#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:25:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178650 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/61/4076144.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_4076144
loop_
_publ_author_name
'Álvarez-Vergara, M. Carmen'
'Casado, Miguel A.'
'Martín, M. Luisa'
'Lahoz, Fernando J.'
'Oro, Luis A.'
'Pérez-Torrente, Jesús J.'
_publ_section_title
;
 Flexible Building Blocks for Transition Metal Early−Late
 Chemistry. Synthesis of Heterobimetallic Tetranuclear Metallomacrocycles
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5929
_journal_paper_doi               10.1021/om050644l
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C86 H84 O4 P4 Rh2 Zr2, 2(C H2 Cl2), 2(B F4)'
_chemical_formula_sum            'C88 H88 B2 Cl4 F8 O4 P4 Rh2 Zr2'
_chemical_formula_weight         2037.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 110.236(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.703(2)
_cell_length_b                   17.9741(18)
_cell_length_c                   25.627(3)
_cell_measurement_reflns_used    3503
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.92
_cell_measurement_theta_min      2.20
_cell_volume                     8515.5(16)
_computing_cell_refinement       'SAINT+ v. 6.01 (Bruker AXS, 2000)'
_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT+ v. 6.01 (Bruker AXS, 2000)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, SHELXTLv6.12, BrukerAXS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0806
_diffrn_reflns_av_sigmaI/netI    0.0992
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            49707
_diffrn_reflns_theta_full        26.11
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         1.13
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    0.888
_exptl_absorpt_correction_T_max  0.9405
_exptl_absorpt_correction_T_min  0.9244
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS: Area-Detector Absorption Correction. (1996)  Bruker-AXS 
 within SAINT+ package, v. 6.01.                    
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             4112
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.999
_refine_diff_density_min         -1.111
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1022
_refine_ls_number_reflns         16821
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.1430
_refine_ls_R_factor_gt           0.0963
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0412P)²+139.9537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2038
_refine_ls_wR_factor_ref         0.2220
_reflns_number_gt                10980
_reflns_number_total             16821
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050644lsi20050728_053708.cif
_cod_data_source_block           compd9
_cod_original_cell_volume        8515.4(15)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4076144
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.62014(4) 0.75188(5) 0.08811(3) 0.02021(19) Uani 1 1 d . . .
Zr1 Zr 0.31582(5) 0.88389(6) -0.10582(4) 0.0193(2) Uani 1 1 d . . .
P1 P 0.53669(14) 0.77931(15) 0.00154(11) 0.0203(6) Uani 1 1 d . . .
P2 P 0.62586(15) 0.86915(15) 0.12661(11) 0.0206(6) Uani 1 1 d . . .
O1 O 0.4052(4) 0.8295(4) -0.0605(3) 0.0246(16) Uani 1 1 d . . .
O2 O 0.6375(4) 1.0181(4) 0.1051(3) 0.0245(16) Uani 1 1 d . . .
C1 C 0.6541(6) 0.6478(6) 0.0584(5) 0.027(2) Uani 1 1 d . . .
H1 H 0.6426 0.6355 0.0182 0.032 Uiso 1 1 calc R . .
C2 C 0.6092(6) 0.6297(6) 0.0884(5) 0.028(3) Uani 1 1 d . . .
H2 H 0.5619 0.6033 0.0716 0.034 Uiso 1 1 calc R . .
C3 C 0.6585(6) 0.6186(6) 0.1485(4) 0.028(3) Uani 1 1 d . . .
H3 H 0.6375 0.5910 0.1732 0.034 Uiso 1 1 calc R . .
C5 C 0.6862(6) 0.6980(6) 0.1667(4) 0.029(3) Uani 1 1 d . . .
H5 H 0.6923 0.7188 0.2043 0.035 Uiso 1 1 calc R . .
C6 C 0.7300(6) 0.7162(7) 0.1374(4) 0.029(3) Uani 1 1 d . . .
H6 H 0.7714 0.7517 0.1517 0.034 Uiso 1 1 calc R . .
C7 C 0.7320(6) 0.6479(7) 0.1017(5) 0.030(3) Uani 1 1 d . . .
H7 H 0.7728 0.6448 0.0870 0.036 Uiso 1 1 calc R . .
C8 C 0.7254(6) 0.5841(6) 0.1404(4) 0.029(3) Uani 1 1 d . . .
H8A H 0.7155 0.5351 0.1216 0.034 Uiso 1 1 calc R . .
H8B H 0.7675 0.5809 0.1753 0.034 Uiso 1 1 calc R . .
C9 C 0.4504(5) 0.8235(6) -0.0053(4) 0.022(2) Uani 1 1 d . . .
H9A H 0.4257 0.7940 0.0155 0.026 Uiso 1 1 calc R . .
H9B H 0.4597 0.8738 0.0115 0.026 Uiso 1 1 calc R . .
C10 C 0.5813(5) 0.8409(6) -0.0341(4) 0.019(2) Uani 1 1 d . . .
C11 C 0.5457(6) 0.9016(6) -0.0659(4) 0.027(2) Uani 1 1 d . . .
H11 H 0.4954 0.9087 -0.0736 0.032 Uiso 1 1 calc R . .
C12 C 0.5841(7) 0.9513(7) -0.0862(5) 0.037(3) Uani 1 1 d . . .
H12 H 0.5599 0.9925 -0.1078 0.045 Uiso 1 1 calc R . .
C13 C 0.6578(7) 0.9415(7) -0.0752(5) 0.035(3) Uani 1 1 d . . .
H13 H 0.6836 0.9758 -0.0896 0.042 Uiso 1 1 calc R . .
C14 C 0.6932(6) 0.8828(6) -0.0436(5) 0.030(3) Uani 1 1 d . . .
H14 H 0.7435 0.8762 -0.0360 0.037 Uiso 1 1 calc R . .
C15 C 0.6550(6) 0.8322(6) -0.0225(4) 0.026(2) Uani 1 1 d . . .
H15 H 0.6798 0.7918 0.0000 0.032 Uiso 1 1 calc R . .
C16 C 0.5076(5) 0.6975(6) -0.0417(4) 0.024(2) Uani 1 1 d . . .
C17 C 0.5358(6) 0.6771(6) -0.0822(4) 0.028(2) Uani 1 1 d . . .
H17 H 0.5664 0.7108 -0.0922 0.033 Uiso 1 1 calc R . .
C18 C 0.5202(6) 0.6079(6) -0.1089(5) 0.031(3) Uani 1 1 d . . .
H18 H 0.5399 0.5944 -0.1365 0.037 Uiso 1 1 calc R . .
C19 C 0.4757(7) 0.5602(7) -0.0940(5) 0.040(3) Uani 1 1 d . . .
H19 H 0.4667 0.5122 -0.1105 0.048 Uiso 1 1 calc R . .
C20 C 0.4440(7) 0.5791(7) -0.0565(5) 0.036(3) Uani 1 1 d . . .
H20 H 0.4114 0.5460 -0.0485 0.043 Uiso 1 1 calc R . .
C21 C 0.4598(6) 0.6468(6) -0.0306(5) 0.030(3) Uani 1 1 d . . .
H21 H 0.4379 0.6600 -0.0042 0.036 Uiso 1 1 calc R . .
C22 C 0.7118(5) 0.8894(6) 0.1831(4) 0.021(2) Uani 1 1 d . . .
C23 C 0.7201(6) 0.8819(6) 0.2382(4) 0.029(3) Uani 1 1 d . . .
H23 H 0.6805 0.8658 0.2484 0.035 Uiso 1 1 calc R . .
C24 C 0.7861(7) 0.8978(7) 0.2792(5) 0.037(3) Uani 1 1 d . . .
H24 H 0.7914 0.8924 0.3172 0.044 Uiso 1 1 calc R . .
C25 C 0.8432(6) 0.9210(7) 0.2651(5) 0.032(3) Uani 1 1 d . . .
H25 H 0.8879 0.9328 0.2932 0.039 Uiso 1 1 calc R . .
C26 C 0.8357(6) 0.9271(6) 0.2097(5) 0.032(3) Uani 1 1 d . . .
H26 H 0.8756 0.9431 0.1998 0.039 Uiso 1 1 calc R . .
C27 C 0.7704(6) 0.9103(6) 0.1681(4) 0.026(2) Uani 1 1 d . . .
H27 H 0.7660 0.9130 0.1300 0.031 Uiso 1 1 calc R . .
C28 C 0.5562(5) 0.8865(6) 0.1569(4) 0.025(2) Uani 1 1 d . . .
C29 C 0.5600(6) 0.9490(7) 0.1900(4) 0.031(3) Uani 1 1 d . . .
H29 H 0.5992 0.9827 0.1969 0.037 Uiso 1 1 calc R . .
C30 C 0.5062(8) 0.9623(9) 0.2131(5) 0.055(4) Uani 1 1 d . . .
H30 H 0.5077 1.0058 0.2345 0.066 Uiso 1 1 calc R . .
C31 C 0.4515(8) 0.9117(11) 0.2042(6) 0.058(5) Uani 1 1 d . . .
H31 H 0.4151 0.9205 0.2199 0.070 Uiso 1 1 calc R . .
C32 C 0.4478(7) 0.8482(10) 0.1732(6) 0.058(5) Uani 1 1 d . . .
H32 H 0.4100 0.8131 0.1682 0.069 Uiso 1 1 calc R . .
C33 C 0.5008(6) 0.8364(8) 0.1491(5) 0.039(3) Uani 1 1 d . . .
H33 H 0.4985 0.7933 0.1271 0.047 Uiso 1 1 calc R . .
C34 C 0.2698(6) 0.8305(7) -0.0342(5) 0.031(3) Uani 1 1 d . . .
H34 H 0.2866 0.7826 -0.0141 0.037 Uiso 1 1 calc R . .
C35 C 0.2973(6) 0.9013(6) -0.0138(5) 0.027(2) Uani 1 1 d . . .
H35 H 0.3355 0.9125 0.0229 0.032 Uiso 1 1 calc R . .
C36 C 0.2498(6) 0.9534(6) -0.0505(4) 0.026(2) Uani 1 1 d . . .
H36 H 0.2505 1.0085 -0.0448 0.032 Uiso 1 1 calc R . .
C37 C 0.1982(6) 0.9146(6) -0.0929(5) 0.027(2) Uani 1 1 d . . .
H37 H 0.1547 0.9367 -0.1216 0.033 Uiso 1 1 calc R . .
C38 C 0.2108(6) 0.8378(6) -0.0812(5) 0.029(3) Uani 1 1 d . . .
H38 H 0.1774 0.7967 -0.1005 0.035 Uiso 1 1 calc R . .
C39 C 0.2596(7) 0.7882(7) -0.1807(5) 0.039(3) Uani 1 1 d . . .
H39 H 0.2323 0.7432 -0.1763 0.047 Uiso 1 1 calc R . .
C40 C 0.3337(7) 0.7893(7) -0.1760(4) 0.034(3) Uani 1 1 d . . .
H40 H 0.3679 0.7462 -0.1675 0.040 Uiso 1 1 calc R . .
C41 C 0.3456(7) 0.8609(7) -0.1938(4) 0.035(3) Uani 1 1 d . . .
H41 H 0.3910 0.8774 -0.1996 0.042 Uiso 1 1 calc R . .
C42 C 0.2795(7) 0.9024(7) -0.2099(4) 0.036(3) Uani 1 1 d . . .
H42 H 0.2703 0.9512 -0.2298 0.043 Uiso 1 1 calc R . .
C43 C 0.2286(7) 0.8574(7) -0.2015(5) 0.039(3) Uani 1 1 d . . .
H43 H 0.1756 0.8686 -0.2144 0.047 Uiso 1 1 calc R . .
C44 C 0.6187(6) 0.9498(5) 0.0788(4) 0.020(2) Uani 1 1 d . . .
H44A H 0.6501 0.9401 0.0567 0.024 Uiso 1 1 calc R . .
H44B H 0.5682 0.9528 0.0526 0.024 Uiso 1 1 calc R . .
Rh51 Rh 0.63066(4) 0.75443(5) 0.57717(3) 0.01894(19) Uani 1 1 d . . .
Zr51 Zr 0.68042(5) 1.12181(6) 0.61254(4) 0.0196(2) Uani 1 1 d . . .
P51 P 0.62727(14) 0.87098(15) 0.61261(11) 0.0209(6) Uani 1 1 d . . .
P52 P 0.54819(14) 0.77653(15) 0.48870(11) 0.0203(6) Uani 1 1 d . . .
O51 O 0.6623(4) 1.0144(4) 0.6054(3) 0.0237(16) Uani 1 1 d . . .
O52 O 0.4215(4) 0.8447(4) 0.4281(3) 0.0249(16) Uani 1 1 d . . .
C51 C 0.6820(5) 0.7011(6) 0.6584(4) 0.021(2) Uani 1 1 d . . .
H51 H 0.6814 0.7231 0.6940 0.025 Uiso 1 1 calc R . .
C52 C 0.7346(6) 0.7169(6) 0.6362(4) 0.026(2) Uani 1 1 d . . .
H52 H 0.7759 0.7513 0.6543 0.032 Uiso 1 1 calc R . .
C53 C 0.7408(6) 0.6485(6) 0.6018(4) 0.023(2) Uani 1 1 d . . .
H53 H 0.7857 0.6444 0.5922 0.027 Uiso 1 1 calc R . .
