#------------------------------------------------------------------------------
#$Date: 2021-05-03 11:10:53 +0300 (Mon, 03 May 2021) $
#$Revision: 264764 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/30/4343059.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_4343059
loop_
_publ_author_name
'Daigle, Maxime'
'Bi, Wenhua'
'Légaré, Marc-André'
'Morin, Jean-François'
'Fontaine, Frédéric-Georges'
_publ_section_title
;
 Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel
 Metallocavitands.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5547
_journal_page_last               5555
_journal_paper_doi               10.1021/acs.inorgchem.5b00634
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C68 H80 Cl6 O10 Zr4, 2/3(C6 H6) '
_chemical_formula_sum            'C72 H84 Cl6 O10 Zr4'
_chemical_formula_weight         1686.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 99.8730(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   12.18860(10)
_cell_length_b                   38.8446(5)
_cell_length_c                   24.5475(3)
_cell_measurement_reflns_used    9723
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.2
_cell_measurement_theta_min      2.3
_cell_volume                     11450.2(2)
_computing_cell_refinement       'SMART APEX II'
_computing_data_collection       'SMART APEX II (Bruker, 2007)'
_computing_data_reduction        'SAINT+ (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2007)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
_diffrn_measurement_method       'ω scans'
_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  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            123455
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         0.99
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.9107
_exptl_absorpt_correction_T_min  0.7315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5148
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.757
_refine_diff_density_min         -1.304
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1261
_refine_ls_number_reflns         23353
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0459P)²+35.8186P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1531
_reflns_number_gt                19326
_reflns_number_total             23353
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00634_si_002.cif
_cod_data_source_block           md2171(4)
_cod_depositor_comments
;
Adding full bibliography for 4343054--4343060.cif.

2021-05-03
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C216 H252 Cl18 O30 Zr12'
_cod_original_formula_weight         5060.92
_cod_original_formula_moiety         '3(C68 H80 Cl6 O10 Zr4), 2(C6 H6) '
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4343059
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Zr1 Zr -0.58173(4) 0.135873(15) -0.59043(2) 0.04544(14) Uani 1 1 d .
Zr2 Zr -0.35475(4) 0.184554(12) -0.498442(19) 0.03458(11) Uani 1 1 d .
Zr3 Zr -0.13403(5) 0.102884(14) -0.34999(2) 0.04372(13) Uani 1 1 d .
Zr4 Zr 0.11110(5) 0.150614(16) -0.26877(2) 0.05151(15) Uani 1 1 d .
Zr5 Zr 0.49381(4) 0.066824(11) 0.010391(18) 0.02848(10) Uani 1 1 d .
Zr6 Zr 0.69663(4) 0.096629(12) 0.136030(19) 0.03414(11) Uani 1 1 d .
Cl1 Cl -0.60072(16) 0.16983(6) -0.67754(7) 0.0797(5) Uani 1 1 d .
Cl2 Cl -0.44132(14) 0.09628(5) -0.61476(9) 0.0742(5) Uani 1 1 d .
Cl3 Cl -0.48634(13) 0.13059(4) -0.48751(6) 0.0517(3) Uani 1 1 d .
Cl4 Cl 0.00114(13) 0.15440(4) -0.36943(6) 0.0553(4) Uani 1 1 d .
Cl5 Cl -0.01934(17) 0.19227(5) -0.24044(9) 0.0821(6) Uani 1 1 d .
Cl6 Cl 0.14397(17) 0.11873(6) -0.18064(7) 0.0827(6) Uani 1 1 d .
Cl7 Cl 0.58703(11) 0.04009(3) 0.10780(5) 0.0429(3) Uani 1 1 d .
Cl8 Cl 0.73804(15) 0.15686(4) 0.11622(7) 0.0633(4) Uani 1 1 d .
Cl9 Cl 0.85326(12) 0.07465(5) 0.09462(6) 0.0607(4) Uani 1 1 d .
O1 O -0.4315(3) 0.16998(9) -0.57798(16) 0.0464(9) Uani 1 1 d .
O2 O -0.6430(3) 0.18336(11) -0.55689(17) 0.0531(10) Uani 1 1 d .
O3 O -0.5149(3) 0.20776(10) -0.49218(16) 0.0481(9) Uani 1 1 d .
O4 O -0.2379(3) 0.14443(9) -0.49949(16) 0.0462(9) Uani 1 1 d .
O5 O -0.1692(3) 0.10572(10) -0.43706(16) 0.0493(9) Uani 1 1 d .
O6 O -0.3283(3) 0.17955(9) -0.41161(15) 0.0460(9) Uani 1 1 d .
O7 O -0.2439(4) 0.14486(10) -0.34582(16) 0.0546(10) Uani 1 1 d .
O8 O -0.0428(3) 0.11776(11) -0.27323(19) 0.0618(11) Uani 1 1 d .
O9 O 0.0189(3) 0.07724(11) -0.36092(18) 0.0571(11) Uani 1 1 d .
O10 O 0.1621(4) 0.10174(12) -0.30464(19) 0.0611(11) Uani 1 1 d .
O11 O 0.6085(3) -0.02327(9) -0.01464(14) 0.0369(8) Uani 1 1 d .
O12 O 0.6144(3) 0.03379(8) -0.01599(14) 0.0366(8) Uani 1 1 d .
O13 O 0.4029(3) 0.09170(8) 0.06885(14) 0.0362(8) Uani 1 1 d .
O14 O 0.5255(3) 0.11532(9) 0.13631(14) 0.0426(8) Uani 1 1 d .
O15 O 0.6238(3) 0.09963(9) 0.04574(14) 0.0397(8) Uani 1 1 d .
C1 C -0.7875(6) 0.1272(2) -0.6160(4) 0.082(2) Uani 1 1 d .
C2 C -0.7433(7) 0.1037(3) -0.6482(4) 0.092(3) Uani 1 1 d .
C3 C -0.6886(7) 0.0796(2) -0.6156(5) 0.086(3) Uani 1 1 d U
C4 C -0.6962(6) 0.0870(3) -0.5596(4) 0.091(3) Uani 1 1 d U
C5 C -0.7627(7) 0.1187(2) -0.5615(4) 0.081(2) Uani 1 1 d .
C6 C -0.8627(7) 0.1570(3) -0.6392(7) 0.166(6) Uani 1 1 d .
H6A H -0.8924 0.1679 -0.6097 0.250 Uiso 1 1 calc R
H6B H -0.9227 0.1485 -0.6663 0.250 Uiso 1 1 calc R
H6C H -0.8203 0.1735 -0.6561 0.250 Uiso 1 1 calc R
C7 C -0.7579(11) 0.1026(4) -0.7120(5) 0.178(7) Uani 1 1 d .
H7A H -0.6983 0.1150 -0.7240 0.267 Uiso 1 1 calc R
H7B H -0.8278 0.1129 -0.7276 0.267 Uiso 1 1 calc R
H7C H -0.7567 0.0791 -0.7240 0.267 Uiso 1 1 calc R
C8 C -0.6414(10) 0.0463(3) -0.6360(8) 0.196(8) Uani 1 1 d .
H8A H -0.6364 0.0486 -0.6745 0.295 Uiso 1 1 calc R
H8B H -0.6896 0.0274 -0.6313 0.295 Uiso 1 1 calc R
H8C H -0.5686 0.0421 -0.6151 0.295 Uiso 1 1 calc R
C9 C -0.6581(12) 0.0661(4) -0.5090(7) 0.244(11) Uani 1 1 d .
H9A H -0.7000 0.0450 -0.5111 0.365 Uiso 1 1 calc R
H9B H -0.6695 0.0789 -0.4770 0.365 Uiso 1 1 calc R
H9C H -0.5804 0.0609 -0.5064 0.365 Uiso 1 1 calc R
C10 C -0.8024(10) 0.1361(4) -0.5145(6) 0.179(7) Uani 1 1 d .
H10A H -0.7741 0.1593 -0.5111 0.268 Uiso 1 1 calc R
H10B H -0.7763 0.1238 -0.4809 0.268 Uiso 1 1 calc R
H10C H -0.8823 0.1367 -0.5211 0.268 Uiso 1 1 calc R
C11 C -0.6103(5) 0.20641(15) -0.5225(2) 0.0461(13) Uani 1 1 d .
C12 C -0.6907(5) 0.23485(15) -0.5171(2) 0.0473(13) Uani 1 1 d .
C13 C -0.7761(5) 0.24206(19) -0.5613(3) 0.0658(18) Uani 1 1 d .
H13 H -0.7837 0.2289 -0.5933 0.079 Uiso 1 1 calc R
C14 C -0.8486(6) 0.2685(2) -0.5574(4) 0.083(2) Uani 1 1 d .
H14 H -0.9046 0.2733 -0.5872 0.100 Uiso 1 1 calc R
C15 C -0.8403(6) 0.2880(2) -0.5109(4) 0.083(3) Uani 1 1 d .
H15 H -0.8903 0.3059 -0.5089 0.100 Uiso 1 1 calc R
C16 C -0.7581(7) 0.28108(18) -0.4668(3) 0.074(2) Uani 1 1 d .
H16 H -0.7532 0.2940 -0.4346 0.088 Uiso 1 1 calc R
C17 C -0.6823(6) 0.25504(17) -0.4700(3) 0.0605(16) Uani 1 1 d .
H17 H -0.6252 0.2510 -0.4403 0.073 Uiso 1 1 calc R
C18 C -0.3375(5) 0.24078(14) -0.5456(2) 0.0501(14) Uani 1 1 d .
C19 C -0.3149(5) 0.24767(14) -0.4884(3) 0.0498(14) Uani 1 1 d .
C20 C -0.2142(5) 0.23192(14) -0.4662(2) 0.0477(13) Uani 1 1 d .
C21 C -0.1723(5) 0.21470(14) -0.5090(3) 0.0488(13) Uani 1 1 d .
C22 C -0.2502(5) 0.22030(15) -0.5588(2) 0.0515(14) Uani 1 1 d .
C23 C -0.4339(6) 0.25517(19) -0.5862(3) 0.074(2) Uani 1 1 d .
H23A H -0.4861 0.2659 -0.5663 0.111 Uiso 1 1 calc R
H23B H -0.4701 0.2368 -0.6086 0.111 Uiso 1 1 calc R
H23C H -0.4067 0.2719 -0.6094 0.111 Uiso 1 1 calc R
C24 C -0.3796(6) 0.27097(16) -0.4573(3) 0.070(2) Uani 1 1 d .
H24A H -0.3815 0.2614 -0.4214 0.106 Uiso 1 1 calc R
H24B H -0.4542 0.2733 -0.4772 0.106 Uiso 1 1 calc R
H24C H -0.3447 0.2932 -0.4533 0.106 Uiso 1 1 calc R
C25 C -0.1527(6) 0.23623(18) -0.4080(3) 0.070(2) Uani 1 1 d .
H25A H -0.0939 0.2527 -0.4075 0.105 Uiso 1 1 calc R
H25B H -0.1217 0.2145 -0.3944 0.105 Uiso 1 1 calc R
H25C H -0.2033 0.2442 -0.3848 0.105 Uiso 1 1 calc R
C26 C -0.0613(5) 0.19815(19) -0.5047(3) 0.0688(19) Uani 1 1 d .
H26A H -0.0073 0.2151 -0.5108 0.103 Uiso 1 1 calc R
H26B H -0.0647 0.1803 -0.5321 0.103 Uiso 1 1 calc R
H26C H -0.0402 0.1883 -0.4685 0.103 Uiso 1 1 calc R
C27 C -0.2328(7) 0.2095(2) -0.6156(3) 0.078(2) Uani 1 1 d .
H27A H -0.3027 0.2099 -0.6405 0.116 Uiso 1 1 calc R
H27B H -0.2029 0.1866 -0.6139 0.116 Uiso 1 1 calc R
H27C H -0.1817 0.2250 -0.6285 0.116 Uiso 1 1 calc R
C28 C -0.1818(4) 0.11781(12) -0.4851(2) 0.0354(11) Uani 1 1 d .
