .
O17 Cr4 O16 C37 133.0(8) .
O31 Cr7 F7 Cr6 13(5) .
O31 Cr7 F8 Ni1A 36.7(3) .
O31 Cr7 F8 Cr1B 37.3(4) .
O31 Cr7 O28 C67 136.2(9) .
O31 Cr7 O29 C72 -49.3(7) .
O31 Cr7 O26 C62 -179.1(8) .
O31 C77 C78 C79 -47.3(13) .
O31 C77 C78 C80 69.8(11) .
O31 C77 C78 C81 -170.6(12) .
O4 Cr1A F2 Cr2 -105(8) .
O4 Cr1A F2 Ni1B 12(48) .
O4 Cr1A F1 Ni1A 48.6(4) .
O4 Cr1A F1 Cr1B 48.8(4) .
O4 Cr1A F1 Ni1B -167(100) .
O4 Cr1A O5 C12 -139.2(8) .
O4 Cr1A O5 Ni1B 158(30) .
O4 Cr1A O7 C17 175.5(8) .
O4 Cr1A O7 Ni1B 167(100) .
O4 Cr1A O2 C1 -93.1(7) .
O4 Cr1A O2 Ni1B -158(30) .
O18 Cr5 F6 Cr6 122.9(3) .
O18 Cr5 F5 Cr4 -38.4(3) .
O18 Cr5 O23 C57 -79.5(8) .
O18 Cr5 O20 C47 45.8(7) .
O18 Cr5 O21 C52 -20(6) .
O11 Cr2 F2 Cr1A -111(14) .
O11 Cr2 F2 Ni1B -111(14) .
O11 Cr2 F3 Cr3 -35.9(3) .
O11 Cr2 O6 C12 176.2(7) .
O11 Cr2 O8 C17 -134.1(8) .
O11 Cr2 O9 C22 48.2(7) .
O11 C27 C28 C29 -56.8(14) .
O11 C27 C28 C30 -173.5(12) .
O11 C27 C28 C31 53.9(14) .
O32 Ni1A F1 Cr1A 115(5) .
O32 Ni1A F1 Cr1B 31(100) .
O32 Ni1A F1 Ni1B 115(5) .
O32 Ni1A F8 Cr7 -52.3(4) .
O32 Ni1A F8 Cr1B 168(100) .
O32 Ni1A O3 C7 179.5(8) .
O32 Ni1A O3 Cr1B -169(100) .
O32 Ni1A O1 C1 153.9(7) .
O32 Ni1A O1 Cr1B -171(100) .
O32 Ni1A O30 C72 92.0(9) .
O32 Ni1A O30 Cr1B 171(100) .
O32 C77 C78 C79 135.0(10) .
O32 C77 C78 C80 -107.9(10) .
O32 C77 C78 C81 11.7(16) .
O12 Cr3 F3 Cr2 50.4(3) .
O12 Cr3 F4 Cr4 -14(18) .
O12 Cr3 O13 C32 -138.2(7) .
O12 Cr3 O10 C22 -88.8(8) .
O12 Cr3 O15 C37 -175.7(8) .
O12 C27 C28 C29 119.9(12) .
O12 C27 C28 C30 3.2(18) .
O12 C27 C28 C31 -129.3(11) .
O27 Cr6 F6 Cr5 -3(7) .
O27 Cr6 F7 Cr7 -35.7(3) .
O27 Cr6 O25 C62 50.9(7) .
O27 Cr6 O22 C52 -179.4(8) .
O27 Cr6 O24 C57 -135.6(7) .
O27 C67 C68 C71 43.5(16) .
O27 C67 C68 C69 -58.6(14) .
O27 C67 C68 C70 -169.4(18) .
C5 N1 C4 C3 -1.0(11) .
C5 C6 C2 C3 -0.9(11) .
C5 C6 C2 C1 173.3(7) .
O21 Cr5 F6 Cr6 -55.0(3) .
O21 Cr5 F5 Cr4 142.6(3) .
O21 Cr5 O23 C57 99.4(8) .
O21 Cr5 O20 C47 -136.3(7) .
O21 Cr5 O18 C42 150(6) .
O21 C52 C53 C56 35.4(13) .
O21 C52 C53 C54 -78.1(12) .
O21 C52 C53 C55 160.2(15) .
O16 Cr4 F5 Cr5 150(40) .
O16 Cr4 F4 Cr3 -53.3(3) .
O16 Cr4 O19 C47 173.3(9) .
O16 Cr4 O14 C32 94.2(7) .
O16 Cr4 O17 C42 133.9(7) .
C3 C2 C1 O2 -178.2(7) .
C3 C2 C1 O1 3.3(11) .
C1 O2 Ni1B F2 84.2(7) .
C1 O2 Ni1B F1 -2.4(7) .
C1 O2 Ni1B O5 88(8) .
C1 O2 Ni1B O7 178.3(6) .
C1 O2 Ni1B O4 -94.2(7) .
C1 O1 Cr1B F1 -29.5(8) .
C1 O1 Cr1B F8 -114.5(7) .
C1 O1 Cr1B O3 65.0(8) .
C1 O1 Cr1B O30 -99(30) .
C1 O1 Cr1B O32 154.2(7) .
C1 C2 C3 C4 -172.8(7) .
C12 O5 Ni1B F2 42.1(8) .
C12 O5 Ni1B F1 128.7(8) .
C12 O5 Ni1B O7 -52.1(8) .
C12 O5 Ni1B O2 39(8) .
C12 O5 Ni1B O4 -139.5(8) .
C7 O3 Cr1B F1 -2.3(9) .
C7 O3 Cr1B F8 73(16) .
C7 O3 Cr1B O1 -92.1(8) .