C55 C 0.6694(5) 0.6490(5) 0.5537(4) 0.021(2) Uani 1 1 d . . .
H55 H 0.6649 0.6365 0.5147 0.025 Uiso 1 1 calc R . .
C56 C 0.6166(6) 0.6336(5) 0.5756(4) 0.023(2) Uani 1 1 d . . .
H56 H 0.5701 0.6086 0.5539 0.028 Uiso 1 1 calc R . .
C57 C 0.6550(6) 0.6215(6) 0.6389(4) 0.028(3) Uani 1 1 d . . .
H57 H 0.6277 0.5946 0.6595 0.034 Uiso 1 1 calc R . .
C58 C 0.7269(6) 0.5859(6) 0.6382(4) 0.028(3) Uani 1 1 d . . .
H58A H 0.7647 0.5831 0.6756 0.033 Uiso 1 1 calc R . .
H58B H 0.7198 0.5366 0.6199 0.033 Uiso 1 1 calc R . .
C59 C 0.6590(6) 0.9470(6) 0.5779(4) 0.025(2) Uani 1 1 d . . .
H59A H 0.7075 0.9345 0.5771 0.030 Uiso 1 1 calc R . .
H59B H 0.6256 0.9519 0.5390 0.030 Uiso 1 1 calc R . .
C60 C 0.5393(5) 0.8965(6) 0.6123(4) 0.018(2) Uani 1 1 d . . .
C61 C 0.5114(6) 0.9691(6) 0.6000(5) 0.027(2) Uani 1 1 d . . .
H61 H 0.5401 1.0065 0.5916 0.033 Uiso 1 1 calc R . .
C62 C 0.4432(7) 0.9872(6) 0.5999(5) 0.036(3) Uani 1 1 d . . .
H62 H 0.4246 1.0360 0.5899 0.044 Uiso 1 1 calc R . .
C63 C 0.4019(6) 0.9342(7) 0.6144(5) 0.037(3) Uani 1 1 d . . .
H63 H 0.3564 0.9475 0.6168 0.045 Uiso 1 1 calc R . .
C64 C 0.4267(6) 0.8620(7) 0.6254(5) 0.034(3) Uani 1 1 d . . .
H64 H 0.3975 0.8249 0.6335 0.041 Uiso 1 1 calc R . .
C65 C 0.4953(6) 0.8442(6) 0.6243(4) 0.026(2) Uani 1 1 d . . .
H65 H 0.5123 0.7945 0.6321 0.031 Uiso 1 1 calc R . .
C66 C 0.6827(5) 0.8837(6) 0.6842(4) 0.023(2) Uani 1 1 d . . .
C67 C 0.7575(6) 0.8946(6) 0.6994(5) 0.029(3) Uani 1 1 d . . .
H67 H 0.7791 0.8941 0.6716 0.035 Uiso 1 1 calc R . .
C68 C 0.8015(7) 0.9063(6) 0.7555(5) 0.038(3) Uani 1 1 d . . .
H68 H 0.8517 0.9158 0.7647 0.045 Uiso 1 1 calc R . .
C69 C 0.7719(7) 0.9041(6) 0.7967(5) 0.039(3) Uani 1 1 d . . .
H69 H 0.8005 0.9123 0.8345 0.047 Uiso 1 1 calc R . .
C70 C 0.6999(6) 0.8896(6) 0.7811(5) 0.031(3) Uani 1 1 d . . .
H70 H 0.6800 0.8840 0.8097 0.037 Uiso 1 1 calc R . .
C71 C 0.6542(6) 0.8825(6) 0.7274(4) 0.025(2) Uani 1 1 d . . .
H71 H 0.6036 0.8767 0.7194 0.030 Uiso 1 1 calc R . .
C72 C 0.5921(6) 0.8105(5) 0.4414(4) 0.019(2) Uani 1 1 d . . .
C73 C 0.6629(6) 0.8360(6) 0.4618(4) 0.024(2) Uani 1 1 d . . .
H73 H 0.6890 0.8339 0.5006 0.028 Uiso 1 1 calc R . .
C74 C 0.6964(6) 0.8647(6) 0.4260(5) 0.029(3) Uani 1 1 d . . .
H74 H 0.7448 0.8824 0.4403 0.035 Uiso 1 1 calc R . .
C75 C 0.6574(7) 0.8669(6) 0.3691(5) 0.035(3) Uani 1 1 d . . .
H75 H 0.6796 0.8863 0.3445 0.041 Uiso 1 1 calc R . .
C76 C 0.5881(7) 0.8418(7) 0.3482(5) 0.035(3) Uani 1 1 d . . .
H76 H 0.5624 0.8443 0.3093 0.043 Uiso 1 1 calc R . .
C77 C 0.5550(6) 0.8128(6) 0.3831(4) 0.025(2) Uani 1 1 d . . .
H77 H 0.5070 0.7941 0.3680 0.031 Uiso 1 1 calc R . .
C78 C 0.5029(6) 0.6917(6) 0.4568(4) 0.024(2) Uani 1 1 d . . .
C79 C 0.5299(7) 0.6454(6) 0.4261(5) 0.032(3) Uani 1 1 d . . .
H79 H 0.5705 0.6610 0.4169 0.039 Uiso 1 1 calc R . .
C80 C 0.4994(6) 0.5764(7) 0.4083(5) 0.039(3) Uani 1 1 d . . .
H80 H 0.5191 0.5450 0.3873 0.047 Uiso 1 1 calc R . .
C81 C 0.4411(7) 0.5537(7) 0.4210(6) 0.042(3) Uani 1 1 d . . .
H81 H 0.4197 0.5068 0.4079 0.051 Uiso 1 1 calc R . .
C82 C 0.4121(6) 0.5981(7) 0.4531(5) 0.035(3) Uani 1 1 d . . .
H82 H 0.3722 0.5815 0.4627 0.042 Uiso 1 1 calc R . .
C83 C 0.4437(6) 0.6674(6) 0.4703(5) 0.031(3) Uani 1 1 d . . .
H83 H 0.4246 0.6987 0.4917 0.038 Uiso 1 1 calc R . .
C84 C 0.7793(7) 1.0868(8) 0.5752(6) 0.042(3) Uani 1 1 d . . .
H84 H 0.8067 1.0388 0.5827 0.050 Uiso 1 1 calc R . .
C85 C 0.7195(7) 1.1025(8) 0.5280(5) 0.043(3) Uani 1 1 d . . .
H85 H 0.6966 1.0667 0.4971 0.052 Uiso 1 1 calc R . .
C86 C 0.7019(7) 1.1762(8) 0.5273(6) 0.046(4) Uani 1 1 d . . .
H86 H 0.6656 1.2034 0.4959 0.056 Uiso 1 1 calc R . .
C87 C 0.7514(8) 1.2090(8) 0.5770(7) 0.053(4) Uani 1 1 d . . .
H87 H 0.7571 1.2635 0.5852 0.064 Uiso 1 1 calc R . .
C88 C 0.8013(7) 1.1525(8) 0.6059(5) 0.044(3) Uani 1 1 d . . .
H88 H 0.8475 1.1603 0.6378 0.053 Uiso 1 1 calc R . .
C89 C 0.7583(7) 1.1224(7) 0.7147(4) 0.036(3) Uani 1 1 d . . .
H89 H 0.8083 1.1014 0.7309 0.043 Uiso 1 1 calc R . .
C90 C 0.6946(6) 1.0862(7) 0.7119(4) 0.032(3) Uani 1 1 d . . .
H90 H 0.6917 1.0344 0.7251 0.038 Uiso 1 1 calc R . .
C91 C 0.6376(6) 1.1361(6) 0.6950(4) 0.026(2) Uani 1 1 d . . .
H91 H 0.5874 1.1270 0.6948 0.032 Uiso 1 1 calc R . .
C92 C 0.6671(7) 1.2059(6) 0.6883(4) 0.033(3) Uani 1 1 d . . .
H92 H 0.6408 1.2546 0.6821 0.040 Uiso 1 1 calc R . .
C93 C 0.7410(7) 1.1970(7) 0.7000(5) 0.035(3) Uani 1 1 d . . .
H93 H 0.7766 1.2381 0.7040 0.042 Uiso 1 1 calc R . .
C94 C 0.4730(5) 0.8423(6) 0.4811(4) 0.024(2) Uani 1 1 d . . .
H94A H 0.4489 0.8282 0.5077 0.029 Uiso 1 1 calc R . .
H94B H 0.4934 0.8928 0.4912 0.029 Uiso 1 1 calc R . .
B1 B 0.8957(8) 0.8473(9) 0.0980(6) 0.037(3) Uani 1 1 d . . .
F1 F 0.8839(5) 0.9234(4) 0.1043(4) 0.064(3) Uani 1 1 d . . .
F2 F 0.8837(4) 0.8090(4) 0.1410(3) 0.0486(19) Uani 1 1 d . . .
F3 F 0.9648(4) 0.8375(5) 0.0991(3) 0.052(2) Uani 1 1 d . . .
F4 F 0.8463(5) 0.8223(6) 0.0483(4) 0.077(3) Uani 1 1 d . . .
B2 B 0.3707(8) 0.6399(9) 0.0794(6) 0.039(3) Uani 1 1 d . . .
F5 F 0.4436(4) 0.6306(6) 0.0953(3) 0.074(3) Uani 1 1 d . A .
F6A F 0.3440(10) 0.6260(12) 0.1198(8) 0.087(6) Uiso 0.61(2) 1 d P A 1
F7A F 0.3577(11) 0.7131(13) 0.0631(9) 0.104(8) Uiso 0.61(2) 1 d P A 1
F8A F 0.3405(10) 0.5932(12) 0.0326(8) 0.094(7) Uiso 0.61(2) 1 d P A 1
F6B F 0.3452(14) 0.5870(17) 0.1011(11) 0.072(9) Uiso 0.39(2) 1 d P A 2
F7B F 0.363(2) 0.704(2) 0.1123(18) 0.139(16) Uiso 0.39(2) 1 d P A 2
F8B F 0.3374(13) 0.6578(16) 0.0272(10) 0.071(9) Uiso 0.39(2) 1 d P A 2
C98A C -0.0175(13) 0.774(3) 0.255(4) 0.14(4) Uiso 0.40(3) 1 d PD . .
C98B C -0.0118(7) 0.7675(10) 0.2608(10) 0.030(6) Uiso 0.60(3) 1 d PD . .
Cl1A Cl 0.0405(8) 0.8458(12) 0.2511(5) 0.069(5) Uiso 0.40(3) 1 d PD . .
Cl1B Cl 0.0562(5) 0.8173(7) 0.2463(3) 0.062(3) Uiso 0.60(3) 1 d PD . .
Cl2A Cl 0.0337(18) 0.7025(13) 0.2965(13) 0.171(14) Uiso 0.40(3) 1 d PD . .
Cl2B Cl 0.0274(4) 0.6894(4) 0.3008(3) 0.039(3) Uiso 0.60(3) 1 d PD . .
C99A C 0.493(2) 0.6412(12) 0.2146(8) 0.077(13) Uiso 0.43(3) 1 d PD . .
C99B C 0.4808(17) 0.6147(8) 0.2216(6) 0.071(9) Uiso 0.57(3) 1 d PD . .
Cl3A Cl 0.5336(10) 0.6941(11) 0.2744(7) 0.104(6) Uiso 0.43(3) 1 d PD . .
Cl3B Cl 0.5199(6) 0.6665(7) 0.2819(4) 0.079(3) Uiso 0.57(3) 1 d PD . .
Cl4A Cl 0.5068(11) 0.5467(10) 0.2311(6) 0.107(6) Uiso 0.43(3) 1 d PD . .
Cl4B Cl 0.4793(6) 0.5202(6) 0.2386(4) 0.082(4) Uiso 0.57(3) 1 d PD . .
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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
C6 Rh1 C2 77.6(4) . .
C6 Rh1 C5 36.2(4) . .
C2 Rh1 C5 65.7(4) . .
C6 Rh1 C1 66.1(4) . .
C2 Rh1 C1 36.8(4) . .
C5 Rh1 C1 77.9(4) . .
C6 Rh1 P1 148.1(3) . .
C2 Rh1 P1 100.2(3) . .
C5 Rh1 P1 165.5(3) . .
C1 Rh1 P1 92.9(3) . .
C6 Rh1 P2 97.4(3) . .
C2 Rh1 P2 153.6(3) . .
C5 Rh1 P2 94.8(3) . .
C1 Rh1 P2 160.5(3) . .
P1 Rh1 P2 97.38(10) . .
O2 Zr1 O1 96.7(3) 3_675 .
O2 Zr1 C34 128.1(3) 3_675 .
O1 Zr1 C34 81.7(3) . .
O2 Zr1 C38 135.4(3) 3_675 .
O1 Zr1 C38 109.3(3) . .
C34 Zr1 C38 31.5(4) . .
O2 Zr1 C43 109.7(4) 3_675 .
O1 Zr1 C43 130.1(4) . .
C34 Zr1 C43 110.2(4) . .
C38 Zr1 C43 80.6(4) . .
O2 Zr1 C37 104.4(3) 3_675 .
O1 Zr1 C37 134.2(3) . .
C34 Zr1 C37 53.3(4) . .
C38 Zr1 C37 32.8(3) . .
C43 Zr1 C37 79.6(4) . .
O2 Zr1 C35 95.5(3) 3_675 .
O1 Zr1 C35 84.3(3) . .