C29 C -0.1283(4) 0.09999(13) -0.5274(2) 0.0393(11) Uani 1 1 d .
C30 C -0.1601(5) 0.10721(16) -0.5826(3) 0.0533(15) Uani 1 1 d .
H30 H -0.2158 0.1233 -0.5939 0.064 Uiso 1 1 calc R
C31 C -0.1090(7) 0.09036(19) -0.6220(3) 0.0699(19) Uani 1 1 d .
H31 H -0.1328 0.0944 -0.6596 0.084 Uiso 1 1 calc R
C32 C -0.0234(7) 0.06786(19) -0.6046(3) 0.076(2) Uani 1 1 d .
H32 H 0.0122 0.0570 -0.6305 0.092 Uiso 1 1 calc R
C33 C 0.0102(7) 0.0612(2) -0.5497(4) 0.079(2) Uani 1 1 d .
H33 H 0.0691 0.0462 -0.5383 0.095 Uiso 1 1 calc R
C34 C -0.0432(5) 0.07668(16) -0.5116(3) 0.0584(16) Uani 1 1 d .
H34 H -0.0218 0.0714 -0.4743 0.070 Uiso 1 1 calc R
C35 C -0.3065(5) 0.16996(14) -0.3621(2) 0.0416(12) Uani 1 1 d .
C36 C -0.3594(5) 0.18935(16) -0.3212(2) 0.0517(14) Uani 1 1 d .
C37 C -0.3205(7) 0.1854(2) -0.2652(3) 0.083(3) Uani 1 1 d .
H37 H -0.2616 0.1705 -0.2529 0.099 Uiso 1 1 calc R
C38 C -0.3705(9) 0.2037(3) -0.2276(3) 0.116(4) Uani 1 1 d .
H38 H -0.3439 0.2014 -0.1899 0.139 Uiso 1 1 calc R
C39 C -0.4588(8) 0.2252(3) -0.2452(4) 0.112(4) Uani 1 1 d .
H39 H -0.4927 0.2371 -0.2196 0.134 Uiso 1 1 calc R
C40 C -0.4963(7) 0.2291(3) -0.3004(4) 0.100(3) Uani 1 1 d .
H40 H -0.5553 0.2440 -0.3125 0.120 Uiso 1 1 calc R
C41 C -0.4476(6) 0.21120(19) -0.3388(3) 0.0664(19) Uani 1 1 d .
H41 H -0.4744 0.2139 -0.3763 0.080 Uiso 1 1 calc R
C42 C -0.3162(5) 0.07569(18) -0.3352(3) 0.0649(19) Uani 1 1 d .
C43 C -0.2802(5) 0.05568(15) -0.3775(3) 0.0602(17) Uani 1 1 d .
C44 C -0.1802(5) 0.03946(16) -0.3540(4) 0.066(2) Uani 1 1 d .
C45 C -0.1551(6) 0.0480(2) -0.2974(4) 0.077(2) Uani 1 1 d .
C46 C -0.2405(7) 0.0702(2) -0.2865(3) 0.077(2) Uani 1 1 d .
C47 C -0.4258(6) 0.0948(2) -0.3421(4) 0.095(3) Uani 1 1 d .
H47A H -0.4328 0.1060 -0.3080 0.142 Uiso 1 1 calc R
H47B H -0.4861 0.0789 -0.3519 0.142 Uiso 1 1 calc R
H47C H -0.4281 0.1118 -0.3708 0.142 Uiso 1 1 calc R
C48 C -0.3413(7) 0.0507(2) -0.4351(4) 0.085(2) Uani 1 1 d .
H48A H -0.3827 0.0712 -0.4471 0.127 Uiso 1 1 calc R
H48B H -0.3916 0.0316 -0.4360 0.127 Uiso 1 1 calc R
H48C H -0.2889 0.0462 -0.4594 0.127 Uiso 1 1 calc R
C49 C -0.1189(8) 0.01385(19) -0.3846(5) 0.113(4) Uani 1 1 d .
H49A H -0.1584 -0.0076 -0.3883 0.169 Uiso 1 1 calc R
H49B H -0.0451 0.0103 -0.3644 0.169 Uiso 1 1 calc R
H49C H -0.1144 0.0227 -0.4207 0.169 Uiso 1 1 calc R
C50 C -0.0603(8) 0.0344(3) -0.2556(5) 0.121(4) Uani 1 1 d .
H50A H -0.0445 0.0502 -0.2252 0.181 Uiso 1 1 calc R
H50B H 0.0046 0.0319 -0.2726 0.181 Uiso 1 1 calc R
H50C H -0.0803 0.0124 -0.2423 0.181 Uiso 1 1 calc R
C51 C -0.2527(10) 0.0855(3) -0.2298(4) 0.131(4) Uani 1 1 d .
H51A H -0.2148 0.1072 -0.2248 0.196 Uiso 1 1 calc R
H51B H -0.2206 0.0699 -0.2010 0.196 Uiso 1 1 calc R
H51C H -0.3301 0.0888 -0.2283 0.196 Uiso 1 1 calc R
C52 C 0.1204(5) 0.07859(17) -0.3382(3) 0.0557(15) Uani 1 1 d .
C53 C 0.1972(5) 0.05067(17) -0.3516(3) 0.0618(18) Uani 1 1 d .
C54 C 0.2996(6) 0.0459(2) -0.3191(4) 0.087(3) Uani 1 1 d .
H54 H 0.3226 0.0601 -0.2887 0.105 Uiso 1 1 calc R
C55 C 0.3700(8) 0.0193(2) -0.3323(6) 0.115(4) Uani 1 1 d .
H55 H 0.4403 0.0164 -0.3110 0.138 Uiso 1 1 calc R
C56 C 0.3359(9) -0.0021(2) -0.3755(6) 0.116(4) Uani 1 1 d .
H56 H 0.3812 -0.0202 -0.3830 0.139 Uiso 1 1 calc R
C57 C 0.2353(8) 0.0031(2) -0.4080(5) 0.101(3) Uani 1 1 d .
H57 H 0.2134 -0.0110 -0.4385 0.121 Uiso 1 1 calc R
C58 C 0.1654(7) 0.0287(2) -0.3964(4) 0.081(2) Uani 1 1 d .
H58 H 0.0962 0.0315 -0.4188 0.097 Uiso 1 1 calc R
C59 C 0.2196(6) 0.1981(2) -0.3074(3) 0.0687(19) Uani 1 1 d .
C60 C 0.2235(6) 0.2078(2) -0.2522(3) 0.0719(19) Uani 1 1 d .
C61 C 0.2853(6) 0.1817(2) -0.2188(3) 0.0705(19) Uani 1 1 d .
C62 C 0.3201(5) 0.1568(2) -0.2534(3) 0.0689(19) Uani 1 1 d .
C63 C 0.2810(6) 0.1669(2) -0.3091(3) 0.071(2) Uani 1 1 d .
C64 C 0.1735(8) 0.2199(3) -0.3560(4) 0.106(3) Uani 1 1 d .
H64A H 0.1051 0.2303 -0.3500 0.160 Uiso 1 1 calc R
H64B H 0.1596 0.2059 -0.3887 0.160 Uiso 1 1 calc R
H64C H 0.2262 0.2376 -0.3607 0.160 Uiso 1 1 calc R
C65 C 0.1869(9) 0.2412(2) -0.2321(4) 0.105(3) Uani 1 1 d .
H65A H 0.2406 0.2587 -0.2362 0.157 Uiso 1 1 calc R
H65B H 0.1804 0.2392 -0.1938 0.157 Uiso 1 1 calc R
H65C H 0.1160 0.2475 -0.2532 0.157 Uiso 1 1 calc R
C66 C 0.3194(9) 0.1824(3) -0.1573(3) 0.109(3) Uani 1 1 d .
H66A H 0.3479 0.1602 -0.1447 0.163 Uiso 1 1 calc R
H66B H 0.2560 0.1878 -0.1405 0.163 Uiso 1 1 calc R
H66C H 0.3761 0.1995 -0.1473 0.163 Uiso 1 1 calc R
C67 C 0.3951(7) 0.1275(2) -0.2333(4) 0.095(3) Uani 1 1 d .
H67A H 0.4645 0.1363 -0.2138 0.143 Uiso 1 1 calc R
H67B H 0.4084 0.1140 -0.2643 0.143 Uiso 1 1 calc R
H67C H 0.3606 0.1134 -0.2089 0.143 Uiso 1 1 calc R
C68 C 0.3069(7) 0.1495(3) -0.3602(3) 0.098(3) Uani 1 1 d .
H68A H 0.3812 0.1404 -0.3528 0.148 Uiso 1 1 calc R
H68B H 0.3013 0.1660 -0.3897 0.148 Uiso 1 1 calc R
H68C H 0.2549 0.1311 -0.3707 0.148 Uiso 1 1 calc R
C69 C 0.3539(4) 0.07030(13) -0.0799(2) 0.0379(11) Uani 1 1 d .
C70 C 0.3381(4) 0.10002(14) -0.0491(2) 0.0403(12) Uani 1 1 d .
C71 C 0.4354(5) 0.12012(13) -0.0446(2) 0.0429(12) Uani 1 1 d .
C72 C 0.5111(5) 0.10308(13) -0.0729(2) 0.0424(12) Uani 1 1 d .
C73 C 0.4605(4) 0.07233(13) -0.0949(2) 0.0381(11) Uani 1 1 d .
C74 C 0.2669(5) 0.04359(15) -0.0988(3) 0.0545(15) Uani 1 1 d .
H74A H 0.2188 0.0516 -0.1314 0.082 Uiso 1 1 calc R
H74B H 0.2239 0.0395 -0.0701 0.082 Uiso 1 1 calc R
H74C H 0.3023 0.0226 -0.1069 0.082 Uiso 1 1 calc R
C75 C 0.2323(5) 0.11004(19) -0.0309(3) 0.0634(18) Uani 1 1 d .
H75A H 0.1791 0.1171 -0.0624 0.095 Uiso 1 1 calc R
H75B H 0.2461 0.1287 -0.0050 0.095 Uiso 1 1 calc R
H75C H 0.2033 0.0907 -0.0135 0.095 Uiso 1 1 calc R
C76 C 0.4515(6) 0.15507(14) -0.0176(3) 0.0653(19) Uani 1 1 d .
H76A H 0.4440 0.1532 0.0205 0.098 Uiso 1 1 calc R
H76B H 0.3962 0.1707 -0.0361 0.098 Uiso 1 1 calc R
H76C H 0.5243 0.1636 -0.0202 0.098 Uiso 1 1 calc R
C77 C 0.6218(6) 0.1163(2) -0.0828(3) 0.0703(19) Uani 1 1 d .
H77A H 0.6753 0.0980 -0.0775 0.105 Uiso 1 1 calc R
H77B H 0.6462 0.1346 -0.0573 0.105 Uiso 1 1 calc R
H77C H 0.6145 0.1248 -0.1200 0.105 Uiso 1 1 calc R
C78 C 0.5060(5) 0.04815(16) -0.1333(2) 0.0534(15) Uani 1 1 d .
H78A H 0.4858 0.0250 -0.1259 0.080 Uiso 1 1 calc R
H78B H 0.5857 0.0501 -0.1276 0.080 Uiso 1 1 calc R
H78C H 0.4757 0.0540 -0.1709 0.080 Uiso 1 1 calc R
C79 C 0.6544(4) 0.00464(12) -0.02401(18) 0.0284(9) Uani 1 1 d .
C80 C 0.7605(4) 0.00348(13) -0.0454(2) 0.0386(11) Uani 1 1 d .
C81 C 0.8289(5) 0.03165(16) -0.0427(3) 0.0583(16) Uani 1 1 d .
H81 H 0.8088 0.0521 -0.0272 0.070 Uiso 1 1 calc R
C82 C 0.9280(6) 0.02977(19) -0.0630(4) 0.078(2) Uani 1 1 d .