C7 O3 Cr1B O30 87.6(8) .
C7 O3 Cr1B O32 179.5(8) .
C7 O4 Ni1B F2 -76(12) .
C7 O4 Ni1B F1 -33.0(9) .
C7 O4 Ni1B O5 -122.0(8) .
C7 O4 Ni1B O7 147.6(8) .
C7 O4 Ni1B O2 58.1(9) .
C17 O7 Ni1B F2 -2.8(9) .
C17 O7 Ni1B F1 138(100) .
C17 O7 Ni1B O5 86.4(9) .
C17 O7 Ni1B O2 -89.8(9) .
C17 O7 Ni1B O4 175.6(8) .
C35 C33 C32 O13 -104.1(11) .
C35 C33 C32 O14 73.5(11) .
C4 N1 C5 C6 1.5(11) .
C24 C23 C22 O10 144.8(8) .
C24 C23 C22 O9 -38.5(10) .
C72 O30 Cr1B F1 -83.4(9) .
C72 O30 Cr1B F8 1.7(10) .
C72 O30 Cr1B O3 -177.8(8) .
C72 O30 Cr1B O1 -14(30) .
C72 O30 Cr1B O32 92.9(9) .
C44 C43 C42 O17 -0.7(11) .
C44 C43 C42 O18 178.8(8) .
C25 C23 C22 O10 22.1(11) .
C25 C23 C22 O9 -161.1(8) .
C66 C63 C62 O25 -8.6(12) .
C66 C63 C62 O26 174.9(8) .
C9 C8 C7 O3 -19.6(16) .
C9 C8 C7 O4 163.4(13) .
C10 C8 C7 O3 -149.2(9) .
C10 C8 C7 O4 33.9(13) .
C45 C43 C42 O17 119.5(9) .
C45 C43 C42 O18 -61.0(10) .
C34 C33 C32 O13 140.7(9) .
C34 C33 C32 O14 -41.7(11) .
C77 O32 Cr1B F1 66(8) .
C77 O32 Cr1B F8 39.1(8) .
C77 O32 Cr1B O3 -138.9(7) .
C77 O32 Cr1B O1 126.7(7) .
C77 O32 Cr1B O30 -52.2(8) .
C64 C63 C62 O25 110.2(9) .
C64 C63 C62 O26 -66.3(10) .
C46 C43 C42 O17 -122.0(9) .
C46 C43 C42 O18 57.5(10) .
C40 C38 C37 O15 -114.1(11) .
C40 C38 C37 O16 68.0(11) .
C65 C63 C62 O25 -131.1(9) .
C65 C63 C62 O26 52.4(11) .
C36 C33 C32 O13 20.8(12) .
C36 C33 C32 O14 -161.5(9) .
C26 C23 C22 O10 -99.0(9) .
C26 C23 C22 O9 77.8(9) .
C41 C38 C37 O15 -0.4(13) .
C41 C38 C37 O16 -178.3(9) .
C19 C18 C17 O7 -176.9(12) .
C19 C18 C17 O8 5.7(19) .
C61 C58 C57 O23 -39.3(12) .
C61 C58 C57 O24 143.0(10) .
C39 C38 C37 O15 118.9(13) .
C39 C38 C37 O16 -59.0(15) .
C59 C58 C57 O23 71.7(12) .
C59 C58 C57 O24 -106.0(11) .
C11 C8 C7 O3 93.4(13) .
C11 C8 C7 O4 -83.6(13) .
C21 C18 C17 O7 77.7(14) .
C21 C18 C17 O8 -99.7(11) .
C20 C18 C17 O7 -27(2) .
C20 C18 C17 O8 155.4(15) .
C76 C73 C72 O29 -118.6(12) .
C76 C73 C72 O30 60.0(13) .
C75 C73 C72 O29 6.3(18) .
C75 C73 C72 O30 -175.1(15) .
C60 C58 C57 O23 -168.1(11) .
C60 C58 C57 O24 14.2(14) .
C74 C73 C72 O29 129.3(10) .
C74 C73 C72 O30 -52.1(13) .
N100 C101 C1C C1A -179.2(9) .
N100 C1B C105 C106 -178.8(10) .
C101 N100 C1B C105 -177.6(10) .
C1B N100 C101 C1C -173.5(10) .
Cr1B F1 Ni1B F2 -132.6(4) .
Cr1B F1 Ni1B O5 138.0(4) .
Cr1B F1 Ni1B O7 87(37) .
Cr1B F1 Ni1B O2 -45.8(4) .
Cr1B F1 Ni1B O4 48.9(5) .
Cr1B O3 C7 C8 -154.1(7) .
Cr1B O3 C7 O4 22.5(14) .
Cr1B O1 C1 O2 -10.8(13) .
Cr1B O1 C1 C2 167.5(6) .
Cr1B O30 C72 O29 -15.5(15) .
Cr1B O30 C72 C73 166.1(7) .
Cr1B O32 C77 O31 -7.6(13) .
Cr1B O32 C77 C78 169.8(7) .
Ni1B F1 Cr1B F8 144.0(4) .
Ni1B F1 Cr1B O3 -38.0(5) .
Ni1B F1 Cr1B O1 56.4(5) .
Ni1B F1 Cr1B O30 -124.8(4) .
Ni1B F1 Cr1B O32 117(8) .
Ni1B O5 C12 O6 -13.2(13) .
Ni1B O5 C12 C13 165.9(7) .
Ni1B O7 C17 O8 -2.8(15) .
Ni1B O7 C17 C18 -179.8(10) .
Ni1B O2 C1 O1 32.2(12) .
Ni1B O2 C1 C2 -146.0(6) .
Ni1B O4 C7 O3 0.7(15) .
Ni1B O4 C7 C8 177.4(7) .