C34 Zr1 C35 32.6(4) . .
C38 Zr1 C35 53.7(4) . .
C43 Zr1 C35 131.7(4) . .
C37 Zr1 C35 54.0(3) . .
O2 Zr1 C39 133.7(4) 3_675 .
O1 Zr1 C39 100.1(4) . .
C34 Zr1 C39 96.9(4) . .
C38 Zr1 C39 77.4(4) . .
C43 Zr1 C39 32.5(4) . .
C37 Zr1 C39 93.9(4) . .
C35 Zr1 C39 128.7(4) . .
O2 Zr1 C42 81.7(4) 3_675 .
O1 Zr1 C42 123.2(4) . .
C34 Zr1 C42 141.3(4) . .
C38 Zr1 C42 110.5(4) . .
C43 Zr1 C42 31.3(4) . .
C37 Zr1 C42 99.9(4) . .
C35 Zr1 C42 152.5(4) . .
C39 Zr1 C42 53.1(4) . .
O2 Zr1 C41 84.6(3) 3_675 .
O1 Zr1 C41 90.5(4) . .
C34 Zr1 C41 146.9(4) . .
C38 Zr1 C41 129.2(4) . .
C43 Zr1 C41 52.7(4) . .
C37 Zr1 C41 131.0(4) . .
C35 Zr1 C41 174.8(4) . .
C39 Zr1 C41 52.7(4) . .
C42 Zr1 C41 32.7(4) . .
O2 Zr1 C36 83.3(3) 3_675 .
O1 Zr1 C36 115.6(3) . .
C34 Zr1 C36 53.0(4) . .
C38 Zr1 C36 53.0(4) . .
C43 Zr1 C36 109.1(4) . .
C37 Zr1 C36 31.8(3) . .
C35 Zr1 C36 32.5(3) . .
C39 Zr1 C36 125.4(4) . .
C42 Zr1 C36 120.5(4) . .
C41 Zr1 C36 152.3(4) . .
O2 Zr1 C40 114.6(3) 3_675 .
O1 Zr1 C40 77.2(3) . .
C34 Zr1 C40 115.4(4) . .
C38 Zr1 C40 106.3(4) . .
C43 Zr1 C40 53.6(4) . .
C37 Zr1 C40 126.2(4) . .
C35 Zr1 C40 146.0(4) . .
C39 Zr1 C40 32.3(4) . .
C42 Zr1 C40 53.9(4) . .
C41 Zr1 C40 31.9(4) . .
C36 Zr1 C40 157.6(4) . .
C16 P1 C9 101.9(5) . .
C16 P1 C10 106.8(5) . .
C9 P1 C10 106.2(5) . .
C16 P1 Rh1 112.5(4) . .
C9 P1 Rh1 120.9(3) . .
C10 P1 Rh1 107.6(3) . .
C28 P2 C22 104.7(5) . .
C28 P2 C44 104.4(5) . .
C22 P2 C44 101.7(5) . .
C28 P2 Rh1 113.9(4) . .
C22 P2 Rh1 114.2(3) . .
C44 P2 Rh1 116.4(3) . .
C9 O1 Zr1 139.0(6) . .
C44 O2 Zr1 146.7(6) . 3_675
C2 C1 C7 105.4(9) . .
C2 C1 Rh1 71.5(6) . .
C7 C1 Rh1 95.5(7) . .
C2 C1 H1 123.6 . .
C7 C1 H1 123.6 . .
Rh1 C1 H1 123.6 . .
C1 C2 C3 106.4(10) . .
C1 C2 Rh1 71.6(6) . .
C3 C2 Rh1 96.0(7) . .
C1 C2 H2 123.2 . .
C3 C2 H2 123.2 . .
Rh1 C2 H2 123.2 . .
C2 C3 C8 101.1(9) . .
C2 C3 C5 102.8(8) . .
C8 C3 C5 100.6(9) . .
C2 C3 H3 116.6 . .
C8 C3 H3 116.6 . .
C5 C3 H3 116.6 . .
C6 C5 C3 106.3(10) . .
C6 C5 Rh1 71.3(6) . .
C3 C5 Rh1 95.4(6) . .
C6 C5 H5 123.4 . .
C3 C5 H5 123.4 . .
Rh1 C5 H5 123.4 . .
C5 C6 C7 106.6(10) . .
C5 C6 Rh1 72.6(6) . .
C7 C6 Rh1 96.5(7) . .
C5 C6 H6 122.8 . .
C7 C6 H6 122.8 . .
Rh1 C6 H6 122.8 . .
C6 C7 C8 100.6(9) . .
C6 C7 C1 101.8(9) . .
C8 C7 C1 100.1(9) . .
C6 C7 H7 117.1 . .
C8 C7 H7 117.1 . .
C1 C7 H7 117.1 . .
C3 C8 C7 93.0(8) . .
C3 C8 H8A 113.1 . .
C7 C8 H8A 113.1 . .
C3 C8 H8B 113.1 . .
C7 C8 H8B 113.1 . .
H8A C8 H8B 110.5 . .
O1 C9 P1 112.2(7) . .
O1 C9 H9A 109.2 . .
P1 C9 H9A 109.2 . .
O1 C9 H9B 109.2 . .
P1 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
C15 C10 C11 119.4(9) . .
C15 C10 P1 118.0(8) . .
C11 C10 P1 122.0(8) . .
C12 C11 C10 119.6(10) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C13 120.8(11) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C14 C13 C12 120.0(11) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 119.9(11) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C10 C15 C14 120.3(11) . .
C10 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C17 C16 C21 116.7(10) . .
C17 C16 P1 123.3(8) . .
C21 C16 P1 119.7(8) . .
C16 C17 C18 121.5(11) . .
C16 C17 H17 119.2 . .
C18 C17 H17 119.2 . .
C19 C18 C17 118.2(11) . .
C19 C18 H18 120.9 . .
C17 C18 H18 120.9 . .
C20 C19 C18 122.3(12) . .
C20 C19 H19 118.8 . .
C18 C19 H19 118.8 . .
C19 C20 C21 118.9(11) . .
C19 C20 H20 120.6 . .
C21 C20 H20 120.6 . .
C20 C21 C16 122.2(11) . .
C20 C21 H21 118.9 . .
C16 C21 H21 118.9 . .
C23 C22 C27 119.9(10) . .
C23 C22 P2 122.6(8) . .
C27 C22 P2 117.4(8) . .
C22 C23 C24 120.4(11) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C25 C24 C23 120.4(11) . .
C25 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
C24 C25 C26 119.5(11) . .
C24 C25 H25 120.2 . .
C26 C25 H25 120.2 . .
C25 C26 C27 120.9(11) . .
C25 C26 H26 119.5 . .
C27 C26 H26 119.5 . .
C22 C27 C26 118.8(10) . .
C22 C27 H27 120.6 . .
C26 C27 H27 120.6 . .
C33 C28 C29 119.2(11) . .
C33 C28 P2 120.2(10) . .
C29 C28 P2 120.5(8) . .
C28 C29 C30 120.4(13) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C31 C30 C29 118.9(15) . .
C31 C30 H30 120.5 . .
C29 C30 H30 120.5 . .
C30 C31 C32 121.9(14) . .
C30 C31 H31 119.1 . .
C32 C31 H31 119.1 . .
C31 C32 C33 118.7(15) . .
C31 C32 H32 120.7 . .
C33 C32 H32 120.7 . .
C28 C33 C32 120.8(14) . .
C28 C33 H33 119.6 . .
C32 C33 H33 119.6 . .
C38 C34 C35 110.0(11) . .
C38 C34 Zr1 74.3(7) . .
C35 C34 Zr1 74.7(6) . .
C38 C34 H34 124.7 . .
C35 C34 H34 124.7 . .
Zr1 C34 H34 124.7 . .
C34 C35 C36 105.4(10) . .
C34 C35 Zr1 72.7(6) . .
C36 C35 Zr1 74.9(6) . .
C34 C35 H35 126.7 . .
C36 C35 H35 126.7 . .
Zr1 C35 H35 126.7 . .
C37 C36 C35 108.8(10) . .
C37 C36 Zr1 72.3(6) . .
C35 C36 Zr1 72.6(6) . .
C37 C36 H36 125.5 . .
C35 C36 H36 125.5 . .
Zr1 C36 H36 125.5 . .
C36 C37 C38 107.3(10) . .
C36 C37 Zr1 75.9(6) . .
C38 C37 Zr1 73.2(6) . .
C36 C37 H37 125.8 . .
C38 C37 H37 125.8 . .
Zr1 C37 H37 125.8 . .
C34 C38 C37 108.3(11) . .
C34 C38 Zr1 74.2(7) . .
C37 C38 Zr1 74.0(6) . .
C34 C38 H38 125.5 . .
C37 C38 H38 125.5 . .
Zr1 C38 H38 125.5 . .
C43 C39 C40 108.6(11) . .
C43 C39 Zr1 72.9(7) . .
C40 C39 Zr1 76.1(7) . .
C43 C39 H39 125.3 . .
C40 C39 H39 125.3 . .
Zr1 C39 H39 125.3 . .
C41 C40 C39 105.3(11) . .
C41 C40 Zr1 72.7(7) . .
C39 C40 Zr1 71.6(7) . .
C41 C40 H40 127.0 . .
C39 C40 H40 127.0 . .
Zr1 C40 H40 127.0 . .
C40 C41 C42 109.4(11) . .
C40 C41 Zr1 75.4(7) . .
C42 C41 Zr1 72.9(6) . .
C40 C41 H41 125.0 . .
C42 C41 H41 125.0 . .
Zr1 C41 H41 125.0 . .
C43 C42 C41 107.0(11) . .
C43 C42 Zr1 73.3(7) . .
C41 C42 Zr1 74.4(6) . .
C43 C42 H42 126.1 . .
C41 C42 H42 126.1 . .
Zr1 C42 H42 126.1 . .
C42 C43 C39 109.7(12) . .
C42 C43 Zr1 75.4(7) . .
C39 C43 Zr1 74.7(7) . .
C42 C43 H43 124.7 . .
C39 C43 H43 124.7 . .
Zr1 C43 H43 124.7 . .
O2 C44 P2 114.9(7) . .
O2 C44 H44A 108.5 . .
P2 C44 H44A 108.5 . .
O2 C44 H44B 108.5 . .
P2 C44 H44B 108.5 . .
H44A C44 H44B 107.5 . .
C56 Rh51 C52 77.8(4) . .
C56 Rh51 C51 66.3(4) . .
C52 Rh51 C51 36.5(4) . .
C56 Rh51 C55 36.4(4) . .
C52 Rh51 C55 66.0(4) . .
C51 Rh51 C55 78.1(4) . .
C56 Rh51 P51 153.3(3) . .
C52 Rh51 P51 99.0(3) . .
C51 Rh51 P51 95.2(3) . .
C55 Rh51 P51 162.6(3) . .
C56 Rh51 P52 96.4(3) . .
C52 Rh51 P52 154.0(3) . .
C51 Rh51 P52 159.8(3) . .
C55 Rh51 P52 94.2(3) . .
P51 Rh51 P52 97.12(10) . .
O51 Zr51 O52 97.5(3) . 3_676
O51 Zr51 C87 134.2(4) . .
O52 Zr51 C87 102.1(4) 3_676 .
O51 Zr51 C88 110.9(4) . .
O52 Zr51 C88 134.6(4) 3_676 .
C87 Zr51 C88 33.3(5) . .
O51 Zr51 C84 81.9(4) . .
O52 Zr51 C84 129.9(4) 3_676 .
C87 Zr51 C84 53.9(5) . .
C88 Zr51 C84 32.3(4) . .
O51 Zr51 C93 128.5(3) . .
O52 Zr51 C93 112.3(4) 3_676 .
C87 Zr51 C93 80.5(5) . .
C88 Zr51 C93 77.0(4) . .
C84 Zr51 C93 106.2(4) . .
O51 Zr51 C89 97.2(4) . .
O52 Zr51 C89 132.3(4) 3_676 .
C87 Zr51 C89 99.2(5) . .
C88 Zr51 C89 79.6(4) . .
C84 Zr51 C89 96.9(4) . .
C93 Zr51 C89 32.1(4) . .
O51 Zr51 C90 78.4(4) . .
O52 Zr51 C90 109.8(3) 3_676 .
C87 Zr51 C90 130.3(5) . .
C88 Zr51 C90 110.2(4) . .
C84 Zr51 C90 118.9(4) . .
C93 Zr51 C90 52.7(4) . .
C89 Zr51 C90 31.8(4) . .
O51 Zr51 C92 126.4(3) . .
O52 Zr51 C92 82.5(3) 3_676 .
C87 Zr51 C92 97.2(5) . .
C88 Zr51 C92 105.8(4) . .
C84 Zr51 C92 137.1(4) . .
C93 Zr51 C92 31.7(4) . .
C89 Zr51 C92 52.8(4) . .
C90 Zr51 C92 52.5(4) . .
O51 Zr51 C91 94.3(3) . .
O52 Zr51 C91 80.8(3) 3_676 .
C87 Zr51 C91 129.3(5) . .
C88 Zr51 C91 129.0(4) . .
C84 Zr51 C91 149.2(4) . .
C93 Zr51 C91 53.2(4) . .
C89 Zr51 C91 53.0(4) . .
C90 Zr51 C91 31.6(3) . .
C92 Zr51 C91 32.4(4) . .