H82 H 0.9745 0.0489 -0.0609 0.094 Uiso 1 1 calc R
C83 C 0.9575(6) 0.0002(2) -0.0860(4) 0.083(2) Uani 1 1 d .
H83 H 1.0242 -0.0010 -0.0994 0.100 Uiso 1 1 calc R
C84 C 0.8911(7) -0.0273(2) -0.0894(4) 0.101(3) Uani 1 1 d .
H84 H 0.9117 -0.0474 -0.1057 0.121 Uiso 1 1 calc R
C85 C 0.7921(6) -0.02652(17) -0.0691(3) 0.072(2) Uani 1 1 d .
H85 H 0.7470 -0.0460 -0.0713 0.086 Uiso 1 1 calc R
C86 C 0.4291(4) 0.11129(13) 0.1099(2) 0.0383(11) Uani 1 1 d .
C87 C 0.3364(4) 0.13102(14) 0.1290(2) 0.0427(12) Uani 1 1 d .
C88 C 0.3611(5) 0.15964(16) 0.1623(3) 0.0577(16) Uani 1 1 d .
H88 H 0.4347 0.1664 0.1734 0.069 Uiso 1 1 calc R
C89 C 0.2755(7) 0.17824(19) 0.1791(3) 0.072(2) Uani 1 1 d .
H89 H 0.2922 0.1975 0.2015 0.086 Uiso 1 1 calc R
C90 C 0.1686(6) 0.16861(19) 0.1633(3) 0.071(2) Uani 1 1 d .
H90 H 0.1119 0.1814 0.1745 0.085 Uiso 1 1 calc R
C91 C 0.1436(5) 0.14039(19) 0.1312(3) 0.0644(18) Uani 1 1 d .
H91 H 0.0696 0.1337 0.1209 0.077 Uiso 1 1 calc R
C92 C 0.2268(5) 0.12137(16) 0.1138(3) 0.0543(15) Uani 1 1 d .
H92 H 0.2087 0.1020 0.0917 0.065 Uiso 1 1 calc R
C93 C 0.6651(5) 0.08017(18) 0.2312(2) 0.0526(15) Uani 1 1 d .
C94 C 0.7014(5) 0.11467(17) 0.2356(2) 0.0558(16) Uani 1 1 d .
C95 C 0.8150(5) 0.11510(19) 0.2284(2) 0.0598(17) Uani 1 1 d .
C96 C 0.8464(5) 0.08107(19) 0.2207(2) 0.0573(16) Uani 1 1 d .
C97 C 0.7545(5) 0.05966(17) 0.2219(2) 0.0541(15) Uani 1 1 d .
C98 C 0.5531(6) 0.0677(3) 0.2407(3) 0.086(3) Uani 1 1 d .
H98A H 0.5342 0.0468 0.2202 0.129 Uiso 1 1 calc R
H98B H 0.4979 0.0849 0.2286 0.129 Uiso 1 1 calc R
H98C H 0.5558 0.0633 0.2794 0.129 Uiso 1 1 calc R
C99 C 0.6382(8) 0.1454(2) 0.2503(3) 0.093(3) Uani 1 1 d .
H99A H 0.6537 0.1648 0.2287 0.139 Uiso 1 1 calc R
H99B H 0.6606 0.1505 0.2889 0.139 Uiso 1 1 calc R
H99C H 0.5598 0.1405 0.2429 0.139 Uiso 1 1 calc R
C100 C 0.8897(8) 0.1464(2) 0.2349(4) 0.109(4) Uani 1 1 d .
H10D H 0.9127 0.1513 0.2735 0.163 Uiso 1 1 calc R
H10E H 0.8498 0.1658 0.2170 0.163 Uiso 1 1 calc R
H10F H 0.9541 0.1420 0.2183 0.163 Uiso 1 1 calc R
C101 C 0.9643(6) 0.0688(3) 0.2197(3) 0.099(3) Uani 1 1 d .
H10G H 0.9983 0.0617 0.2562 0.149 Uiso 1 1 calc R
H10H H 1.0067 0.0872 0.2076 0.149 Uiso 1 1 calc R
H10I H 0.9624 0.0497 0.1947 0.149 Uiso 1 1 calc R
C102 C 0.7603(8) 0.02132(19) 0.2206(3) 0.087(3) Uani 1 1 d .
H10J H 0.7990 0.0142 0.1915 0.130 Uiso 1 1 calc R
H10K H 0.6863 0.0120 0.2140 0.130 Uiso 1 1 calc R
H10L H 0.7995 0.0130 0.2554 0.130 Uiso 1 1 calc R
C103 C -0.0655(5) 0.1328(2) -0.0849(3) 0.104(3) Uani 1 1 d G
H103 H -0.0391 0.1153 -0.1052 0.124 Uiso 1 1 calc R
C104 C -0.1000(6) 0.1639(3) -0.1102(2) 0.120(4) Uani 1 1 d G
H104 H -0.0968 0.1672 -0.1474 0.144 Uiso 1 1 calc R
C105 C -0.1393(5) 0.18995(17) -0.0799(4) 0.129(5) Uani 1 1 d G
H105 H -0.1624 0.2108 -0.0968 0.155 Uiso 1 1 calc R
C106 C -0.1441(5) 0.18492(17) -0.0243(4) 0.121(4) Uani 1 1 d G
H106 H -0.1705 0.2024 -0.0040 0.145 Uiso 1 1 calc R
C107 C -0.1096(5) 0.1538(2) 0.0010(2) 0.095(3) Uani 1 1 d G
H107 H -0.1128 0.1505 0.0382 0.113 Uiso 1 1 calc R
C108 C -0.0703(5) 0.12775(14) -0.0293(3) 0.089(3) Uani 1 1 d G
H108 H -0.0472 0.1069 -0.0124 0.107 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
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
O2 Zr1 O1 77.00(14) . .
O2 Zr1 Cl2 155.92(12) . .
O1 Zr1 Cl2 79.38(10) . .
O2 Zr1 Cl1 83.67(12) . .
O1 Zr1 Cl1 75.94(11) . .
Cl2 Zr1 Cl1 95.12(8) . .
O2 Zr1 C1 79.4(2) . .
O1 Zr1 C1 151.1(2) . .
Cl2 Zr1 C1 124.5(2) . .
Cl1 Zr1 C1 85.1(2) . .
O2 Zr1 C5 75.4(2) . .
O1 Zr1 C5 148.6(2) . .
Cl2 Zr1 C5 125.7(2) . .
Cl1 Zr1 C5 115.2(2) . .
C1 Zr1 C5 31.5(3) . .
O2 Zr1 C2 109.9(3) . .
O1 Zr1 C2 154.5(3) . .
Cl2 Zr1 C2 93.5(3) . .
Cl1 Zr1 C2 80.4(3) . .
C1 Zr1 C2 31.6(3) . .
C5 Zr1 C2 52.9(3) . .
O2 Zr1 C4 106.0(3) . .
O1 Zr1 C4 151.4(2) . .
Cl2 Zr1 C4 92.6(3) . .
Cl1 Zr1 C4 132.5(2) . .
C1 Zr1 C4 53.0(3) . .
C5 Zr1 C4 33.8(3) . .
C2 Zr1 C4 52.3(3) . .
O2 Zr1 C3 127.8(2) . .
O1 Zr1 C3 155.1(2) . .
Cl2 Zr1 C3 75.70(19) . .
Cl1 Zr1 C3 106.0(3) . .
C1 Zr1 C3 51.7(3) . .
C5 Zr1 C3 53.8(3) . .
C2 Zr1 C3 30.2(3) . .
C4 Zr1 C3 32.3(3) . .
O2 Zr1 Cl3 80.02(11) . .
O1 Zr1 Cl3 72.25(11) . .
Cl2 Zr1 Cl3 88.43(6) . .
Cl1 Zr1 Cl3 146.74(6) . .
C1 Zr1 Cl3 119.7(2) . .
C5 Zr1 Cl3 88.4(2) . .
C2 Zr1 Cl3 132.5(2) . .
C4 Zr1 Cl3 80.2(2) . .
C3 Zr1 Cl3 106.9(3) . .
O1 Zr2 O6 152.13(15) . .
O1 Zr2 O4 89.06(15) . .
O6 Zr2 O4 87.59(14) . .
O1 Zr2 O3 85.13(14) . .
O6 Zr2 O3 87.14(14) . .
O4 Zr2 O3 156.80(15) . .
O1 Zr2 C18 82.19(17) . .
O6 Zr2 C18 122.56(18) . .
O4 Zr2 C18 121.93(18) . .
O3 Zr2 C18 79.53(18) . .
O1 Zr2 C19 113.88(17) . .
O6 Zr2 C19 89.85(17) . .
O4 Zr2 C19 127.11(18) . .
O3 Zr2 C19 75.46(18) . .
C18 Zr2 C19 32.71(19) . .
O1 Zr2 C22 77.97(18) . .
O6 Zr2 C22 129.61(18) . .
O4 Zr2 C22 89.40(18) . .
O3 Zr2 C22 111.20(18) . .
C18 Zr2 C22 32.6(2) . .
C19 Zr2 C22 53.9(2) . .
O1 Zr2 C20 130.88(17) . .
O6 Zr2 C20 76.98(17) . .
O4 Zr2 C20 96.75(17) . .
O3 Zr2 C20 104.03(17) . .
C18 Zr2 C20 53.57(18) . .
C19 Zr2 C20 32.08(18) . .
C22 Zr2 C20 53.5(2) . .
O1 Zr2 C21 106.61(18) . .
O6 Zr2 C21 99.17(18) . .
O4 Zr2 C21 74.80(17) . .
O3 Zr2 C21 128.37(17) . .
C18 Zr2 C21 53.90(19) . .
C19 Zr2 C21 53.55(19) . .
C22 Zr2 C21 32.59(19) . .
C20 Zr2 C21 32.07(19) . .
O1 Zr2 Cl3 72.69(11) . .
O6 Zr2 Cl3 79.46(11) . .
O4 Zr2 Cl3 80.83(11) . .
O3 Zr2 Cl3 75.99(11) . .
C18 Zr2 Cl3 146.06(14) . .
C19 Zr2 Cl3 149.93(15) . .
C22 Zr2 Cl3 149.13(15) . .
C20 Zr2 Cl3 156.41(14) . .
C21 Zr2 Cl3 155.63(13) . .
O8 Zr3 O5 151.60(17) . .
O8 Zr3 O7 89.25(16) . .
O5 Zr3 O7 89.34(15) . .
O8 Zr3 O9 84.44(17) . .
O5 Zr3 O9 85.87(16) . .
O7 Zr3 O9 156.98(17) . .
O8 Zr3 C44 112.6(2) . .
O5 Zr3 C44 90.4(2) . .
O7 Zr3 C44 127.81(19) . .
O9 Zr3 C44 74.80(18) . .
O8 Zr3 C45 81.9(3) . .
O5 Zr3 C45 122.7(3) . .
O7 Zr3 C45 120.2(2) . .
O9 Zr3 C45 80.8(2) . .
C44 Zr3 C45 32.4(3) . .
O8 Zr3 C46 80.4(2) . .
O5 Zr3 C46 127.8(2) . .
O7 Zr3 C46 87.8(2) . .
O9 Zr3 C46 112.8(2) . .
C44 Zr3 C46 53.2(3) . .
C45 Zr3 C46 32.4(2) . .
O8 Zr3 C42 109.1(2) . .
O5 Zr3 C42 97.8(2) . .
O7 Zr3 C42 74.9(2) . .
O9 Zr3 C42 128.11(19) . .
C44 Zr3 C42 53.5(2) . .
C45 Zr3 C42 53.7(2) . .
C46 Zr3 C42 31.9(2) . .
O8 Zr3 C43 132.1(2) . .
O5 Zr3 C43 76.1(2) . .
O7 Zr3 C43 98.42(19) . .
O9 Zr3 C43 102.23(19) . .
C44 Zr3 C43 32.1(2) . .