O51 Zr51 C86 112.1(4) . .
O52 Zr51 C86 82.7(4) 3_676 .
C87 Zr51 C86 33.1(5) . .
C88 Zr51 C86 54.3(4) . .
C84 Zr51 C86 52.8(4) . .
C93 Zr51 C86 112.7(5) . .
C89 Zr51 C86 131.3(4) . .
C90 Zr51 C86 163.1(4) . .
C92 Zr51 C86 121.0(5) . .
C91 Zr51 C86 150.5(4) . .
O51 Zr51 C85 83.5(4) . .
O52 Zr51 C85 98.1(4) 3_676 .
C87 Zr51 C85 53.2(5) . .
C88 Zr51 C85 53.3(4) . .
C84 Zr51 C85 31.8(4) . .
C93 Zr51 C85 129.3(4) . .
C89 Zr51 C85 128.5(4) . .
C90 Zr51 C85 148.3(4) . .
C92 Zr51 C85 150.0(4) . .
C91 Zr51 C85 177.4(4) . .
C86 Zr51 C85 31.0(4) . .
C60 P51 C66 102.6(5) . .
C60 P51 C59 107.2(5) . .
C66 P51 C59 102.1(5) . .
C60 P51 Rh51 113.1(3) . .
C66 P51 Rh51 115.5(3) . .
C59 P51 Rh51 115.0(3) . .
C78 P52 C72 104.7(5) . .
C78 P52 C94 103.8(5) . .
C72 P52 C94 105.2(5) . .
C78 P52 Rh51 111.5(3) . .
C72 P52 Rh51 112.0(3) . .
C94 P52 Rh51 118.4(3) . .
C59 O51 Zr51 151.6(6) . .
C94 O52 Zr51 141.1(6) . 3_676
C52 C51 C57 106.3(9) . .
C52 C51 Rh51 71.6(6) . .
C57 C51 Rh51 95.9(6) . .
C52 C51 H51 123.2 . .
C57 C51 H51 123.2 . .
Rh51 C51 H51 123.2 . .
C51 C52 C53 107.0(9) . .
C51 C52 Rh51 71.9(6) . .
C53 C52 Rh51 95.2(6) . .
C51 C52 H52 123.1 . .
C53 C52 H52 123.1 . .
Rh51 C52 H52 123.1 . .
C55 C53 C52 103.0(8) . .
C55 C53 C58 100.8(9) . .
C52 C53 C58 99.8(8) . .
C55 C53 H53 116.8 . .
C52 C53 H53 116.8 . .
C58 C53 H53 116.8 . .
C56 C55 C53 106.8(9) . .
C56 C55 Rh51 71.2(6) . .
C53 C55 Rh51 95.5(6) . .
C56 C55 H55 123.2 . .
C53 C55 H55 123.2 . .
Rh51 C55 H55 123.2 . .
C55 C56 C57 106.9(9) . .
C55 C56 Rh51 72.4(6) . .
C57 C56 Rh51 96.2(6) . .
C55 C56 H56 122.8 . .
C57 C56 H56 122.8 . .
Rh51 C56 H56 122.8 . .
C56 C57 C51 101.4(8) . .
C56 C57 C58 99.4(8) . .
C51 C57 C58 99.8(9) . .
C56 C57 H57 117.6 . .
C51 C57 H57 117.6 . .
C58 C57 H57 117.6 . .
C53 C58 C57 93.3(8) . .
C53 C58 H58A 113.0 . .
C57 C58 H58A 113.0 . .
C53 C58 H58B 113.0 . .
C57 C58 H58B 113.0 . .
H58A C58 H58B 110.4 . .
O51 C59 P51 111.3(7) . .
O51 C59 H59A 109.4 . .
P51 C59 H59A 109.4 . .
O51 C59 H59B 109.4 . .
P51 C59 H59B 109.4 . .
H59A C59 H59B 108.0 . .
C65 C60 C61 116.9(9) . .
C65 C60 P51 120.3(8) . .
C61 C60 P51 122.7(8) . .
C62 C61 C60 121.5(10) . .
C62 C61 H61 119.2 . .
C60 C61 H61 119.2 . .
C61 C62 C63 119.9(11) . .
C61 C62 H62 120.1 . .
C63 C62 H62 120.1 . .
C64 C63 C62 120.2(11) . .
C64 C63 H63 119.9 . .
C62 C63 H63 119.9 . .
C63 C64 C65 119.2(11) . .
C63 C64 H64 120.4 . .
C65 C64 H64 120.4 . .
C60 C65 C64 122.2(10) . .
C60 C65 H65 118.9 . .
C64 C65 H65 118.9 . .
C67 C66 C71 116.8(10) . .
C67 C66 P51 120.9(8) . .
C71 C66 P51 122.3(8) . .
C66 C67 C68 121.4(11) . .
C66 C67 H67 119.3 . .
C68 C67 H67 119.3 . .
C69 C68 C67 120.2(12) . .
C69 C68 H68 119.9 . .
C67 C68 H68 119.9 . .
C70 C69 C68 117.2(11) . .
C70 C69 H69 121.4 . .
C68 C69 H69 121.4 . .
C69 C70 C71 125.0(11) . .
C69 C70 H70 117.5 . .
C71 C70 H70 117.5 . .
C70 C71 C66 119.1(10) . .
C70 C71 H71 120.4 . .
C66 C71 H71 120.4 . .
C73 C72 C77 118.2(9) . .
C73 C72 P52 120.4(8) . .
C77 C72 P52 121.4(8) . .
C72 C73 C74 121.0(10) . .
C72 C73 H73 119.5 . .
C74 C73 H73 119.5 . .
C75 C74 C73 118.7(11) . .
C75 C74 H74 120.6 . .
C73 C74 H74 120.6 . .
C76 C75 C74 121.3(11) . .
C76 C75 H75 119.4 . .
C74 C75 H75 119.4 . .
C75 C76 C77 120.3(11) . .
C75 C76 H76 119.8 . .
C77 C76 H76 119.8 . .
C76 C77 C72 120.5(10) . .
C76 C77 H77 119.8 . .
C72 C77 H77 119.8 . .
C79 C78 C83 118.4(11) . .
C79 C78 P52 122.7(9) . .
C83 C78 P52 118.3(8) . .
C78 C79 C80 121.4(12) . .
C78 C79 H79 119.3 . .
C80 C79 H79 119.3 . .
C81 C80 C79 119.8(12) . .
C81 C80 H80 120.1 . .
C79 C80 H80 120.1 . .
C80 C81 C82 121.3(12) . .
C80 C81 H81 119.4 . .
C82 C81 H81 119.4 . .
C83 C82 C81 117.8(11) . .
C83 C82 H82 121.1 . .
C81 C82 H82 121.1 . .
C82 C83 C78 121.3(11) . .
C82 C83 H83 119.3 . .
C78 C83 H83 119.3 . .
C85 C84 C88 108.7(12) . .
C85 C84 Zr51 75.4(7) . .
C88 C84 Zr51 73.0(7) . .
C85 C84 H84 125.3 . .
C88 C84 H84 125.3 . .
Zr51 C84 H84 125.3 . .
C86 C85 C84 110.0(13) . .
C86 C85 Zr51 74.3(8) . .
C84 C85 Zr51 72.8(7) . .
C86 C85 H85 124.8 . .
C84 C85 H85 124.8 . .
Zr51 C85 H85 124.8 . .
C85 C86 C87 107.1(12) . .
C85 C86 Zr51 74.7(7) . .
C87 C86 Zr51 70.3(7) . .
C85 C86 H86 126.2 . .
C87 C86 H86 126.2 . .
Zr51 C86 H86 126.2 . .
C88 C87 C86 107.7(13) . .
C88 C87 Zr51 74.6(7) . .
C86 C87 Zr51 76.6(7) . .
C88 C87 H87 125.5 . .
C86 C87 H87 125.5 . .
Zr51 C87 H87 125.5 . .
C84 C88 C87 106.4(12) . .
C84 C88 Zr51 74.7(7) . .
C87 C88 Zr51 72.0(7) . .
C84 C88 H88 126.4 . .
C87 C88 H88 126.4 . .
Zr51 C88 H88 126.4 . .
C90 C89 C93 107.5(11) . .
C90 C89 Zr51 74.4(6) . .
C93 C89 Zr51 73.9(6) . .
C90 C89 H89 125.8 . .
C93 C89 H89 125.8 . .
Zr51 C89 H89 125.8 . .
C91 C90 C89 109.5(11) . .
C91 C90 Zr51 74.3(6) . .
C89 C90 Zr51 73.7(6) . .
C91 C90 H90 125.0 . .
C89 C90 H90 125.0 . .
Zr51 C90 H90 125.0 . .
C90 C91 C92 106.7(11) . .
C90 C91 Zr51 74.1(6) . .
C92 C91 Zr51 73.8(6) . .
C90 C91 H91 126.2 . .
C92 C91 H91 126.2 . .
Zr51 C91 H91 126.2 . .
C93 C92 C91 108.3(10) . .
C93 C92 Zr51 73.7(7) . .
C91 C92 Zr51 73.9(6) . .
C93 C92 H92 125.5 . .
C91 C92 H92 125.5 . .
Zr51 C92 H92 125.5 . .
C92 C93 C89 108.0(11) . .
C92 C93 Zr51 74.5(6) . .
C89 C93 Zr51 74.0(7) . .
C92 C93 H93 125.6 . .
C89 C93 H93 125.6 . .
Zr51 C93 H93 125.6 . .
O52 C94 P52 114.2(7) . .
O52 C94 H94A 108.7 . .
P52 C94 H94A 108.7 . .
O52 C94 H94B 108.7 . .
P52 C94 H94B 108.7 . .
H94A C94 H94B 107.6 . .
F3 B1 F4 110.8(11) . .
F3 B1 F2 111.2(12) . .
F4 B1 F2 108.2(11) . .
F3 B1 F1 109.1(11) . .
F4 B1 F1 109.3(12) . .
F2 B1 F1 108.1(11) . .
F6B B2 F8B 119(2) . .
F8B B2 F6A 130.1(18) . .
F6B B2 F5 108.2(16) . .
F8B B2 F5 116.0(15) . .
F6A B2 F5 113.9(13) . .
F6B B2 F7A 141(2) . .
F8B B2 F7A 58.7(14) . .
F6A B2 F7A 109.3(17) . .
F5 B2 F7A 105.9(14) . .
F6B B2 F8A 79.4(17) . .
F8B B2 F8A 50.6(13) . .
F6A B2 F8A 112.5(16) . .
F5 B2 F8A 105.7(14) . .
F7A B2 F8A 109.2(15) . .
F6B B2 F7B 101(2) . .
F8B B2 F7B 106(2) . .
F6A B2 F7B 63.5(18) . .
F5 B2 F7B 103.4(19) . .
F7A B2 F7B 51.7(17) . .
F8A B2 F7B 149(2) . .
Cl1B C98A Cl2A 94.4(14) . .
Cl2A C98A Cl1A 109.0(9) . .
Cl1B C98A Cl2B 101.8(15) . .
Cl1A C98A Cl2B 116.3(13) . .
Cl2A C98B Cl1B 100.4(14) . .
Cl2B C98B Cl1B 108.5(7) . .
Cl2A C98B Cl1A 115.0(14) . .
Cl2B C98B Cl1A 123.1(9) . .
Cl1B Cl1A C98A 78(3) . .
Cl1B Cl1A C98B 74.7(17) . .
Cl1A Cl1B C98A 82(3) . .
Cl1A Cl1B C98B 85.0(17) . .
C99B C99A Cl3B 85(3) . .
C99B C99A Cl3A 106(3) . .
Cl3B C99A Cl4A 92.6(10) . .
Cl3A C99A Cl4A 109.4(8) . .
C99A C99B Cl4A 129(7) . .
C99A C99B Cl3B 75(2) . .
Cl4A C99B Cl3B 108.0(13) . .
C99A C99B Cl4B 154(7) . .
Cl3B C99B Cl4B 109.7(8) . .
C99A C99B Cl3A 57(2) . .
Cl4A C99B Cl3A 117.5(16) . .
Cl4B C99B Cl3A 125.0(10) . .
Cl3B Cl3A C99A 74(2) . .
Cl3B Cl3A C99B 57.3(17) . .
Cl3A Cl3B C99A 85(2) . .
Cl3A Cl3B C99B 105(2) . .
Cl4B Cl4A C99B 110(2) . .
Cl4B Cl4A C99A 126(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C6 2.192(11) .
Rh1 C2 2.208(10) .
Rh1 C5 2.208(10) .
Rh1 C1 2.209(11) .
Rh1 P1 2.312(3) .
Rh1 P2 2.314(3) .
Zr1 O2 1.984(7) 3_675
Zr1 O1 1.997(7) .
Zr1 C34 2.502(11) .
Zr1 C38 2.503(11) .
Zr1 C43 2.506(11) .
Zr1 C37 2.513(11) .
Zr1 C35 2.528(10) .
Zr1 C39 2.528(11) .
Zr1 C42 2.532(10) .
Zr1 C41 2.552(11) .
Zr1 C36 2.558(10) .
Zr1 C40 2.586(11) .
P1 C16 1.811(11) .
P1 C9 1.830(10) .
P1 C10 1.841(10) .
P2 C28 1.821(11) .
P2 C22 1.845(10) .
P2 C44 1.871(10) .