C45 Zr3 C43 53.5(3) . .
C46 Zr3 C43 53.0(3) . .
C42 Zr3 C43 32.4(2) . .
O8 Zr3 Cl4 72.99(13) . .
O5 Zr3 Cl4 78.76(11) . .
O7 Zr3 Cl4 81.23(13) . .
O9 Zr3 Cl4 75.76(12) . .
C44 Zr3 Cl4 149.23(16) . .
C45 Zr3 Cl4 146.93(18) . .
C46 Zr3 Cl4 151.3(2) . .
C42 Zr3 Cl4 155.89(16) . .
C43 Zr3 Cl4 154.83(17) . .
O10 Zr4 O8 77.55(16) . .
O10 Zr4 Cl5 156.06(13) . .
O8 Zr4 Cl5 79.21(13) . .
O10 Zr4 Cl6 84.51(13) . .
O8 Zr4 Cl6 76.53(12) . .
Cl5 Zr4 Cl6 95.64(8) . .
O10 Zr4 C62 78.3(2) . .
O8 Zr4 C62 150.7(2) . .
Cl5 Zr4 C62 125.58(19) . .
Cl6 Zr4 C62 84.78(18) . .
O10 Zr4 C63 75.8(2) . .
O8 Zr4 C63 148.6(2) . .
Cl5 Zr4 C63 124.2(2) . .
Cl6 Zr4 C63 116.68(19) . .
C62 Zr4 C63 32.7(2) . .
O10 Zr4 C59 105.8(2) . .
O8 Zr4 C59 150.77(19) . .
Cl5 Zr4 C59 91.8(2) . .
Cl6 Zr4 C59 132.39(17) . .
C62 Zr4 C59 53.9(2) . .
C63 Zr4 C59 32.8(2) . .
O10 Zr4 C61 109.1(2) . .
O8 Zr4 C61 154.5(2) . .
Cl5 Zr4 C61 94.44(19) . .
Cl6 Zr4 C61 79.65(18) . .
C62 Zr4 C61 31.9(2) . .
C63 Zr4 C61 53.3(2) . .
C59 Zr4 C61 52.9(2) . .
O10 Zr4 C60 127.9(2) . .
O8 Zr4 C60 154.3(2) . .
Cl5 Zr4 C60 75.07(18) . .
Cl6 Zr4 C60 106.82(18) . .
C62 Zr4 C60 53.4(3) . .
C63 Zr4 C60 53.3(3) . .
C59 Zr4 C60 31.5(2) . .
C61 Zr4 C60 32.2(2) . .
O10 Zr4 Cl4 78.82(12) . .
O8 Zr4 Cl4 72.41(12) . .
Cl5 Zr4 Cl4 88.78(7) . .
Cl6 Zr4 Cl4 147.19(7) . .
C62 Zr4 Cl4 118.59(17) . .
C63 Zr4 Cl4 86.40(17) . .
C59 Zr4 Cl4 79.72(16) . .
C61 Zr4 Cl4 132.52(17) . .
C60 Zr4 Cl4 105.73(18) . .
O15 Zr5 O11 150.92(14) . 3_655
O15 Zr5 O12 88.87(13) . .
O11 Zr5 O12 88.66(12) 3_655 .
O15 Zr5 O13 83.79(13) . .
O11 Zr5 O13 87.23(13) 3_655 .
O12 Zr5 O13 156.83(13) . .
O15 Zr5 C71 81.13(16) . .
O11 Zr5 C71 124.87(16) 3_655 .
O12 Zr5 C71 118.71(16) . .
O13 Zr5 C71 81.88(16) . .
O15 Zr5 C72 80.46(16) . .
O11 Zr5 C72 128.23(16) 3_655 .
O12 Zr5 C72 86.12(16) . .
O13 Zr5 C72 114.09(16) . .
C71 Zr5 C72 32.61(18) . .
O15 Zr5 C70 111.45(16) . .
O11 Zr5 C70 92.63(16) 3_655 .
O12 Zr5 C70 128.06(15) . .
O13 Zr5 C70 74.93(15) . .
C71 Zr5 C70 32.39(18) . .
C72 Zr5 C70 53.67(18) . .
O15 Zr5 C73 110.16(15) . .
O11 Zr5 C73 97.12(15) 3_655 .
O12 Zr5 C73 75.02(15) . .
O13 Zr5 C73 128.12(14) . .
C71 Zr5 C73 53.52(16) . .
C72 Zr5 C73 32.21(16) . .
C70 Zr5 C73 53.29(16) . .
O15 Zr5 C69 132.02(15) . .
O11 Zr5 C69 76.91(15) 3_655 .
O12 Zr5 C69 99.24(15) . .
O13 Zr5 C69 101.99(15) . .
C71 Zr5 C69 53.45(16) . .
C72 Zr5 C69 53.41(17) . .
C70 Zr5 C69 32.12(16) . .
C73 Zr5 C69 32.09(17) . .
O15 Zr5 Cl7 72.04(10) . .
O11 Zr5 Cl7 78.99(10) 3_655 .
O12 Zr5 Cl7 80.14(10) . .
O13 Zr5 Cl7 76.70(9) . .
C71 Zr5 Cl7 147.10(12) . .
C72 Zr5 Cl7 149.34(13) . .
C70 Zr5 Cl7 150.75(12) . .
C73 Zr5 Cl7 154.96(12) . .
C69 Zr5 Cl7 155.90(12) . .
O14 Zr6 O15 76.83(13) . .
O14 Zr6 Cl8 85.06(11) . .
O15 Zr6 Cl8 79.35(10) . .
O14 Zr6 Cl9 156.01(10) . .
O15 Zr6 Cl9 79.28(10) . .
Cl8 Zr6 Cl9 92.77(6) . .
O14 Zr6 C93 77.65(17) . .
O15 Zr6 C93 146.41(17) . .
Cl8 Zr6 C93 119.66(16) . .
Cl9 Zr6 C93 123.21(15) . .
O14 Zr6 C94 76.80(17) . .
O15 Zr6 C94 151.37(16) . .
Cl8 Zr6 C94 87.48(17) . .
Cl9 Zr6 C94 127.05(15) . .
C93 Zr6 C94 32.4(2) . .
O14 Zr6 C97 108.08(18) . .
O15 Zr6 C97 148.47(17) . .
Cl8 Zr6 C97 131.51(16) . .
Cl9 Zr6 C97 91.23(15) . .
C93 Zr6 C97 32.1(2) . .
C94 Zr6 C97 53.2(2) . .
O14 Zr6 C95 107.03(19) . .
O15 Zr6 C95 157.36(18) . .
Cl8 Zr6 C95 78.81(16) . .
Cl9 Zr6 C95 95.91(17) . .
C93 Zr6 C95 53.4(2) . .
C94 Zr6 C95 32.4(2) . .
C97 Zr6 C95 52.7(2) . .
O14 Zr6 C96 127.56(17) . .
O15 Zr6 C96 155.36(17) . .
Cl8 Zr6 C96 103.90(17) . .
Cl9 Zr6 C96 76.18(15) . .
C93 Zr6 C96 52.7(2) . .
C94 Zr6 C96 52.7(2) . .
C97 Zr6 C96 31.6(2) . .
C95 Zr6 C96 31.4(2) . .
O14 Zr6 Cl7 80.58(10) . .
O15 Zr6 Cl7 71.51(10) . .
Cl8 Zr6 Cl7 149.73(5) . .
Cl9 Zr6 Cl7 89.79(5) . .
C93 Zr6 Cl7 83.08(15) . .
C94 Zr6 Cl7 114.59(17) . .
C97 Zr6 Cl7 78.53(16) . .
C95 Zr6 Cl7 130.92(16) . .
C96 Zr6 Cl7 106.00(17) . .
Zr1 Cl3 Zr2 90.95(5) . .
Zr4 Cl4 Zr3 91.20(5) . .
Zr6 Cl7 Zr5 91.74(4) . .
Zr2 O1 Zr1 120.79(19) . .
C11 O2 Zr1 139.9(4) . .
C11 O3 Zr2 133.1(4) . .
C28 O4 Zr2 159.8(4) . .
C28 O5 Zr3 160.6(4) . .
C35 O6 Zr2 167.4(4) . .
C35 O7 Zr3 158.7(4) . .
Zr3 O8 Zr4 120.5(2) . .
C52 O9 Zr3 136.1(4) . .
C52 O10 Zr4 139.1(4) . .
C79 O11 Zr5 169.1(3) . 3_655
C79 O12 Zr5 153.1(3) . .
C86 O13 Zr5 134.9(3) . .
C86 O14 Zr6 139.5(3) . .
Zr5 O15 Zr6 121.25(17) . .
C5 C1 C2 111.0(9) . .
C5 C1 C6 124.7(10) . .
C2 C1 C6 124.1(11) . .
C5 C1 Zr1 75.0(4) . .
C2 C1 Zr1 76.0(4) . .
C6 C1 Zr1 120.3(6) . .
C3 C2 C1 109.2(9) . .
C3 C2 C7 123.1(11) . .
C1 C2 C7 127.6(11) . .
C3 C2 Zr1 75.6(5) . .
C1 C2 Zr1 72.3(4) . .
C7 C2 Zr1 121.4(6) . .
C2 C3 C4 109.2(8) . .
C2 C3 C8 125.0(12) . .
C4 C3 C8 125.1(12) . .
C2 C3 Zr1 74.1(5) . .
C4 C3 Zr1 73.1(4) . .
C8 C3 Zr1 126.4(6) . .
C3 C4 C5 105.4(7) . .
C3 C4 C9 129.3(13) . .
C5 C4 C9 124.9(13) . .
C3 C4 Zr1 74.5(4) . .
C5 C4 Zr1 72.1(4) . .
C9 C4 Zr1 123.1(6) . .
C1 C5 C4 105.2(7) . .
C1 C5 C10 127.1(11) . .
C4 C5 C10 127.5(11) . .
C1 C5 Zr1 73.5(4) . .
C4 C5 Zr1 74.1(4) . .
C10 C5 Zr1 120.9(6) . .
C1 C6 H6A 109.5 . .
C1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C3 C8 H8A 109.5 . .
C3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O2 C11 O3 125.4(5) . .
O2 C11 C12 116.8(5) . .
O3 C11 C12 117.8(5) . .
C17 C12 C13 118.2(6) . .
C17 C12 C11 122.3(5) . .
C13 C12 C11 119.4(6) . .
C14 C13 C12 120.0(7) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C15 C14 C13 121.3(8) . .
C15 C14 H14 119.3 . .
C13 C14 H14 119.3 . .
C14 C15 C16 119.5(7) . .
C14 C15 H15 120.2 . .
C16 C15 H15 120.2 . .
C15 C16 C17 120.4(7) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C16 C17 C12 120.4(7) . .
C16 C17 H17 119.8 . .
C12 C17 H17 119.8 . .
C19 C18 C22 108.0(5) . .
C19 C18 C23 125.8(6) . .
C22 C18 C23 126.0(6) . .
C19 C18 Zr2 73.9(3) . .
C22 C18 Zr2 74.9(3) . .
C23 C18 Zr2 120.8(4) . .
C20 C19 C18 108.3(5) . .
C20 C19 C24 124.9(6) . .
C18 C19 C24 126.4(6) . .
C20 C19 Zr2 75.6(3) . .
C18 C19 Zr2 73.4(3) . .
C24 C19 Zr2 122.2(4) . .
C19 C20 C21 108.9(5) . .
C19 C20 C25 125.6(6) . .
C21 C20 C25 125.1(6) . .
C19 C20 Zr2 72.3(3) . .
C21 C20 Zr2 74.7(3) . .
C25 C20 Zr2 125.0(4) . .
C20 C21 C22 107.0(5) . .
C20 C21 C26 126.4(6) . .
C22 C21 C26 126.1(6) . .
C20 C21 Zr2 73.2(3) . .
C22 C21 Zr2 72.3(3) . .
C26 C21 Zr2 126.2(4) . .
C18 C22 C21 107.8(5) . .