O1 C9 1.391(11) .
O2 C44 1.388(12) .
O2 Zr1 1.983(7) 3_675
C1 C2 1.396(15) .
C1 C7 1.551(15) .
C1 H1 1.0000 .
C2 C3 1.523(15) .
C2 H2 1.0000 .
C3 C8 1.534(15) .
C3 C5 1.541(15) .
C3 H3 1.0000 .
C5 C6 1.365(16) .
C5 H5 1.0000 .
C6 C7 1.540(16) .
C6 H6 1.0000 .
C7 C8 1.550(15) .
C7 H7 1.0000 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C15 1.388(14) .
C10 C11 1.396(14) .
C11 C12 1.383(16) .
C11 H11 0.9500 .
C12 C13 1.391(17) .
C12 H12 0.9500 .
C13 C14 1.365(17) .
C13 H13 0.9500 .
C14 C15 1.403(15) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.388(15) .
C16 C21 1.407(14) .
C17 C18 1.401(15) .
C17 H17 0.9500 .
C18 C19 1.372(16) .
C18 H18 0.9500 .
C19 C20 1.358(18) .
C19 H19 0.9500 .
C20 C21 1.370(15) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.370(14) .
C22 C27 1.389(14) .
C23 C24 1.389(16) .
C23 H23 0.9500 .
C24 C25 1.361(17) .
C24 H24 0.9500 .
C25 C26 1.380(16) .
C25 H25 0.9500 .
C26 C27 1.391(15) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C33 1.375(16) .
C28 C29 1.393(16) .
C29 C30 1.402(17) .
C29 H29 0.9500 .
C30 C31 1.37(2) .
C30 H30 0.9500 .
C31 C32 1.38(2) .
C31 H31 0.9500 .
C32 C33 1.401(18) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C38 1.360(15) .
C34 C35 1.412(16) .
C34 H34 1.0000 .
C35 C36 1.425(15) .
C35 H35 1.0000 .
C36 C37 1.391(15) .
C36 H36 1.0000 .
C37 C38 1.415(15) .
C37 H37 1.0000 .
C38 H38 1.0000 .
C39 C43 1.407(18) .
C39 C40 1.424(18) .
C39 H39 1.0000 .
C40 C41 1.412(17) .
C40 H40 1.0000 .
C41 C42 1.432(17) .
C41 H41 1.0000 .
C42 C43 1.361(17) .
C42 H42 1.0000 .
C43 H43 1.0000 .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
Rh51 C56 2.188(10) .
Rh51 C52 2.190(10) .
Rh51 C51 2.194(10) .
Rh51 C55 2.202(10) .
Rh51 P51 2.294(3) .
Rh51 P52 2.322(3) .
Zr51 O51 1.960(7) .
Zr51 O52 2.008(7) 3_676
Zr51 C87 2.474(13) .
Zr51 C88 2.508(12) .
Zr51 C84 2.529(12) .
Zr51 C93 2.535(11) .
Zr51 C89 2.535(11) .
Zr51 C90 2.544(10) .
Zr51 C92 2.545(10) .
Zr51 C91 2.546(10) .
Zr51 C86 2.557(12) .
Zr51 C85 2.562(12) .
P51 C60 1.790(10) .
P51 C66 1.795(11) .
P51 C59 1.853(11) .
P52 C78 1.813(12) .
P52 C72 1.821(10) .
P52 C94 1.853(11) .
O51 C59 1.392(12) .
O52 C94 1.388(12) .
O52 Zr51 2.008(7) 3_676
C51 C52 1.372(15) .
C51 C57 1.549(15) .
C51 H51 1.0000 .
C52 C53 1.541(14) .
C52 H52 1.0000 .
C53 C55 1.516(14) .
C53 C58 1.546(15) .
C53 H53 1.0000 .
C55 C56 1.370(15) .
C55 H55 1.0000 .
C56 C57 1.548(14) .
C56 H56 1.0000 .
C57 C58 1.561(15) .
C57 H57 1.0000 .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 C65 1.384(14) .
C60 C61 1.409(14) .
C61 C62 1.382(16) .
C61 H61 0.9500 .
C62 C63 1.385(17) .
C62 H62 0.9500 .
C63 C64 1.380(17) .
C63 H63 0.9500 .
C64 C65 1.399(15) .
C64 H64 0.9500 .
C65 H65 0.9500 .
C66 C67 1.400(14) .
C66 C71 1.407(15) .
C67 C68 1.414(15) .
C67 H67 0.9500 .
C68 C69 1.370(18) .
C68 H68 0.9500 .
C69 C70 1.358(16) .
C69 H69 0.9500 .
C70 C71 1.364(14) .
C70 H70 0.9500 .
C71 H71 0.9500 .
C72 C73 1.388(14) .
C72 C77 1.418(14) .
C73 C74 1.401(15) .
C73 H73 0.9500 .
C74 C75 1.394(16) .
C74 H74 0.9500 .
C75 C76 1.360(17) .
C75 H75 0.9500 .
C76 C77 1.379(16) .
C76 H76 0.9500 .
C77 H77 0.9500 .
C78 C79 1.373(15) .
C78 C83 1.397(15) .
C79 C80 1.385(16) .
C79 H79 0.9500 .
C80 C81 1.360(18) .
C80 H80 0.9500 .
C81 C82 1.402(18) .
C81 H81 0.9500 .
C82 C83 1.395(16) .
C82 H82 0.9500 .
C83 H83 0.9500 .
C84 C85 1.395(18) .
C84 C88 1.402(19) .
C84 H84 1.0000 .
C85 C86 1.368(19) .
C85 H85 1.0000 .
C86 C87 1.44(2) .
C86 H86 1.0000 .
C87 C88 1.43(2) .
C87 H87 1.0000 .
C88 H88 1.0000 .
C89 C90 1.392(17) .
C89 C93 1.402(16) .
C89 H89 1.0000 .
C90 C91 1.385(15) .
C90 H90 1.0000 .
C91 C92 1.419(16) .
C91 H91 1.0000 .
C92 C93 1.390(17) .
C92 H92 1.0000 .
C93 H93 1.0000 .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
B1 F3 1.365(15) .
B1 F4 1.384(17) .
B1 F2 1.386(16) .
B1 F1 1.406(17) .
B2 F6B 1.29(3) .
B2 F8B 1.31(3) .
B2 F6A 1.34(2) .
B2 F5 1.360(16) .
B2 F7A 1.38(3) .
B2 F8A 1.42(2) .
B2 F7B 1.46(4) .
C98A Cl1B 1.73(3) .
C98A Cl2A 1.749(11) .
C98A Cl1A 1.751(11) .
C98A Cl2B 1.94(3) .
C98B Cl2A 1.56(3) .
C98B Cl2B 1.751(10) .
C98B Cl1B 1.756(10) .
C98B Cl1A 1.81(2) .
Cl1A Cl1B 0.631(16) .
C99A C99B 0.59(4) .
C99A Cl3B 1.68(2) .
C99A Cl3A 1.745(11) .
C99A Cl4A 1.748(11) .
C99B Cl4A 1.31(2) .
C99B Cl3B 1.739(11) .
C99B Cl4B 1.756(11) .
C99B Cl3A 2.00(2) .
Cl3A Cl3B 0.626(18) .
Cl4A Cl4B 0.794(18) .
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
C6 Rh1 P1 C16 69.7(7) .
C2 Rh1 P1 C16 -13.2(5) .
C5 Rh1 P1 C16 -26.4(14) .
C1 Rh1 P1 C16 23.2(5) .
P2 Rh1 P1 C16 -173.4(4) .
C6 Rh1 P1 C9 -169.7(7) .
C2 Rh1 P1 C9 107.4(5) .
C5 Rh1 P1 C9 94.2(13) .
C1 Rh1 P1 C9 143.8(5) .
P2 Rh1 P1 C9 -52.8(4) .
C6 Rh1 P1 C10 -47.7(7) .
C2 Rh1 P1 C10 -130.6(5) .
C5 Rh1 P1 C10 -143.8(13) .
C1 Rh1 P1 C10 -94.2(4) .
P2 Rh1 P1 C10 69.2(4) .
C6 Rh1 P2 C28 -122.9(4) .
C2 Rh1 P2 C28 -46.0(8) .
C5 Rh1 P2 C28 -86.6(5) .
C1 Rh1 P2 C28 -153.3(9) .
P1 Rh1 P2 C28 85.6(4) .
C6 Rh1 P2 C22 -2.6(5) .
C2 Rh1 P2 C22 74.3(8) .
C5 Rh1 P2 C22 33.7(5) .
C1 Rh1 P2 C22 -33.1(10) .
P1 Rh1 P2 C22 -154.2(4) .
C6 Rh1 P2 C44 115.6(5) .
C2 Rh1 P2 C44 -167.6(7) .
C5 Rh1 P2 C44 151.8(5) .
C1 Rh1 P2 C44 85.1(10) .
P1 Rh1 P2 C44 -36.0(4) .
O2 Zr1 O1 C9 75.7(10) 3_675
C34 Zr1 O1 C9 -52.0(10) .
C38 Zr1 O1 C9 -67.5(10) .
C43 Zr1 O1 C9 -161.4(9) .
C37 Zr1 O1 C9 -42.0(11) .
C35 Zr1 O1 C9 -19.2(10) .
C39 Zr1 O1 C9 -147.6(10) .
C42 Zr1 O1 C9 160.1(9) .
C41 Zr1 O1 C9 160.3(10) .
C36 Zr1 O1 C9 -10.1(11) .
C40 Zr1 O1 C9 -170.5(10) .
C6 Rh1 C1 C2 101.6(7) .
C5 Rh1 C1 C2 65.5(7) .
P1 Rh1 C1 C2 -103.3(6) .
P2 Rh1 C1 C2 135.0(8) .
C6 Rh1 C1 C7 -2.9(6) .
C2 Rh1 C1 C7 -104.4(9) .
C5 Rh1 C1 C7 -39.0(7) .
P1 Rh1 C1 C7 152.3(6) .
P2 Rh1 C1 C7 30.5(13) .
C7 C1 C2 C3 -0.2(12) .
Rh1 C1 C2 C3 -90.9(8) .
C7 C1 C2 Rh1 90.7(8) .
C6 Rh1 C2 C1 -66.5(7) .
C5 Rh1 C2 C1 -102.6(7) .
P1 Rh1 C2 C1 81.0(6) .
P2 Rh1 C2 C1 -147.9(6) .
C6 Rh1 C2 C3 38.9(7) .
C5 Rh1 C2 C3 2.8(7) .
C1 Rh1 C2 C3 105.4(9) .
P1 Rh1 C2 C3 -173.6(6) .
P2 Rh1 C2 C3 -42.6(11) .
C1 C2 C3 C8 -34.9(11) .
Rh1 C2 C3 C8 -107.5(7) .
C1 C2 C3 C5 68.9(11) .
Rh1 C2 C3 C5 -3.7(9) .
C2 C3 C5 C6 -68.3(11) .
C8 C3 C5 C6 35.8(11) .
C2 C3 C5 Rh1 3.7(9) .
C8 C3 C5 Rh1 107.8(7) .
C2 Rh1 C5 C6 102.6(8) .
C1 Rh1 C5 C6 65.9(7) .
P1 Rh1 C5 C6 117.0(13) .
P2 Rh1 C5 C6 -95.9(7) .
C6 Rh1 C5 C3 -105.4(10) .
C2 Rh1 C5 C3 -2.7(6) .
C1 Rh1 C5 C3 -39.5(7) .
P1 Rh1 C5 C3 11.6(18) .
P2 Rh1 C5 C3 158.8(6) .
C3 C5 C6 C7 -1.4(11) .
Rh1 C5 C6 C7 -91.7(7) .
C3 C5 C6 Rh1 90.3(7) .
C2 Rh1 C6 C5 -65.6(7) .
C1 Rh1 C6 C5 -102.6(7) .
P1 Rh1 C6 C5 -155.0(5) .
P2 Rh1 C6 C5 88.1(7) .
C2 Rh1 C6 C7 39.9(7) .
C5 Rh1 C6 C7 105.4(9) .
C1 Rh1 C6 C7 2.9(6) .
P1 Rh1 C6 C7 -49.6(10) .
P2 Rh1 C6 C7 -166.4(6) .
C5 C6 C7 C8 -33.0(11) .
Rh1 C6 C7 C8 -106.7(7) .
C5 C6 C7 C1 69.9(10) .
Rh1 C6 C7 C1 -3.9(8) .
C2 C1 C7 C6 -68.5(10) .
Rh1 C1 C7 C6 3.8(8) .
C2 C1 C7 C8 34.7(11) .
Rh1 C1 C7 C8 107.0(7) .
C2 C3 C8 C7 53.1(9) .
C5 C3 C8 C7 -52.3(9) .
C6 C7 C8 C3 51.5(9) .
C1 C7 C8 C3 -52.7(9) .
Zr1 O1 C9 P1 -164.8(6) .
C16 P1 C9 O1 -49.1(8) .
C10 P1 C9 O1 62.6(8) .
Rh1 P1 C9 O1 -174.7(5) .
C16 P1 C10 C15 -89.4(9) .
C9 P1 C10 C15 162.4(8) .
Rh1 P1 C10 C15 31.7(9) .
C16 P1 C10 C11 99.6(9) .
C9 P1 C10 C11 -8.7(10) .
Rh1 P1 C10 C11 -139.4(8) .
C15 C10 C11 C12 1.2(16) .
P1 C10 C11 C12 172.1(9) .
C10 C11 C12 C13 -0.1(17) .
C11 C12 C13 C14 -0.6(18) .
C12 C13 C14 C15 0.2(17) .
C11 C10 C15 C14 -1.7(15) .
P1 C10 C15 C14 -172.9(8) .
C13 C14 C15 C10 1.0(16) .
C9 P1 C16 C17 130.4(10) .
C10 P1 C16 C17 19.2(11) .
Rh1 P1 C16 C17 -98.6(9) .
C9 P1 C16 C21 -56.7(10) .
C10 P1 C16 C21 -167.9(9) .
Rh1 P1 C16 C21 74.2(9) .
C21 C16 C17 C18 -2.9(16) .
P1 C16 C17 C18 170.1(9) .
C16 C17 C18 C19 0.2(17) .
C17 C18 C19 C20 3.1(18) .
C18 C19 C20 C21 -3.3(19) .
C19 C20 C21 C16 0.3(18) .
C17 C16 C21 C20 2.7(17) .
P1 C16 C21 C20 -170.6(9) .
C28 P2 C22 C23 27.8(10) .
C44 P2 C22 C23 136.3(9) .
Rh1 P2 C22 C23 -97.4(9) .
C28 P2 C22 C27 -154.6(8) .
C44 P2 C22 C27 -46.1(9) .
Rh1 P2 C22 C27 80.1(8) .
C27 C22 C23 C24 2.4(17) .
P2 C22 C23 C24 179.9(9) .
C22 C23 C24 C25 0.1(19) .
C23 C24 C25 C26 -1.4(19) .
C24 C25 C26 C27 0.3(18) .
C23 C22 C27 C26 -3.4(16) .
P2 C22 C27 C26 178.9(8) .
C25 C26 C27 C22 2.1(17) .
C22 P2 C28 C33 -134.2(9) .
C44 P2 C28 C33 119.4(9) .
Rh1 P2 C28 C33 -8.7(10) .
C22 P2 C28 C29 43.2(9) .
C44 P2 C28 C29 -63.2(9) .
Rh1 P2 C28 C29 168.7(7) .
C33 C28 C29 C30 -2.8(16) .
P2 C28 C29 C30 179.8(8) .
C28 C29 C30 C31 2.3(17) .
C29 C30 C31 C32 -0.2(19) .
C30 C31 C32 C33 -1(2) .
C29 C28 C33 C32 1.1(17) .
P2 C28 C33 C32 178.6(9) .
C31 C32 C33 C28 1.0(18) .
O2 Zr1 C34 C38 116.8(7) 3_675
O1 Zr1 C34 C38 -151.2(7) .
C43 Zr1 C34 C38 -21.4(8) .
C37 Zr1 C34 C38 37.7(7) .
C35 Zr1 C34 C38 116.5(10) .
C39 Zr1 C34 C38 -51.9(8) .
C42 Zr1 C34 C38 -16.5(11) .
C41 Zr1 C34 C38 -73.2(10) .
C36 Zr1 C34 C38 77.8(8) .
C40 Zr1 C34 C38 -79.7(8) .
O2 Zr1 C34 C35 0.3(8) 3_675
O1 Zr1 C34 C35 92.3(7) .
C38 Zr1 C34 C35 -116.5(10) .
C43 Zr1 C34 C35 -137.8(7) .
C37 Zr1 C34 C35 -78.7(7) .
C39 Zr1 C34 C35 -168.4(7) .
C42 Zr1 C34 C35 -133.0(7) .
C41 Zr1 C34 C35 170.4(7) .
C36 Zr1 C34 C35 -38.7(6) .
C40 Zr1 C34 C35 163.8(6) .
C38 C34 C35 C36 1.8(12) .
Zr1 C34 C35 C36 68.3(7) .
C38 C34 C35 Zr1 -66.5(8) .
O2 Zr1 C35 C34 -179.8(6) 3_675
O1 Zr1 C35 C34 -83.6(7) .
C38 Zr1 C35 C34 35.5(6) .
C43 Zr1 C35 C34 57.6(8) .
C37 Zr1 C35 C34 76.4(7) .
C39 Zr1 C35 C34 14.8(9) .
C42 Zr1 C35 C34 97.6(10) .
C36 Zr1 C35 C34 111.9(9) .
C40 Zr1 C35 C34 -26.7(10) .
O2 Zr1 C35 C36 68.3(6) 3_675
O1 Zr1 C35 C36 164.5(6) .
C34 Zr1 C35 C36 -111.9(9) .
C38 Zr1 C35 C36 -76.4(7) .
C43 Zr1 C35 C36 -54.4(8) .
C37 Zr1 C35 C36 -35.5(6) .
C39 Zr1 C35 C36 -97.1(7) .
C42 Zr1 C35 C36 -14.3(12) .
C40 Zr1 C35 C36 -138.7(7) .
C34 C35 C36 C37 -3.0(12) .
Zr1 C35 C36 C37 63.7(8) .
C34 C35 C36 Zr1 -66.7(7) .
O2 Zr1 C36 C37 131.6(7) 3_675
O1 Zr1 C36 C37 -134.1(6) .
C34 Zr1 C36 C37 -78.3(7) .
C38 Zr1 C36 C37 -38.5(6) .
C43 Zr1 C36 C37 23.0(8) .
C35 Zr1 C36 C37 -117.0(10) .
C39 Zr1 C36 C37 -8.8(8) .
C42 Zr1 C36 C37 55.4(8) .
C41 Zr1 C36 C37 67.0(11) .
C40 Zr1 C36 C37 -13.1(13) .
O2 Zr1 C36 C35 -111.4(6) 3_675
O1 Zr1 C36 C35 -17.1(7) .
C34 Zr1 C36 C35 38.8(6) .
C38 Zr1 C36 C35 78.6(7) .
C43 Zr1 C36 C35 140.1(7) .
C37 Zr1 C36 C35 117.0(10) .
C39 Zr1 C36 C35 108.2(7) .
C42 Zr1 C36 C35 172.4(6) .
C41 Zr1 C36 C35 -176.0(8) .
C40 Zr1 C36 C35 103.9(11) .
C35 C36 C37 C38 3.1(12) .
Zr1 C36 C37 C38 67.0(8) .
C35 C36 C37 Zr1 -63.9(7) .
O2 Zr1 C37 C36 -50.1(7) 3_675
O1 Zr1 C37 C36 64.7(8) .
C34 Zr1 C37 C36 77.1(7) .
C38 Zr1 C37 C36 113.3(10) .
C43 Zr1 C37 C36 -157.9(7) .
C35 Zr1 C37 C36 36.3(6) .
C39 Zr1 C37 C36 172.8(7) .
C42 Zr1 C37 C36 -133.9(7) .
C41 Zr1 C37 C36 -145.5(7) .
C40 Zr1 C37 C36 173.8(6) .
O2 Zr1 C37 C38 -163.4(6) 3_675
O1 Zr1 C37 C38 -48.7(8) .
C34 Zr1 C37 C38 -36.3(7) .
C43 Zr1 C37 C38 88.8(7) .
C35 Zr1 C37 C38 -77.0(7) .
C39 Zr1 C37 C38 59.5(7) .
C42 Zr1 C37 C38 112.7(7) .
C41 Zr1 C37 C38 101.2(7) .
C36 Zr1 C37 C38 -113.3(10) .
C40 Zr1 C37 C38 60.5(8) .
C35 C34 C38 C37 0.1(13) .
Zr1 C34 C38 C37 -66.7(8) .
C35 C34 C38 Zr1 66.8(8) .
C36 C37 C38 C34 -2.0(13) .
Zr1 C37 C38 C34 66.8(8) .
C36 C37 C38 Zr1 -68.8(8) .
O2 Zr1 C38 C34 -91.7(8) 3_675
O1 Zr1 C38 C34 30.3(8) .
C43 Zr1 C38 C34 159.7(8) .
C37 Zr1 C38 C34 -114.9(10) .
C35 Zr1 C38 C34 -36.8(7) .
C39 Zr1 C38 C34 126.8(8) .
C42 Zr1 C38 C34 169.1(7) .
C41 Zr1 C38 C34 137.7(7) .
C36 Zr1 C38 C34 -77.6(8) .
C40 Zr1 C38 C34 112.2(7) .
O2 Zr1 C38 C37 23.2(9) 3_675
O1 Zr1 C38 C37 145.3(6) .
C34 Zr1 C38 C37 114.9(10) .
C43 Zr1 C38 C37 -85.4(7) .
C35 Zr1 C38 C37 78.2(7) .
C39 Zr1 C38 C37 -118.3(7) .
C42 Zr1 C38 C37 -76.0(7) .
C41 Zr1 C38 C37 -107.4(7) .
C36 Zr1 C38 C37 37.3(6) .
C40 Zr1 C38 C37 -132.9(7) .
O2 Zr1 C39 C43 -50.6(10) 3_675
O1 Zr1 C39 C43 -160.1(8) .
C34 Zr1 C39 C43 117.2(8) .
C38 Zr1 C39 C43 92.2(8) .
C37 Zr1 C39 C43 63.7(8) .
C35 Zr1 C39 C43 109.2(8) .
C42 Zr1 C39 C43 -35.9(7) .
C41 Zr1 C39 C43 -77.2(8) .
C36 Zr1 C39 C43 68.3(9) .
C40 Zr1 C39 C43 -114.8(11) .
O2 Zr1 C39 C40 64.2(9) 3_675
O1 Zr1 C39 C40 -45.3(7) .
C34 Zr1 C39 C40 -128.0(7) .
C38 Zr1 C39 C40 -153.0(8) .
C43 Zr1 C39 C40 114.8(11) .
C37 Zr1 C39 C40 178.5(7) .
C35 Zr1 C39 C40 -136.0(7) .
C42 Zr1 C39 C40 78.9(8) .
C41 Zr1 C39 C40 37.6(7) .
C36 Zr1 C39 C40 -176.9(6) .
C43 C39 C40 C41 0.8(12) .
Zr1 C39 C40 C41 -65.4(7) .
C43 C39 C40 Zr1 66.2(8) .
O2 Zr1 C40 C41 -21.0(8) 3_675
O1 Zr1 C40 C41 -112.5(8) .
C34 Zr1 C40 C41 173.2(7) .
C38 Zr1 C40 C41 140.8(7) .
C43 Zr1 C40 C41 76.1(8) .
C37 Zr1 C40 C41 111.4(8) .
C35 Zr1 C40 C41 -171.2(7) .
C39 Zr1 C40 C41 113.3(11) .
C42 Zr1 C40 C41 37.0(7) .
C36 Zr1 C40 C41 119.9(10) .
O2 Zr1 C40 C39 -134.3(7) 3_675
O1 Zr1 C40 C39 134.1(8) .
C34 Zr1 C40 C39 59.9(8) .
C38 Zr1 C40 C39 27.5(8) .
C43 Zr1 C40 C39 -37.2(7) .
C37 Zr1 C40 C39 -1.9(9) .
C35 Zr1 C40 C39 75.5(10) .
C42 Zr1 C40 C39 -76.3(8) .
C41 Zr1 C40 C39 -113.3(11) .
C36 Zr1 C40 C39 6.6(14) .
C39 C40 C41 C42 -0.9(12) .
Zr1 C40 C41 C42 -65.6(8) .
C39 C40 C41 Zr1 64.7(7) .
O2 Zr1 C41 C40 160.9(8) 3_675
O1 Zr1 C41 C40 64.2(7) .
C34 Zr1 C41 C40 -11.3(12) .
C38 Zr1 C41 C40 -51.5(9) .
C43 Zr1 C41 C40 -79.2(8) .
C37 Zr1 C41 C40 -94.7(8) .
C39 Zr1 C41 C40 -38.1(7) .
C42 Zr1 C41 C40 -116.0(11) .
C36 Zr1 C41 C40 -134.7(8) .
O2 Zr1 C41 C42 -83.1(7) 3_675
O1 Zr1 C41 C42 -179.8(7) .
C34 Zr1 C41 C42 104.8(9) .
C38 Zr1 C41 C42 64.5(9) .
C43 Zr1 C41 C42 36.8(7) .
C37 Zr1 C41 C42 21.3(9) .
C39 Zr1 C41 C42 77.9(8) .
C36 Zr1 C41 C42 -18.7(12) .
C40 Zr1 C41 C42 116.0(11) .
C40 C41 C42 C43 0.7(12) .
Zr1 C41 C42 C43 -66.6(8) .
C40 C41 C42 Zr1 67.2(8) .
O2 Zr1 C42 C43 -153.5(8) 3_675
O1 Zr1 C42 C43 113.9(8) .
C34 Zr1 C42 C43 -8.9(11) .
C38 Zr1 C42 C43 -18.0(9) .
C37 Zr1 C42 C43 -50.2(8) .
C35 Zr1 C42 C43 -67.5(12) .
C39 Zr1 C42 C43 37.2(8) .
C41 Zr1 C42 C43 113.6(11) .
C36 Zr1 C42 C43 -76.3(9) .
C40 Zr1 C42 C43 77.7(8) .
O2 Zr1 C42 C41 92.9(7) 3_675
O1 Zr1 C42 C41 0.3(9) .
C34 Zr1 C42 C41 -122.5(8) .
C38 Zr1 C42 C41 -131.6(7) .