C18 C22 C27 127.0(6) . .
C21 C22 C27 124.8(6) . .
C18 C22 Zr2 72.5(3) . .
C21 C22 Zr2 75.1(3) . .
C27 C22 Zr2 123.7(4) . .
C18 C23 H23A 109.5 . .
C18 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C18 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C19 C24 H24A 109.5 . .
C19 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C19 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C20 C25 H25A 109.5 . .
C20 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C20 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C21 C26 H26A 109.5 . .
C21 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C21 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C22 C27 H27A 109.5 . .
C22 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C22 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O5 C28 O4 123.0(5) . .
O5 C28 C29 119.0(4) . .
O4 C28 C29 118.0(5) . .
C30 C29 C34 118.8(5) . .
C30 C29 C28 120.7(5) . .
C34 C29 C28 120.5(5) . .
C29 C30 C31 120.2(6) . .
C29 C30 H30 119.9 . .
C31 C30 H30 119.9 . .
C32 C31 C30 119.1(7) . .
C32 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
C33 C32 C31 120.9(6) . .
C33 C32 H32 119.6 . .
C31 C32 H32 119.6 . .
C32 C33 C34 119.7(7) . .
C32 C33 H33 120.2 . .
C34 C33 H33 120.2 . .
C33 C34 C29 121.3(7) . .
C33 C34 H34 119.4 . .
C29 C34 H34 119.4 . .
O6 C35 O7 123.6(5) . .
O6 C35 C36 117.2(5) . .
O7 C35 C36 119.2(5) . .
C41 C36 C37 119.6(6) . .
C41 C36 C35 120.4(5) . .
C37 C36 C35 120.0(5) . .
C36 C37 C38 119.3(7) . .
C36 C37 H37 120.4 . .
C38 C37 H37 120.4 . .
C39 C38 C37 120.9(8) . .
C39 C38 H38 119.5 . .
C37 C38 H38 119.5 . .
C40 C39 C38 119.4(8) . .
C40 C39 H39 120.3 . .
C38 C39 H39 120.3 . .
C39 C40 C41 120.8(8) . .
C39 C40 H40 119.6 . .
C41 C40 H40 119.6 . .
C36 C41 C40 120.0(7) . .
C36 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C46 C42 C43 107.5(6) . .
C46 C42 C47 127.8(8) . .
C43 C42 C47 124.2(7) . .
C46 C42 Zr3 73.7(4) . .
C43 C42 Zr3 74.7(3) . .
C47 C42 Zr3 123.8(5) . .
C44 C43 C42 107.3(7) . .
C44 C43 C48 126.1(7) . .
C42 C43 C48 126.5(6) . .
C44 C43 Zr3 72.4(4) . .
C42 C43 Zr3 72.8(4) . .
C48 C43 Zr3 123.5(5) . .
C43 C44 C45 109.1(6) . .
C43 C44 C49 123.7(8) . .
C45 C44 C49 126.9(7) . .
C43 C44 Zr3 75.6(4) . .
C45 C44 Zr3 73.9(4) . .
C49 C44 Zr3 122.2(5) . .
C46 C45 C44 106.8(6) . .
C46 C45 C50 126.2(9) . .
C44 C45 C50 126.9(8) . .
C46 C45 Zr3 74.0(4) . .
C44 C45 Zr3 73.7(4) . .
C50 C45 Zr3 120.7(5) . .
C42 C46 C45 109.3(7) . .
C42 C46 C51 124.2(8) . .
C45 C46 C51 126.4(8) . .
C42 C46 Zr3 74.3(4) . .
C45 C46 Zr3 73.6(4) . .
C51 C46 Zr3 120.1(6) . .
C42 C47 H47A 109.5 . .
C42 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C42 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C43 C48 H48A 109.5 . .
C43 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C43 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C44 C49 H49A 109.5 . .
C44 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C44 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C45 C50 H50A 109.5 . .
C45 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C45 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C46 C51 H51A 109.5 . .
C46 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C46 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
O10 C52 O9 124.6(6) . .
O10 C52 C53 117.3(6) . .
O9 C52 C53 118.1(6) . .
C54 C53 C58 118.6(7) . .
C54 C53 C52 120.5(7) . .
C58 C53 C52 120.9(6) . .
C53 C54 C55 119.4(9) . .
C53 C54 H54 120.3 . .
C55 C54 H54 120.3 . .
C56 C55 C54 120.7(10) . .
C56 C55 H55 119.7 . .
C54 C55 H55 119.7 . .
C55 C56 C57 119.6(9) . .
C55 C56 H56 120.2 . .
C57 C56 H56 120.2 . .
C56 C57 C58 121.1(10) . .
C56 C57 H57 119.5 . .
C58 C57 H57 119.5 . .
C57 C58 C53 120.6(9) . .
C57 C58 H58 119.7 . .
C53 C58 H58 119.7 . .
C60 C59 C63 109.0(6) . .
C60 C59 C64 124.6(8) . .
C63 C59 C64 125.9(8) . .
C60 C59 Zr4 76.5(4) . .
C63 C59 Zr4 72.8(4) . .
C64 C59 Zr4 124.1(5) . .
C59 C60 C61 107.0(7) . .
C59 C60 C65 126.5(8) . .
C61 C60 C65 125.8(8) . .
C59 C60 Zr4 72.0(4) . .
C61 C60 Zr4 72.4(4) . .
C65 C60 Zr4 128.2(6) . .
C62 C61 C60 108.9(7) . .
C62 C61 C66 124.3(8) . .
C60 C61 C66 126.4(8) . .
C62 C61 Zr4 72.3(4) . .
C60 C61 Zr4 75.4(4) . .
C66 C61 Zr4 123.7(6) . .
C61 C62 C63 108.0(7) . .
C61 C62 C67 124.0(7) . .
C63 C62 C67 127.8(7) . .
C61 C62 Zr4 75.8(4) . .
C63 C62 Zr4 73.7(4) . .
C67 C62 Zr4 121.5(6) . .
C62 C63 C59 107.1(6) . .
C62 C63 C68 126.5(8) . .
C59 C63 C68 126.2(8) . .
C62 C63 Zr4 73.5(4) . .
C59 C63 Zr4 74.5(4) . .
C68 C63 Zr4 121.3(5) . .
C59 C64 H64A 109.5 . .
C59 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C59 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C60 C65 H65A 109.5 . .
C60 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C60 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C61 C66 H66A 109.5 . .
C61 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C61 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C62 C67 H67A 109.5 . .
C62 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C62 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C63 C68 H68A 109.5 . .
C63 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C63 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C70 C69 C73 108.1(5) . .
C70 C69 C74 125.3(5) . .
C73 C69 C74 126.2(5) . .
C70 C69 Zr5 73.2(3) . .
C73 C69 Zr5 73.9(3) . .
C74 C69 Zr5 124.3(4) . .
C71 C70 C69 107.9(5) . .
C71 C70 C75 126.3(5) . .
C69 C70 C75 125.4(5) . .
C71 C70 Zr5 72.5(3) . .
C69 C70 Zr5 74.6(3) . .
C75 C70 Zr5 124.1(4) . .
C70 C71 C72 108.2(5) . .
C70 C71 C76 125.4(6) . .
C72 C71 C76 126.3(6) . .
C70 C71 Zr5 75.1(3) . .
C72 C71 Zr5 74.2(3) . .
C76 C71 Zr5 120.3(4) . .
C73 C72 C71 107.9(5) . .
C73 C72 C77 125.0(6) . .
C71 C72 C77 126.9(5) . .
C73 C72 Zr5 75.3(3) . .
C71 C72 Zr5 73.2(3) . .
C77 C72 Zr5 121.6(4) . .
C72 C73 C69 108.0(4) . .
C72 C73 C78 125.9(5) . .
C69 C73 C78 125.7(5) . .
C72 C73 Zr5 72.5(3) . .
C69 C73 Zr5 74.0(3) . .
C78 C73 Zr5 124.8(4) . .
C69 C74 H74A 109.5 . .
C69 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C69 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C70 C75 H75A 109.5 . .
C70 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C70 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C71 C76 H76A 109.5 . .
C71 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C71 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C72 C77 H77A 109.5 . .
C72 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C72 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C73 C78 H78A 109.5 . .
C73 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C73 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
O11 C79 O12 123.3(4) . .
O11 C79 C80 118.8(4) . .
O12 C79 C80 117.9(4) . .
C81 C80 C85 118.8(5) . .
C81 C80 C79 121.4(5) . .
C85 C80 C79 119.8(5) . .
C80 C81 C82 120.1(6) . .
C80 C81 H81 120.0 . .
C82 C81 H81 120.0 . .
C83 C82 C81 120.2(6) . .
C83 C82 H82 119.9 . .
C81 C82 H82 119.9 . .
C84 C83 C82 120.3(6) . .
C84 C83 H83 119.9 . .
C82 C83 H83 119.9 . .
C83 C84 C85 121.2(6) . .
C83 C84 H84 119.4 . .
C85 C84 H84 119.4 . .
C84 C85 C80 119.5(6) . .
C84 C85 H85 120.3 . .
C80 C85 H85 120.3 . .
O14 C86 O13 125.3(4) . .
O14 C86 C87 117.6(4) . .
O13 C86 C87 117.1(4) . .
C92 C87 C88 118.9(5) . .
C92 C87 C86 121.5(5) . .
C88 C87 C86 119.7(5) . .
C87 C88 C89 119.7(6) . .
C87 C88 H88 120.1 . .
C89 C88 H88 120.1 . .
C90 C89 C88 120.6(7) . .
C90 C89 H89 119.7 . .
C88 C89 H89 119.7 . .
C89 C90 C91 120.2(6) . .
C89 C90 H90 119.9 . .
C91 C90 H90 119.9 . .
C90 C91 C92 120.6(7) . .
C90 C91 H91 119.7 . .
C92 C91 H91 119.7 . .
C87 C92 C91 120.0(6) . .
C87 C92 H92 120.0 . .
C91 C92 H92 120.0 . .
C97 C93 C94 108.1(6) . .
C97 C93 C98 126.5(7) . .
C94 C93 C98 125.2(7) . .
C97 C93 Zr6 75.2(3) . .
C94 C93 Zr6 74.5(3) . .
C98 C93 Zr6 120.9(4) . .
C93 C94 C95 107.5(6) . .
C93 C94 C99 127.5(7) . .
C95 C94 C99 124.8(7) . .
C93 C94 Zr6 73.1(3) . .
C95 C94 Zr6 75.3(3) . .
C99 C94 Zr6 121.7(4) . .
C96 C95 C94 107.4(6) . .
C96 C95 C100 127.0(7) . .
C94 C95 C100 125.2(7) . .
C96 C95 Zr6 75.1(4) . .
C94 C95 Zr6 72.3(3) . .
C100 C95 Zr6 123.7(5) . .
C95 C96 C97 108.7(6) . .
C95 C96 C101 125.5(7) . .
C97 C96 C101 125.2(7) . .
C95 C96 Zr6 73.5(3) . .
C97 C96 Zr6 72.4(3) . .
C101 C96 Zr6 126.8(4) . .
C96 C97 C93 108.2(6) . .
C96 C97 C102 123.5(7) . .
C93 C97 C102 127.8(7) . .
C96 C97 Zr6 76.0(3) . .
C93 C97 Zr6 72.7(3) . .
C102 C97 Zr6 123.5(4) . .
C93 C98 H98A 109.5 . .
C93 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C93 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C94 C99 H99A 109.5 . .
C94 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C94 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
C95 C100 H10D 109.5 . .
C95 C100 H10E 109.5 . .
H10D C100 H10E 109.5 . .
C95 C100 H10F 109.5 . .
H10D C100 H10F 109.5 . .
H10E C100 H10F 109.5 . .
C96 C101 H10G 109.5 . .
C96 C101 H10H 109.5 . .
H10G C101 H10H 109.5 . .
C96 C101 H10I 109.5 . .
H10G C101 H10I 109.5 . .
H10H C101 H10I 109.5 . .
C97 C102 H10J 109.5 . .
C97 C102 H10K 109.5 . .
H10J C102 H10K 109.5 . .
C97 C102 H10L 109.5 . .
H10J C102 H10L 109.5 . .
H10K C102 H10L 109.5 . .
C104 C103 C108 120.0 . .
C104 C103 H103 120.0 . .
C108 C103 H103 120.0 . .
C105 C104 C103 120.0 . .
C105 C104 H104 120.0 . .
C103 C104 H104 120.0 . .
C104 C105 C106 120.0 . .
C104 C105 H105 120.0 . .
C106 C105 H105 120.0 . .
C107 C106 C105 120.0 . .
C107 C106 H106 120.0 . .
C105 C106 H106 120.0 . .
C106 C107 C108 120.0 . .
C106 C107 H107 120.0 . .
C108 C107 H107 120.0 . .
C107 C108 C103 120.0 . .
C107 C108 H108 120.0 . .
C103 C108 H108 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 O2 2.202(4) .
Zr1 O1 2.238(4) .
Zr1 Cl2 2.4499(17) .
Zr1 Cl1 2.489(2) .
Zr1 C1 2.502(7) .
Zr1 C5 2.521(7) .
Zr1 C2 2.548(8) .
Zr1 C4 2.548(7) .
Zr1 C3 2.566(7) .
Zr1 Cl3 2.6019(16) .
Zr2 O1 2.093(4) .
Zr2 O6 2.109(4) .
Zr2 O4 2.114(3) .
Zr2 O3 2.179(4) .
Zr2 C18 2.497(5) .
Zr2 C19 2.503(5) .
Zr2 C22 2.528(6) .
Zr2 C20 2.546(5) .
Zr2 C21 2.565(6) .
Zr2 Cl3 2.6807(15) .
Zr3 O8 2.098(4) .
Zr3 O5 2.110(4) .
Zr3 O7 2.123(4) .
Zr3 O9 2.171(4) .
Zr3 C44 2.525(6) .
Zr3 C45 2.529(6) .
Zr3 C46 2.533(6) .
Zr3 C42 2.541(6) .
Zr3 C43 2.565(6) .
Zr3 Cl4 2.6864(16) .
Zr4 O10 2.225(5) .
Zr4 O8 2.256(4) .
Zr4 Cl5 2.4512(19) .
Zr4 Cl6 2.4653(18) .
Zr4 C62 2.521(7) .
Zr4 C63 2.524(7) .
Zr4 C59 2.546(7) .
Zr4 C61 2.566(7) .
Zr4 C60 2.604(8) .
Zr4 Cl4 2.6052(16) .
Zr5 O15 2.101(3) .
Zr5 O11 2.115(3) 3_655
Zr5 O12 2.134(3) .
Zr5 O13 2.183(3) .
Zr5 C71 2.507(5) .
Zr5 C72 2.521(5) .
Zr5 C70 2.539(5) .
Zr5 C73 2.555(5) .
Zr5 C69 2.557(5) .
Zr5 Cl7 2.6751(13) .
Zr6 O14 2.210(3) .
Zr6 O15 2.245(3) .
Zr6 Cl8 2.4594(16) .
Zr6 Cl9 2.4642(14) .
Zr6 C93 2.515(5) .
Zr6 C94 2.533(5) .
Zr6 C97 2.548(5) .
Zr6 C95 2.572(6) .
Zr6 C96 2.592(6) .
Zr6 Cl7 2.6022(14) .
O2 C11 1.249(7) .
O3 C11 1.270(7) .
O4 C28 1.257(6) .
O5 C28 1.254(6) .
O6 C35 1.256(6) .
O7 C35 1.260(6) .
O9 C52 1.267(7) .
O10 C52 1.266(8) .
O11 C79 1.259(5) .
O11 Zr5 2.115(3) 3_655
O12 C79 1.261(5) .
O13 C86 1.259(6) .
O14 C86 1.251(6) .
C1 C5 1.363(12) .
C1 C2 1.377(12) .
C1 C6 1.523(13) .
C2 C3 1.333(13) .
C2 C7 1.547(14) .
C3 C4 1.423(13) .
C3 C8 1.532(13) .
C4 C5 1.472(13) .
C4 C9 1.490(13) .
C5 C10 1.489(12) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.497(7) .
C12 C17 1.386(9) .
C12 C13 1.396(8) .
C13 C14 1.370(9) .
C13 H13 0.9300 .
C14 C15 1.359(12) .
C14 H14 0.9300 .
C15 C16 1.369(11) .
C15 H15 0.9300 .
C16 C17 1.381(9) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.408(8) .
C18 C22 1.411(8) .
C18 C23 1.512(8) .
C19 C20 1.396(8) .
C19 C24 1.494(9) .
C20 C21 1.412(8) .
C20 C25 1.506(8) .
C21 C22 1.430(8) .
C21 C26 1.485(8) .
C22 C27 1.506(9) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.487(7) .
C29 C30 1.374(8) .
C29 C34 1.381(8) .
C30 C31 1.400(9) .
C30 H30 0.9300 .
C31 C32 1.373(10) .
C31 H31 0.9300 .
C32 C33 1.363(11) .
C32 H32 0.9300 .
C33 C34 1.368(9) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.487(7) .
C36 C41 1.380(8) .
C36 C37 1.386(9) .
C37 C38 1.387(10) .
C37 H37 0.9300 .
C38 C39 1.372(13) .
C38 H38 0.9300 .
C39 C40 1.363(12) .
C39 H39 0.9300 .
C40 C41 1.383(10) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 C46 1.396(10) .
C42 C43 1.426(10) .
C42 C47 1.513(9) .
C43 C44 1.406(9) .
C43 C48 1.493(11) .
C44 C45 1.409(11) .
C44 C49 1.519(11) .
C45 C46 1.413(11) .
C45 C50 1.503(10) .
C46 C51 1.542(12) .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 C53 1.506(9) .
C53 C54 1.374(10) .
C53 C58 1.394(11) .
C54 C55 1.417(12) .
C54 H54 0.9300 .
C55 C56 1.356(15) .
C55 H55 0.9300 .
C56 C57 1.357(14) .
C56 H56 0.9300 .
C57 C58 1.373(11) .
C57 H57 0.9300 .
C58 H58 0.9300 .
C59 C60 1.399(10) .
C59 C63 1.430(11) .
C59 C64 1.493(10) .
C60 C61 1.433(10) .
C60 C65 1.487(11) .
C61 C62 1.400(10) .
C61 C66 1.495(10) .
C62 C63 1.422(10) .
C62 C67 1.490(10) .
C63 C68 1.504(10) .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C69 C70 1.410(7) .
C69 C73 1.413(7) .
C69 C74 1.499(7) .
C70 C71 1.408(8) .
C70 C75 1.488(8) .
C71 C72 1.412(8) .
C71 C76 1.508(7) .
C72 C73 1.409(7) .
C72 C77 1.502(8) .
C73 C78 1.502(7) .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 H75A 0.9600 .
C75 H75B 0.9600 .
C75 H75C 0.9600 .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C79 C80 1.478(6) .
C80 C81 1.370(8) .
C80 C85 1.386(8) .
C81 C82 1.386(8) .
C81 H81 0.9300 .
C82 C83 1.356(10) .
C82 H82 0.9300 .
C83 C84 1.333(10) .
C83 H83 0.9300 .
C84 C85 1.383(9) .
C84 H84 0.9300 .
C85 H85 0.9300 .
C86 C87 1.506(7) .
C87 C92 1.377(8) .
C87 C88 1.382(8) .
C88 C89 1.388(8) .
C88 H88 0.9300 .
C89 C90 1.347(10) .
C89 H89 0.9300 .
C90 C91 1.354(10) .
C90 H90 0.9300 .
C91 C92 1.381(8) .
C91 H91 0.9300 .
C92 H92 0.9300 .
C93 C97 1.400(9) .
C93 C94 1.409(9) .
C93 C98 1.504(9) .
C94 C95 1.426(9) .
C94 C99 1.498(9) .
C95 C96 1.398(10) .
C95 C100 1.510(10) .
C96 C97 1.400(9) .
C96 C101 1.517(9) .
C97 C102 1.491(10) .
C98 H98A 0.9600 .
C98 H98B 0.9600 .
C98 H98C 0.9600 .
C99 H99A 0.9600 .
C99 H99B 0.9600 .
C99 H99C 0.9600 .
C100 H10D 0.9600 .
C100 H10E 0.9600 .
C100 H10F 0.9600 .
C101 H10G 0.9600 .
C101 H10H 0.9600 .
C101 H10I 0.9600 .
C102 H10J 0.9600 .
C102 H10K 0.9600 .
C102 H10L 0.9600 .
C103 C104 1.3900 .
C103 C108 1.3900 .
C103 H103 0.9300 .
C104 C105 1.3900 .
C104 H104 0.9300 .
C105 C106 1.3900 .
C105 H105 0.9300 .
C106 C107 1.3900 .
C106 H106 0.9300 .
C107 C108 1.3900 .
C107 H107 0.9300 .
C108 H108 0.9300 .
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
O2 Zr1 Cl3 Zr2 -68.08(12) .
O1 Zr1 Cl3 Zr2 11.34(10) .
Cl2 Zr1 Cl3 Zr2 90.69(6) .
Cl1 Zr1 Cl3 Zr2 -6.27(13) .
C1 Zr1 Cl3 Zr2 -139.7(2) .
C5 Zr1 Cl3 Zr2 -143.5(2) .
C2 Zr1 Cl3 Zr2 -175.9(3) .
C4 Zr1 Cl3 Zr2 -176.4(3) .
C3 Zr1 Cl3 Zr2 165.2(2) .
O1 Zr2 Cl3 Zr1 -12.11(11) .
O6 Zr2 Cl3 Zr1 166.76(11) .
O4 Zr2 Cl3 Zr1 -104.00(11) .
O3 Zr2 Cl3 Zr1 77.10(11) .
C18 Zr2 Cl3 Zr1 32.0(3) .
C19 Zr2 Cl3 Zr1 95.8(3) .
C22 Zr2 Cl3 Zr1 -30.9(3) .
C20 Zr2 Cl3 Zr1 170.1(3) .
C21 Zr2 Cl3 Zr1 -104.3(3) .
O10 Zr4 Cl4 Zr3 69.73(12) .
O8 Zr4 Cl4 Zr3 -10.61(12) .
Cl5 Zr4 Cl4 Zr3 -89.68(6) .
Cl6 Zr4 Cl4 Zr3 8.85(14) .
C62 Zr4 Cl4 Zr3 139.7(2) .
C63 Zr4 Cl4 Zr3 146.0(2) .
C59 Zr4 Cl4 Zr3 178.3(2) .
C61 Zr4 Cl4 Zr3 175.4(2) .
C60 Zr4 Cl4 Zr3 -163.79(18) .
O8 Zr3 Cl4 Zr4 11.37(13) .
O5 Zr3 Cl4 Zr4 -165.64(11) .
O7 Zr3 Cl4 Zr4 103.28(12) .
O9 Zr3 Cl4 Zr4 -77.08(13) .
C44 Zr3 Cl4 Zr4 -94.3(4) .
C45 Zr3 Cl4 Zr4 -30.8(4) .
C46 Zr3 Cl4 Zr4 34.6(4) .
C42 Zr3 Cl4 Zr4 110.3(5) .
C43 Zr3 Cl4 Zr4 -165.6(3) .
O14 Zr6 Cl7 Zr5 67.56(10) .
O15 Zr6 Cl7 Zr5 -11.60(9) .
Cl8 Zr6 Cl7 Zr5 4.78(12) .
Cl9 Zr6 Cl7 Zr5 -90.36(5) .
C93 Zr6 Cl7 Zr5 146.12(15) .
C94 Zr6 Cl7 Zr5 138.26(15) .
C97 Zr6 Cl7 Zr5 178.34(15) .
C95 Zr6 Cl7 Zr5 172.0(2) .