C43 Zr1 C42 C41 -113.6(11) .
C37 Zr1 C42 C41 -163.8(7) .
C35 Zr1 C42 C41 178.9(8) .
C39 Zr1 C42 C41 -76.4(8) .
C36 Zr1 C42 C41 170.0(7) .
C40 Zr1 C42 C41 -36.0(7) .
C41 C42 C43 C39 -0.1(13) .
Zr1 C42 C43 C39 -67.4(8) .
C41 C42 C43 Zr1 67.3(7) .
C40 C39 C43 C42 -0.5(13) .
Zr1 C39 C43 C42 67.9(8) .
C40 C39 C43 Zr1 -68.4(8) .
O2 Zr1 C43 C42 28.0(9) 3_675
O1 Zr1 C43 C42 -89.6(9) .
C34 Zr1 C43 C42 174.1(8) .
C38 Zr1 C43 C42 163.0(8) .
C37 Zr1 C43 C42 129.7(8) .
C35 Zr1 C43 C42 145.1(7) .
C39 Zr1 C43 C42 -115.7(12) .
C41 Zr1 C43 C42 -38.5(7) .
C36 Zr1 C43 C42 117.6(8) .
C40 Zr1 C43 C42 -78.6(8) .
O2 Zr1 C43 C39 143.6(7) 3_675
O1 Zr1 C43 C39 26.0(10) .
C34 Zr1 C43 C39 -70.2(9) .
C38 Zr1 C43 C39 -81.4(8) .
C37 Zr1 C43 C39 -114.6(8) .
C35 Zr1 C43 C39 -99.2(9) .
C42 Zr1 C43 C39 115.7(12) .
C41 Zr1 C43 C39 77.2(8) .
C36 Zr1 C43 C39 -126.7(8) .
C40 Zr1 C43 C39 37.0(7) .
Zr1 O2 C44 P2 143.3(8) 3_675
C28 P2 C44 O2 66.7(8) .
C22 P2 C44 O2 -42.1(8) .
Rh1 P2 C44 O2 -166.9(6) .
C56 Rh51 P51 C60 -59.0(8) .
C52 Rh51 P51 C60 -139.8(5) .
C51 Rh51 P51 C60 -103.2(4) .
C55 Rh51 P51 C60 -169.4(9) .
P52 Rh51 P51 C60 60.7(4) .
C56 Rh51 P51 C66 58.8(8) .
C52 Rh51 P51 C66 -21.9(5) .
C51 Rh51 P51 C66 14.6(5) .
C55 Rh51 P51 C66 -51.5(10) .
P52 Rh51 P51 C66 178.5(4) .
C56 Rh51 P51 C59 177.3(7) .
C52 Rh51 P51 C59 96.6(5) .
C51 Rh51 P51 C59 133.2(5) .
C55 Rh51 P51 C59 67.0(10) .
P52 Rh51 P51 C59 -62.9(4) .
C56 Rh51 P52 C78 3.6(5) .
C52 Rh51 P52 C78 78.7(8) .
C51 Rh51 P52 C78 -26.2(9) .
C55 Rh51 P52 C78 40.1(5) .
P51 Rh51 P52 C78 -153.2(4) .
C56 Rh51 P52 C72 -113.4(4) .
C52 Rh51 P52 C72 -38.3(8) .
C51 Rh51 P52 C72 -143.2(9) .
C55 Rh51 P52 C72 -76.9(4) .
P51 Rh51 P52 C72 89.8(4) .
C56 Rh51 P52 C94 123.9(5) .
C52 Rh51 P52 C94 -161.0(8) .
C51 Rh51 P52 C94 94.1(9) .
C55 Rh51 P52 C94 160.4(5) .
P51 Rh51 P52 C94 -33.0(4) .
O52 Zr51 O51 C59 92.5(14) 3_676
C87 Zr51 O51 C59 -22.6(16) .
C88 Zr51 O51 C59 -51.4(15) .
C84 Zr51 O51 C59 -36.9(14) .
C93 Zr51 O51 C59 -141.2(14) .
C89 Zr51 O51 C59 -133.0(14) .
C90 Zr51 O51 C59 -158.8(14) .
C92 Zr51 O51 C59 178.6(13) .
C91 Zr51 O51 C59 173.8(14) .
C86 Zr51 O51 C59 7.3(15) .
C85 Zr51 O51 C59 -4.9(14) .
C56 Rh51 C51 C52 101.9(7) .
C55 Rh51 C51 C52 65.6(7) .
P51 Rh51 C51 C52 -98.1(6) .
P52 Rh51 C51 C52 134.6(7) .
C56 Rh51 C51 C57 -3.4(6) .
C52 Rh51 C51 C57 -105.3(9) .
C55 Rh51 C51 C57 -39.7(6) .
P51 Rh51 C51 C57 156.6(6) .
P52 Rh51 C51 C57 29.3(12) .
C57 C51 C52 C53 0.9(11) .
Rh51 C51 C52 C53 -90.0(7) .
C57 C51 C52 Rh51 90.9(7) .
C56 Rh51 C52 C51 -66.4(7) .
C55 Rh51 C52 C51 -102.8(7) .
P51 Rh51 C52 C51 86.5(6) .
P52 Rh51 C52 C51 -145.8(6) .
C56 Rh51 C52 C53 39.8(6) .
C51 Rh51 C52 C53 106.2(9) .
C55 Rh51 C52 C53 3.5(6) .
P51 Rh51 C52 C53 -167.2(6) .
P52 Rh51 C52 C53 -39.6(11) .
C51 C52 C53 C55 68.0(10) .
Rh51 C52 C53 C55 -4.7(8) .
C51 C52 C53 C58 -35.6(10) .
Rh51 C52 C53 C58 -108.3(7) .
C52 C53 C55 C56 -67.4(10) .
C58 C53 C55 C56 35.4(10) .
C52 C53 C55 Rh51 4.7(8) .
C58 C53 C55 Rh51 107.5(7) .
C52 Rh51 C55 C56 102.4(7) .
C51 Rh51 C55 C56 66.0(6) .
P51 Rh51 C55 C56 134.6(9) .
P52 Rh51 C55 C56 -95.1(6) .
C56 Rh51 C55 C53 -105.9(9) .
C52 Rh51 C55 C53 -3.5(6) .
C51 Rh51 C55 C53 -39.9(6) .
P51 Rh51 C55 C53 28.7(13) .
P52 Rh51 C55 C53 159.0(6) .
C53 C55 C56 C57 -1.0(11) .
Rh51 C55 C56 C57 -91.2(7) .
C53 C55 C56 Rh51 90.2(7) .
C52 Rh51 C56 C55 -65.9(6) .
C51 Rh51 C56 C55 -102.4(7) .
P51 Rh51 C56 C55 -151.7(5) .
P52 Rh51 C56 C55 88.4(6) .
C52 Rh51 C56 C57 39.9(7) .
C51 Rh51 C56 C57 3.4(6) .
C55 Rh51 C56 C57 105.9(9) .
P51 Rh51 C56 C57 -45.9(10) .
P52 Rh51 C56 C57 -165.8(6) .
C55 C56 C57 C51 68.9(10) .
Rh51 C56 C57 C51 -4.5(8) .
C55 C56 C57 C58 -33.2(10) .
Rh51 C56 C57 C58 -106.6(7) .
C52 C51 C57 C56 -68.0(10) .
Rh51 C51 C57 C56 4.5(8) .
C52 C51 C57 C58 33.7(10) .
Rh51 C51 C57 C58 106.3(7) .
C55 C53 C58 C57 -52.6(9) .
C52 C53 C58 C57 52.8(9) .
C56 C57 C58 C53 51.0(9) .
C51 C57 C58 C53 -52.3(8) .
Zr51 O51 C59 P51 -177.3(9) .
C60 P51 C59 O51 59.5(8) .
C66 P51 C59 O51 -48.0(8) .
Rh51 P51 C59 O51 -173.8(6) .
C66 P51 C60 C65 -87.0(9) .
C59 P51 C60 C65 166.0(8) .
Rh51 P51 C60 C65 38.1(9) .
C66 P51 C60 C61 93.1(9) .
C59 P51 C60 C61 -14.0(10) .
Rh51 P51 C60 C61 -141.8(8) .
C65 C60 C61 C62 -0.1(16) .
P51 C60 C61 C62 179.8(9) .
C60 C61 C62 C63 2.8(18) .
C61 C62 C63 C64 -4.3(19) .
C62 C63 C64 C65 3.1(18) .
C61 C60 C65 C64 -1.1(15) .
P51 C60 C65 C64 178.9(8) .
C63 C64 C65 C60 -0.4(17) .
C60 P51 C66 C67 -157.9(9) .
C59 P51 C66 C67 -47.0(10) .
Rh51 P51 C66 C67 78.5(9) .
C60 P51 C66 C71 22.8(10) .
C59 P51 C66 C71 133.8(9) .
Rh51 P51 C66 C71 -100.7(8) .
C71 C66 C67 C68 -2.1(16) .
P51 C66 C67 C68 178.6(9) .
C66 C67 C68 C69 2.8(17) .
C67 C68 C69 C70 0.6(17) .
C68 C69 C70 C71 -4.9(18) .
C69 C70 C71 C66 5.6(18) .
C67 C66 C71 C70 -1.8(15) .
P51 C66 C71 C70 177.4(8) .
C78 P52 C72 C73 -135.3(8) .
C94 P52 C72 C73 115.6(9) .
Rh51 P52 C72 C73 -14.3(9) .
C78 P52 C72 C77 45.6(9) .
C94 P52 C72 C77 -63.5(9) .
Rh51 P52 C72 C77 166.5(7) .
C77 C72 C73 C74 1.4(15) .
P52 C72 C73 C74 -177.7(8) .
C72 C73 C74 C75 -0.4(16) .
C73 C74 C75 C76 0.0(17) .
C74 C75 C76 C77 -0.6(18) .
C75 C76 C77 C72 1.7(17) .
C73 C72 C77 C76 -2.1(15) .
P52 C72 C77 C76 177.1(8) .
C72 P52 C78 C79 32.9(10) .
C94 P52 C78 C79 143.0(9) .
Rh51 P52 C78 C79 -88.4(9) .
C72 P52 C78 C83 -156.2(8) .
C94 P52 C78 C83 -46.1(9) .
Rh51 P52 C78 C83 82.5(8) .
C83 C78 C79 C80 0.6(16) .
P52 C78 C79 C80 171.5(9) .
C78 C79 C80 C81 0.3(18) .
C79 C80 C81 C82 -1.5(19) .
C80 C81 C82 C83 1.7(19) .
C81 C82 C83 C78 -0.7(17) .
C79 C78 C83 C82 -0.4(16) .
P52 C78 C83 C82 -171.7(9) .
O51 Zr51 C84 C85 90.7(8) .
O52 Zr51 C84 C85 -2.3(10) 3_676
C87 Zr51 C84 C85 -76.6(9) .
C88 Zr51 C84 C85 -115.2(12) .
C93 Zr51 C84 C85 -141.5(8) .
C89 Zr51 C84 C85 -173.0(8) .
C90 Zr51 C84 C85 162.6(8) .
C92 Zr51 C84 C85 -132.8(8) .
C91 Zr51 C84 C85 175.4(8) .
C86 Zr51 C84 C85 -35.1(8) .
O51 Zr51 C84 C88 -154.1(8) .
O52 Zr51 C84 C88 112.9(8) 3_676
C87 Zr51 C84 C88 38.6(8) .
C93 Zr51 C84 C88 -26.3(9) .
C89 Zr51 C84 C88 -57.7(8) .
C90 Zr51 C84 C88 -82.2(9) .
C92 Zr51 C84 C88 -17.5(11) .
C91 Zr51 C84 C88 -69.3(11) .
C86 Zr51 C84 C88 80.2(9) .
C85 Zr51 C84 C88 115.2(12) .
C88 C84 C85 C86 -0.4(14) .
Zr51 C84 C85 C86 65.5(9) .
C88 C84 C85 Zr51 -66.0(9) .
O51 Zr51 C85 C86 157.6(8) .
O52 Zr51 C85 C86 60.9(8) 3_676
C87 Zr51 C85 C86 -38.2(8) .
C88 Zr51 C85 C86 -80.2(9) .
C84 Zr51 C85 C86 -117.3(12) .
C93 Zr51 C85 C86 -66.7(10) .
C89 Zr51 C85 C86 -108.3(9) .
C90 Zr51 C85 C86 -147.2(9) .
C92 Zr51 C85 C86 -28.0(13) .
O51 Zr51 C85 C84 -85.1(8) .
O52 Zr51 C85 C84 178.2(8) 3_676
C87 Zr51 C85 C84 79.1(9) .
C88 Zr51 C85 C84 37.1(8) .
C93 Zr51 C85 C84 50.5(10) .
C89 Zr51 C85 C84 8.9(11) .
C90 Zr51 C85 C84 -29.9(13) .
C92 Zr51 C85 C84 89.2(12) .
C86 Zr51 C85 C84 117.3(12) .
C84 C85 C86 C87 -1.4(14) .
Zr51 C85 C86 C87 63.2(9) .
C84 C85 C86 Zr51 -64.6(9) .
O51 Zr51 C86 C85 -24.1(9) .
O52 Zr51 C86 C85 -119.3(8) 3_676
C87 Zr51 C86 C85 115.0(12) .
C88 Zr51 C86 C85 76.4(8) .