C96 Zr6 Cl7 Zr5 -165.91(15) .
O15 Zr5 Cl7 Zr6 12.36(10) .
O11 Zr5 Cl7 Zr6 -165.07(10) 3_655
O12 Zr5 Cl7 Zr6 104.39(10) .
O13 Zr5 Cl7 Zr6 -75.33(10) .
C71 Zr5 Cl7 Zr6 -24.6(3) .
C72 Zr5 Cl7 Zr6 39.7(3) .
C70 Zr5 Cl7 Zr6 -89.7(3) .
C73 Zr5 Cl7 Zr6 111.7(3) .
C69 Zr5 Cl7 Zr6 -165.0(3) .
O6 Zr2 O1 Zr1 14.1(4) .
O4 Zr2 O1 Zr1 97.2(2) .
O3 Zr2 O1 Zr1 -60.3(2) .
C18 Zr2 O1 Zr1 -140.4(2) .
C19 Zr2 O1 Zr1 -132.1(2) .
C22 Zr2 O1 Zr1 -173.2(2) .
C20 Zr2 O1 Zr1 -164.7(2) .
C21 Zr2 O1 Zr1 171.01(19) .
Cl3 Zr2 O1 Zr1 16.49(14) .
O2 Zr1 O1 Zr2 66.5(2) .
Cl2 Zr1 O1 Zr2 -108.82(19) .
Cl1 Zr1 O1 Zr2 153.1(2) .
C1 Zr1 O1 Zr2 102.7(5) .
C5 Zr1 O1 Zr2 37.5(6) .
C2 Zr1 O1 Zr2 175.5(6) .
C4 Zr1 O1 Zr2 -33.2(7) .
C3 Zr1 O1 Zr2 -109.1(7) .
Cl3 Zr1 O1 Zr2 -17.05(15) .
O1 Zr1 O2 C11 -36.7(6) .
Cl2 Zr1 O2 C11 -25.3(8) .
Cl1 Zr1 O2 C11 -113.7(6) .
C1 Zr1 O2 C11 160.1(7) .
C5 Zr1 O2 C11 128.1(7) .
C2 Zr1 O2 C11 168.9(6) .
C4 Zr1 O2 C11 113.8(6) .
C3 Zr1 O2 C11 140.9(7) .
Cl3 Zr1 O2 C11 37.2(6) .
O1 Zr2 O3 C11 9.5(5) .
O6 Zr2 O3 C11 -143.7(5) .
O4 Zr2 O3 C11 -66.6(7) .
C18 Zr2 O3 C11 92.4(5) .
C19 Zr2 O3 C11 125.7(5) .
C22 Zr2 O3 C11 84.6(5) .
C20 Zr2 O3 C11 140.5(5) .
C21 Zr2 O3 C11 116.9(5) .
Cl3 Zr2 O3 C11 -63.8(5) .
O1 Zr2 O4 C28 -123.3(11) .
O6 Zr2 O4 C28 29.0(11) .
O3 Zr2 O4 C28 -48.0(12) .
C18 Zr2 O4 C28 156.5(10) .
C19 Zr2 O4 C28 117.0(10) .
C22 Zr2 O4 C28 158.7(11) .
C20 Zr2 O4 C28 105.6(11) .
C21 Zr2 O4 C28 129.2(11) .
Cl3 Zr2 O4 C28 -50.7(10) .
O8 Zr3 O5 C28 -36.0(12) .
O7 Zr3 O5 C28 51.2(11) .
O9 Zr3 O5 C28 -106.3(11) .
C44 Zr3 O5 C28 179.0(11) .
C45 Zr3 O5 C28 177.4(11) .
C46 Zr3 O5 C28 137.9(11) .
C42 Zr3 O5 C28 125.8(11) .
C43 Zr3 O5 C28 150.0(11) .
Cl4 Zr3 O5 C28 -30.0(11) .
O1 Zr2 O6 C35 58.5(19) .
O4 Zr2 O6 C35 -24.9(18) .
O3 Zr2 O6 C35 132.5(18) .
C18 Zr2 O6 C35 -151.8(17) .
C19 Zr2 O6 C35 -152.0(18) .
C22 Zr2 O6 C35 -112.1(18) .
C20 Zr2 O6 C35 -122.4(18) .
C21 Zr2 O6 C35 -99.1(18) .
Cl3 Zr2 O6 C35 56.2(18) .
O8 Zr3 O7 C35 141.0(11) .
O5 Zr3 O7 C35 -10.6(11) .
O9 Zr3 O7 C35 67.2(13) .
C44 Zr3 O7 C35 -100.6(11) .
C45 Zr3 O7 C35 -138.9(11) .
C46 Zr3 O7 C35 -138.5(11) .
C42 Zr3 O7 C35 -108.9(12) .
C43 Zr3 O7 C35 -86.4(11) .
Cl4 Zr3 O7 C35 68.1(11) .
O5 Zr3 O8 Zr4 -9.2(5) .
O7 Zr3 O8 Zr4 -96.4(2) .
O9 Zr3 O8 Zr4 61.5(2) .
C44 Zr3 O8 Zr4 132.4(2) .
C45 Zr3 O8 Zr4 143.0(3) .
C46 Zr3 O8 Zr4 175.8(3) .
C42 Zr3 O8 Zr4 -170.0(2) .
C43 Zr3 O8 Zr4 162.9(2) .
Cl4 Zr3 O8 Zr4 -15.33(16) .
O10 Zr4 O8 Zr3 -66.2(2) .
Cl5 Zr4 O8 Zr3 108.0(2) .
Cl6 Zr4 O8 Zr3 -153.4(2) .
C62 Zr4 O8 Zr3 -101.5(4) .
C63 Zr4 O8 Zr3 -33.8(5) .
C59 Zr4 O8 Zr3 34.0(6) .
C61 Zr4 O8 Zr3 -174.5(4) .
C60 Zr4 O8 Zr3 105.7(5) .
Cl4 Zr4 O8 Zr3 15.87(17) .
O8 Zr3 O9 C52 -15.9(6) .
O5 Zr3 O9 C52 137.3(6) .
O7 Zr3 O9 C52 58.8(8) .
C44 Zr3 O9 C52 -131.1(6) .
C45 Zr3 O9 C52 -98.6(6) .
C46 Zr3 O9 C52 -93.1(6) .
C42 Zr3 O9 C52 -126.0(6) .
C43 Zr3 O9 C52 -147.9(6) .
Cl4 Zr3 O9 C52 57.9(6) .
O8 Zr4 O10 C52 37.4(6) .
Cl5 Zr4 O10 C52 23.3(8) .
Cl6 Zr4 O10 C52 114.8(6) .
C62 Zr4 O10 C52 -159.4(7) .
C63 Zr4 O10 C52 -125.9(7) .
C59 Zr4 O10 C52 -112.6(6) .
C61 Zr4 O10 C52 -168.2(6) .
C60 Zr4 O10 C52 -138.1(6) .
Cl4 Zr4 O10 C52 -36.8(6) .
O15 Zr5 O12 C79 139.2(7) .
O11 Zr5 O12 C79 -11.8(7) 3_655
O13 Zr5 O12 C79 68.0(8) .
C71 Zr5 O12 C79 -141.5(7) .
C72 Zr5 O12 C79 -140.3(7) .
C70 Zr5 O12 C79 -104.1(7) .
C73 Zr5 O12 C79 -109.5(7) .
C69 Zr5 O12 C79 -88.3(7) .
Cl7 Zr5 O12 C79 67.3(7) .
O15 Zr5 O13 C86 -11.4(5) .
O11 Zr5 O13 C86 140.9(5) 3_655
O12 Zr5 O13 C86 60.8(6) .
C71 Zr5 O13 C86 -93.3(5) .
C72 Zr5 O13 C86 -88.0(5) .
C70 Zr5 O13 C86 -125.6(5) .
C73 Zr5 O13 C86 -122.2(5) .
C69 Zr5 O13 C86 -143.1(5) .
Cl7 Zr5 O13 C86 61.6(5) .
O15 Zr6 O14 C86 36.3(5) .
Cl8 Zr6 O14 C86 116.4(6) .
Cl9 Zr6 O14 C86 30.8(7) .
C93 Zr6 O14 C86 -121.7(6) .
C94 Zr6 O14 C86 -155.0(6) .
C97 Zr6 O14 C86 -111.4(6) .
C95 Zr6 O14 C86 -166.9(5) .
C96 Zr6 O14 C86 -139.8(5) .
Cl7 Zr6 O14 C86 -36.8(5) .
O11 Zr5 O15 Zr6 -11.7(4) 3_655
O12 Zr5 O15 Zr6 -96.87(18) .
O13 Zr5 O15 Zr6 61.12(18) .
C71 Zr5 O15 Zr6 143.8(2) .
C72 Zr5 O15 Zr6 176.9(2) .
C70 Zr5 O15 Zr6 132.23(19) .
C73 Zr5 O15 Zr6 -170.45(17) .
C69 Zr5 O15 Zr6 161.68(18) .
Cl7 Zr5 O15 Zr6 -16.87(13) .
O14 Zr6 O15 Zr5 -66.91(18) .
Cl8 Zr6 O15 Zr5 -154.27(18) .
Cl9 Zr6 O15 Zr5 110.82(17) .
C93 Zr6 O15 Zr5 -25.5(4) .
C94 Zr6 O15 Zr5 -90.2(4) .
C97 Zr6 O15 Zr5 36.3(4) .
C95 Zr6 O15 Zr5 -169.7(4) .
C96 Zr6 O15 Zr5 105.6(5) .
Cl7 Zr6 O15 Zr5 17.41(14) .
O2 Zr1 C1 C5 -79.2(5) .
O1 Zr1 C1 C5 -115.0(6) .
Cl2 Zr1 C1 C5 103.5(5) .
Cl1 Zr1 C1 C5 -163.7(5) .
C2 Zr1 C1 C5 116.7(9) .
C4 Zr1 C1 C5 40.3(5) .
C3 Zr1 C1 C5 81.4(6) .
Cl3 Zr1 C1 C5 -7.2(6) .
O2 Zr1 C1 C2 164.1(7) .
O1 Zr1 C1 C2 128.3(6) .
Cl2 Zr1 C1 C2 -13.1(7) .
Cl1 Zr1 C1 C2 79.7(6) .
C5 Zr1 C1 C2 -116.7(9) .
C4 Zr1 C1 C2 -76.4(7) .
C3 Zr1 C1 C2 -35.3(6) .
Cl3 Zr1 C1 C2 -123.9(6) .
O2 Zr1 C1 C6 42.6(9) .
O1 Zr1 C1 C6 6.8(13) .
Cl2 Zr1 C1 C6 -134.7(9) .
Cl1 Zr1 C1 C6 -41.9(9) .
C5 Zr1 C1 C6 121.8(12) .
C2 Zr1 C1 C6 -121.6(13) .
C4 Zr1 C1 C6 162.1(11) .
C3 Zr1 C1 C6 -156.8(11) .
Cl3 Zr1 C1 C6 114.6(9) .
C5 C1 C2 C3 -0.4(10) .
C6 C1 C2 C3 -175.4(8) .
Zr1 C1 C2 C3 67.3(6) .
C5 C1 C2 C7 175.9(8) .
C6 C1 C2 C7 0.9(14) .
Zr1 C1 C2 C7 -116.5(9) .
C5 C1 C2 Zr1 -67.6(6) .
C6 C1 C2 Zr1 117.3(8) .
O2 Zr1 C2 C3 -132.5(6) .
O1 Zr1 C2 C3 125.9(6) .
Cl2 Zr1 C2 C3 53.3(6) .
Cl1 Zr1 C2 C3 147.9(6) .
C1 Zr1 C2 C3 -115.9(9) .
C5 Zr1 C2 C3 -80.1(6) .
C4 Zr1 C2 C3 -37.2(6) .
Cl3 Zr1 C2 C3 -37.8(7) .
O2 Zr1 C2 C1 -16.6(7) .