C84 Zr51 C86 C85 36.0(8) .
C93 Zr51 C86 C85 129.6(8) .
C89 Zr51 C86 C85 98.3(9) .
C90 Zr51 C86 C85 101.9(17) .
C92 Zr51 C86 C85 164.1(8) .
C91 Zr51 C86 C85 -175.8(8) .
O51 Zr51 C86 C87 -139.1(8) .
O52 Zr51 C86 C87 125.7(9) 3_676
C88 Zr51 C86 C87 -38.6(8) .
C84 Zr51 C86 C87 -79.0(9) .
C93 Zr51 C86 C87 14.6(9) .
C89 Zr51 C86 C87 -16.7(11) .
C90 Zr51 C86 C87 -13.1(19) .
C92 Zr51 C86 C87 49.1(9) .
C91 Zr51 C86 C87 69.2(11) .
C85 Zr51 C86 C87 -115.0(12) .
C85 C86 C87 C88 2.6(14) .
Zr51 C86 C87 C88 68.8(8) .
C85 C86 C87 Zr51 -66.2(9) .
O51 Zr51 C87 C88 -55.1(11) .
O52 Zr51 C87 C88 -168.3(8) 3_676
C84 Zr51 C87 C88 -37.4(8) .
C93 Zr51 C87 C88 80.8(9) .
C89 Zr51 C87 C88 54.5(9) .
C90 Zr51 C87 C88 62.2(10) .
C92 Zr51 C87 C88 107.9(8) .
C91 Zr51 C87 C88 103.6(9) .
C86 Zr51 C87 C88 -112.9(12) .
C85 Zr51 C87 C88 -77.2(9) .
O51 Zr51 C87 C86 57.8(10) .
O52 Zr51 C87 C86 -55.5(8) 3_676
C88 Zr51 C87 C86 112.9(12) .
C84 Zr51 C87 C86 75.5(9) .
C93 Zr51 C87 C86 -166.4(9) .
C89 Zr51 C87 C86 167.4(8) .
C90 Zr51 C87 C86 175.0(7) .
C92 Zr51 C87 C86 -139.3(8) .
C91 Zr51 C87 C86 -143.5(7) .
C85 Zr51 C87 C86 35.7(8) .
C85 C84 C88 C87 2.0(14) .
Zr51 C84 C88 C87 -65.5(8) .
C85 C84 C88 Zr51 67.6(9) .
C86 C87 C88 C84 -2.8(14) .
Zr51 C87 C88 C84 67.3(9) .
C86 C87 C88 Zr51 -70.2(9) .
O51 Zr51 C88 C84 27.6(9) .
O52 Zr51 C88 C84 -97.3(9) 3_676
C87 Zr51 C88 C84 -113.4(12) .
C93 Zr51 C88 C84 154.1(9) .
C89 Zr51 C88 C84 121.4(8) .
C90 Zr51 C88 C84 112.5(8) .
C92 Zr51 C88 C84 167.7(7) .
C91 Zr51 C88 C84 142.0(7) .
C86 Zr51 C88 C84 -75.1(8) .
C85 Zr51 C88 C84 -36.5(8) .
O51 Zr51 C88 C87 141.0(8) .
O52 Zr51 C88 C87 16.1(11) 3_676
C84 Zr51 C88 C87 113.4(12) .
C93 Zr51 C88 C87 -92.5(9) .
C89 Zr51 C88 C87 -125.2(9) .
C90 Zr51 C88 C87 -134.1(9) .
C92 Zr51 C88 C87 -78.9(9) .
C91 Zr51 C88 C87 -104.6(9) .
C86 Zr51 C88 C87 38.3(8) .
C85 Zr51 C88 C87 76.9(9) .
O51 Zr51 C89 C90 -54.0(8) .
O52 Zr51 C89 C90 53.1(9) 3_676
C87 Zr51 C89 C90 168.9(8) .
C88 Zr51 C89 C90 -164.0(8) .
C84 Zr51 C89 C90 -136.6(8) .
C93 Zr51 C89 C90 113.8(11) .
C92 Zr51 C89 C90 76.9(8) .
C91 Zr51 C89 C90 36.0(7) .
C86 Zr51 C89 C90 178.0(7) .
C85 Zr51 C89 C90 -141.4(8) .
O51 Zr51 C89 C93 -167.8(8) .
O52 Zr51 C89 C93 -60.8(9) 3_676
C87 Zr51 C89 C93 55.1(8) .
C88 Zr51 C89 C93 82.2(8) .
C84 Zr51 C89 C93 109.5(8) .
C90 Zr51 C89 C93 -113.8(11) .
C92 Zr51 C89 C93 -37.0(7) .
C91 Zr51 C89 C93 -77.9(8) .
C86 Zr51 C89 C93 64.2(10) .
C85 Zr51 C89 C93 104.8(9) .
C93 C89 C90 C91 0.9(13) .
Zr51 C89 C90 C91 -66.3(8) .
C93 C89 C90 Zr51 67.1(8) .
O51 Zr51 C90 C91 -118.6(7) .
O52 Zr51 C90 C91 -24.8(8) 3_676
C87 Zr51 C90 C91 101.9(8) .
C88 Zr51 C90 C91 133.1(7) .
C84 Zr51 C90 C91 167.5(7) .
C93 Zr51 C90 C91 78.6(8) .
C89 Zr51 C90 C91 116.3(11) .
C92 Zr51 C90 C91 38.3(7) .
C86 Zr51 C90 C91 111.3(15) .
C85 Zr51 C90 C91 -175.1(8) .
O51 Zr51 C90 C89 125.0(8) .
O52 Zr51 C90 C89 -141.1(7) 3_676
C87 Zr51 C90 C89 -14.4(10) .
C88 Zr51 C90 C89 16.8(9) .
C84 Zr51 C90 C89 51.1(9) .
C93 Zr51 C90 C89 -37.7(7) .
C92 Zr51 C90 C89 -78.0(8) .
C91 Zr51 C90 C89 -116.3(11) .
C86 Zr51 C90 C89 -5.0(19) .
C85 Zr51 C90 C89 68.6(11) .
C89 C90 C91 C92 -1.2(12) .
Zr51 C90 C91 C92 -67.1(7) .
C89 C90 C91 Zr51 65.9(8) .
O51 Zr51 C91 C90 59.6(7) .
O52 Zr51 C91 C90 156.5(8) 3_676
C87 Zr51 C91 C90 -105.3(8) .
C88 Zr51 C91 C90 -61.9(9) .
C84 Zr51 C91 C90 -21.8(12) .
C93 Zr51 C91 C90 -76.7(8) .
C89 Zr51 C91 C90 -36.3(7) .
C92 Zr51 C91 C90 -113.2(10) .
C86 Zr51 C91 C90 -146.6(9) .
O51 Zr51 C91 C92 172.8(7) .
O52 Zr51 C91 C92 -90.3(7) 3_676
C87 Zr51 C91 C92 7.9(9) .
C88 Zr51 C91 C92 51.3(9) .
C84 Zr51 C91 C92 91.4(10) .
C93 Zr51 C91 C92 36.5(7) .
C89 Zr51 C91 C92 76.9(7) .
C90 Zr51 C91 C92 113.2(10) .
C86 Zr51 C91 C92 -33.4(12) .
C90 C91 C92 C93 1.2(12) .
Zr51 C91 C92 C93 -66.2(8) .
C90 C91 C92 Zr51 67.4(7) .
O51 Zr51 C92 C93 106.2(7) .
O52 Zr51 C92 C93 -160.1(7) 3_676
C87 Zr51 C92 C93 -58.7(8) .
C88 Zr51 C92 C93 -25.8(8) .
C84 Zr51 C92 C93 -16.1(10) .
C89 Zr51 C92 C93 37.4(7) .
C90 Zr51 C92 C93 77.8(7) .
C91 Zr51 C92 C93 115.2(10) .
C86 Zr51 C92 C93 -83.3(8) .
C85 Zr51 C92 C93 -66.9(11) .
O51 Zr51 C92 C91 -9.0(8) .
O52 Zr51 C92 C91 84.8(7) 3_676
C87 Zr51 C92 C91 -173.9(7) .
C88 Zr51 C92 C91 -140.9(7) .
C84 Zr51 C92 C91 -131.3(7) .
C93 Zr51 C92 C91 -115.2(10) .
C89 Zr51 C92 C91 -77.7(7) .
C90 Zr51 C92 C91 -37.4(6) .
C86 Zr51 C92 C91 161.6(6) .
C85 Zr51 C92 C91 178.0(8) .
C91 C92 C93 C89 -0.6(13) .
Zr51 C92 C93 C89 -67.0(8) .
C91 C92 C93 Zr51 66.3(7) .
C90 C89 C93 C92 -0.1(13) .
Zr51 C89 C93 C92 67.3(8) .
C90 C89 C93 Zr51 -67.5(8) .
O51 Zr51 C93 C92 -98.9(7) .
O52 Zr51 C93 C92 21.4(8) 3_676
C87 Zr51 C93 C92 120.7(8) .
C88 Zr51 C93 C92 154.6(8) .
C84 Zr51 C93 C92 168.6(7) .
C89 Zr51 C93 C92 -114.4(11) .
C90 Zr51 C93 C92 -77.1(8) .
C91 Zr51 C93 C92 -37.2(7) .
C86 Zr51 C93 C92 112.7(7) .
C85 Zr51 C93 C92 143.6(7) .
O51 Zr51 C93 C89 15.5(10) .
O52 Zr51 C93 C89 135.8(7) 3_676
C87 Zr51 C93 C89 -124.9(9) .
C88 Zr51 C93 C89 -91.0(8) .
C84 Zr51 C93 C89 -77.0(8) .
C90 Zr51 C93 C89 37.3(7) .
C92 Zr51 C93 C89 114.4(11) .
C91 Zr51 C93 C89 77.2(8) .
C86 Zr51 C93 C89 -132.9(8) .
C85 Zr51 C93 C89 -102.0(9) .
Zr51 O52 C94 P52 162.8(6) 3_676
C78 P52 C94 O52 -47.9(8) .
C72 P52 C94 O52 61.9(8) .
Rh51 P52 C94 O52 -172.1(6) .
Cl2A C98A Cl1A Cl1B 47(5) .
Cl2B C98A Cl1A Cl1B 49(5) .
Cl2A C98B Cl1A Cl1B 46(2) .
Cl2B C98B Cl1A Cl1B 48(2) .
C98B Cl1A Cl1B C98A 5(3) .
C98A Cl1A Cl1B C98B -5(3) .
Cl2A C98A Cl1B Cl1A -136(4) .
Cl2B C98A Cl1B Cl1A -136(4) .
Cl2A C98B Cl1B Cl1A -138(2) .
Cl2B C98B Cl1B Cl1A -139(2) .
Cl3B C99A C99B Cl4A -101(3) .
Cl3A C99A C99B Cl4A -101(4) .
Cl3A C99A C99B Cl3B 0(2) .
Cl4A C99A C99B Cl3B 101(3) .
Cl3B C99A C99B Cl4B -104(6) .
Cl3A C99A C99B Cl4B -103(6) .
Cl4A C99A C99B Cl4B -3(3) .
Cl3B C99A C99B Cl3A 0(2) .
Cl4A C99A C99B Cl3A 101(4) .
C99B C99A Cl3A Cl3B -1(6) .
Cl4A C99A Cl3A Cl3B -38(3) .
Cl3B C99A Cl3A C99B 1(6) .
Cl4A C99A Cl3A C99B -38(5) .
C99A C99B Cl3A Cl3B 179(7) .
Cl4A C99B Cl3A Cl3B -61(3) .
Cl4B C99B Cl3A Cl3B -33(3) .
Cl4A C99B Cl3A C99A 120(8) .
Cl3B C99B Cl3A C99A -179(7) .
Cl4B C99B Cl3A C99A 148(8) .
C99B Cl3A Cl3B C99A 0(2) .
C99A Cl3A Cl3B C99B 0(2) .
C99B C99A Cl3B Cl3A 179(6) .
Cl4A C99A Cl3B Cl3A 144(3) .
Cl3A C99A Cl3B C99B -179(6) .
Cl4A C99A Cl3B C99B -35(4) .
C99A C99B Cl3B Cl3A -1(6) .
Cl4A C99B Cl3B Cl3A 126(3) .
Cl4B C99B Cl3B Cl3A 152(3) .
Cl4A C99B Cl3B C99A 126(7) .
Cl4B C99B Cl3B C99A 153(7) .
Cl3A C99B Cl3B C99A 1(6) .
C99A C99B Cl4A Cl4B -177(3) .
Cl3B C99B Cl4A Cl4B 98(2) .
Cl3A C99B Cl4A Cl4B 114(2) .
Cl3B C99B Cl4A C99A -85(4) .
Cl4B C99B Cl4A C99A 177(3) .
Cl3A C99B Cl4A C99A -68(4) .
C99B C99A Cl4A Cl4B 3(4) .
Cl3B C99A Cl4A Cl4B 82(3) .
Cl3A C99A Cl4A Cl4B 95(3) .
Cl3B C99A Cl4A C99B 78(4) .
Cl3A C99A Cl4A C99B 91(4) .
C99A Cl4A Cl4B C99B -0.9(10) .
C99A C99B Cl4B Cl4A 5(6) .
Cl3B C99B Cl4B Cl4A -90(3) .
Cl3A C99B Cl4B Cl4A -80(3) .