O1 Zr1 C2 C1 -118.2(7) .
Cl2 Zr1 C2 C1 169.2(6) .
Cl1 Zr1 C2 C1 -96.2(6) .
C5 Zr1 C2 C1 35.8(6) .
C4 Zr1 C2 C1 78.7(7) .
C3 Zr1 C2 C1 115.9(9) .
Cl3 Zr1 C2 C1 78.1(7) .
O2 Zr1 C2 C7 107.2(10) .
O1 Zr1 C2 C7 5.6(15) .
Cl2 Zr1 C2 C7 -67.0(10) .
Cl1 Zr1 C2 C7 27.6(10) .
C1 Zr1 C2 C7 123.8(13) .
C5 Zr1 C2 C7 159.6(12) .
C4 Zr1 C2 C7 -157.5(12) .
C3 Zr1 C2 C7 -120.3(13) .
Cl3 Zr1 C2 C7 -158.1(9) .
C1 C2 C3 C4 0.1(9) .
C7 C2 C3 C4 -176.3(8) .
Zr1 C2 C3 C4 65.3(5) .
C1 C2 C3 C8 171.2(8) .
C7 C2 C3 C8 -5.3(13) .
Zr1 C2 C3 C8 -123.7(8) .
C1 C2 C3 Zr1 -65.1(6) .
C7 C2 C3 Zr1 118.4(8) .
O2 Zr1 C3 C2 61.4(7) .
O1 Zr1 C3 C2 -124.1(7) .
Cl2 Zr1 C3 C2 -124.4(6) .
Cl1 Zr1 C3 C2 -33.1(6) .
C1 Zr1 C3 C2 37.0(6) .
C5 Zr1 C3 C2 76.8(6) .
C4 Zr1 C3 C2 116.3(8) .
Cl3 Zr1 C3 C2 151.8(6) .
O2 Zr1 C3 C4 -54.9(7) .
O1 Zr1 C3 C4 119.6(6) .
Cl2 Zr1 C3 C4 119.3(6) .
Cl1 Zr1 C3 C4 -149.4(5) .
C1 Zr1 C3 C4 -79.3(6) .
C5 Zr1 C3 C4 -39.6(5) .
C2 Zr1 C3 C4 -116.3(8) .
Cl3 Zr1 C3 C4 35.5(6) .
O2 Zr1 C3 C8 -176.5(11) .
O1 Zr1 C3 C8 -1.9(16) .
Cl2 Zr1 C3 C8 -2.2(12) .
Cl1 Zr1 C3 C8 89.1(12) .
C1 Zr1 C3 C8 159.1(14) .
C5 Zr1 C3 C8 -161.1(14) .
C2 Zr1 C3 C8 122.1(15) .
C4 Zr1 C3 C8 -121.6(15) .
Cl3 Zr1 C3 C8 -86.1(12) .
C2 C3 C4 C5 0.1(8) .
C8 C3 C4 C5 -170.9(8) .
Zr1 C3 C4 C5 66.0(5) .
C2 C3 C4 C9 173.7(8) .
C8 C3 C4 C9 2.7(13) .
Zr1 C3 C4 C9 -120.3(9) .
C2 C3 C4 Zr1 -65.9(6) .
C8 C3 C4 Zr1 123.1(8) .
O2 Zr1 C4 C3 137.7(6) .
O1 Zr1 C4 C3 -130.1(5) .
Cl2 Zr1 C4 C3 -57.7(6) .
Cl1 Zr1 C4 C3 41.6(7) .
C1 Zr1 C4 C3 74.8(6) .
C5 Zr1 C4 C3 112.3(7) .
C2 Zr1 C4 C3 34.7(5) .
Cl3 Zr1 C4 C3 -145.7(6) .
O2 Zr1 C4 C5 25.5(6) .
O1 Zr1 C4 C5 117.6(5) .
Cl2 Zr1 C4 C5 -170.0(5) .
Cl1 Zr1 C4 C5 -70.7(7) .
C1 Zr1 C4 C5 -37.4(4) .
C2 Zr1 C4 C5 -77.5(5) .
C3 Zr1 C4 C5 -112.3(7) .
Cl3 Zr1 C4 C5 102.0(5) .
O2 Zr1 C4 C9 -95.0(13) .
O1 Zr1 C4 C9 -2.9(17) .
Cl2 Zr1 C4 C9 69.5(13) .
Cl1 Zr1 C4 C9 168.8(12) .
C1 Zr1 C4 C9 -157.9(15) .
C5 Zr1 C4 C9 -120.5(15) .
C2 Zr1 C4 C9 162.0(15) .
C3 Zr1 C4 C9 127.2(16) .
Cl3 Zr1 C4 C9 -18.5(13) .
C2 C1 C5 C4 0.4(9) .
C6 C1 C5 C4 175.4(7) .
Zr1 C1 C5 C4 -67.9(5) .
C2 C1 C5 C10 -175.1(8) .
C6 C1 C5 C10 -0.2(13) .
Zr1 C1 C5 C10 116.6(8) .
C2 C1 C5 Zr1 68.3(6) .
C6 C1 C5 Zr1 -116.8(8) .
C3 C4 C5 C1 -0.3(8) .
C9 C4 C5 C1 -174.3(8) .
Zr1 C4 C5 C1 67.4(5) .
C3 C4 C5 C10 175.2(8) .
C9 C4 C5 C10 1.2(13) .
Zr1 C4 C5 C10 -117.1(8) .
C3 C4 C5 Zr1 -67.7(5) .
C9 C4 C5 Zr1 118.3(8) .
O2 Zr1 C5 C1 93.6(6) .
O1 Zr1 C5 C1 122.8(5) .
Cl2 Zr1 C5 C1 -99.3(6) .
Cl1 Zr1 C5 C1 18.0(6) .
C2 Zr1 C5 C1 -36.0(5) .
C4 Zr1 C5 C1 -111.7(7) .
C3 Zr1 C5 C1 -73.9(6) .
Cl3 Zr1 C5 C1 173.7(5) .
O2 Zr1 C5 C4 -154.7(6) .
O1 Zr1 C5 C4 -125.5(5) .
Cl2 Zr1 C5 C4 12.3(6) .
Cl1 Zr1 C5 C4 129.7(5) .
C1 Zr1 C5 C4 111.7(7) .
C2 Zr1 C5 C4 75.7(6) .
C3 Zr1 C5 C4 37.8(5) .
Cl3 Zr1 C5 C4 -74.6(5) .
O2 Zr1 C5 C10 -30.2(10) .
O1 Zr1 C5 C10 -1.0(14) .
Cl2 Zr1 C5 C10 136.9(10) .
Cl1 Zr1 C5 C10 -105.7(10) .
C1 Zr1 C5 C10 -123.8(13) .
C2 Zr1 C5 C10 -159.8(12) .
C4 Zr1 C5 C10 124.6(13) .
C3 Zr1 C5 C10 162.3(12) .
Cl3 Zr1 C5 C10 49.9(10) .
Zr1 O2 C11 O3 -1.1(10) .
Zr1 O2 C11 C12 178.4(4) .
Zr2 O3 C11 O2 21.0(9) .
Zr2 O3 C11 C12 -158.4(4) .
O2 C11 C12 C17 157.9(6) .
O3 C11 C12 C17 -22.6(8) .
O2 C11 C12 C13 -23.6(8) .
O3 C11 C12 C13 155.8(6) .
C17 C12 C13 C14 0.1(10) .
C11 C12 C13 C14 -178.4(7) .
C12 C13 C14 C15 -0.8(12) .
C13 C14 C15 C16 0.0(13) .
C14 C15 C16 C17 1.5(12) .
C15 C16 C17 C12 -2.1(11) .
C13 C12 C17 C16 1.3(10) .
C11 C12 C17 C16 179.8(6) .
O1 Zr2 C18 C19 165.8(4) .
O6 Zr2 C18 C19 -0.4(4) .
O4 Zr2 C18 C19 -110.2(4) .
O3 Zr2 C18 C19 79.4(4) .
C22 Zr2 C18 C19 -114.3(5) .
C20 Zr2 C18 C19 -36.9(3) .
C21 Zr2 C18 C19 -77.0(4) .
Cl3 Zr2 C18 C19 123.7(3) .
O1 Zr2 C18 C22 -79.9(4) .
O6 Zr2 C18 C22 113.9(4) .
O4 Zr2 C18 C22 4.1(4) .
O3 Zr2 C18 C22 -166.3(4) .
C19 Zr2 C18 C22 114.3(5) .
C20 Zr2 C18 C22 77.4(4) .
C21 Zr2 C18 C22 37.3(3) .
Cl3 Zr2 C18 C22 -122.0(3) .
O1 Zr2 C18 C23 43.4(5) .
O6 Zr2 C18 C23 -122.8(5) .
O4 Zr2 C18 C23 127.4(5) .
O3 Zr2 C18 C23 -43.0(5) .
C19 Zr2 C18 C23 -122.4(7) .
C22 Zr2 C18 C23 123.3(7) .
C20 Zr2 C18 C23 -159.3(6) .
C21 Zr2 C18 C23 160.6(6) .
Cl3 Zr2 C18 C23 1.3(7) .
C22 C18 C19 C20 0.5(7) .
C23 C18 C19 C20 -175.2(6) .
Zr2 C18 C19 C20 68.2(4) .
C22 C18 C19 C24 174.1(6) .
C23 C18 C19 C24 -1.5(10) .
Zr2 C18 C19 C24 -118.1(6) .
C22 C18 C19 Zr2 -67.8(4) .
C23 C18 C19 Zr2 116.6(6) .
O1 Zr2 C19 C20 -129.9(3) .
O6 Zr2 C19 C20 65.2(4) .
O4 Zr2 C19 C20 -21.7(4) .
O3 Zr2 C19 C20 152.3(4) .
C18 Zr2 C19 C20 -114.5(5) .
C22 Zr2 C19 C20 -77.1(4) .
C21 Zr2 C19 C20 -36.4(3) .
Cl3 Zr2 C19 C20 133.5(3) .
O1 Zr2 C19 C18 -15.4(4) .
O6 Zr2 C19 C18 179.7(4) .
O4 Zr2 C19 C18 92.8(4) .
O3 Zr2 C19 C18 -93.2(4) .
C22 Zr2 C19 C18 37.4(3) .
C20 Zr2 C19 C18 114.5(5) .
C21 Zr2 C19 C18 78.1(4) .
Cl3 Zr2 C19 C18 -112.0(4) .
O1 Zr2 C19 C24 107.6(5) .
O6 Zr2 C19 C24 -57.3(5) .
O4 Zr2 C19 C24 -144.2(5) .
O3 Zr2 C19 C24 29.8(5) .
C18 Zr2 C19 C24 123.0(7) .
C22 Zr2 C19 C24 160.4(6) .
C20 Zr2 C19 C24 -122.5(7) .
C21 Zr2 C19 C24 -158.9(6) .
Cl3 Zr2 C19 C24 11.0(7) .
C18 C19 C20 C21 -0.4(7) .
C24 C19 C20 C21 -174.2(6) .
Zr2 C19 C20 C21 66.3(4) .
C18 C19 C20 C25 172.5(6) .
C24 C19 C20 C25 -1.3(10) .
Zr2 C19 C20 C25 -120.8(6) .
C18 C19 C20 Zr2 -66.7(4) .
C24 C19 C20 Zr2 119.5(6) .
O1 Zr2 C20 C19 68.1(4) .
O6 Zr2 C20 C19 -111.3(4) .
O4 Zr2 C20 C19 162.7(4) .
O3 Zr2 C20 C19 -27.7(4) .
C18 Zr2 C20 C19 37.7(4) .
C22 Zr2 C20 C19 78.5(4) .
C21 Zr2 C20 C19 116.1(5) .
Cl3 Zr2 C20 C19 -114.7(4) .
O1 Zr2 C20 C21 -48.0(4) .
O6 Zr2 C20 C21 132.6(3) .
O4 Zr2 C20 C21 46.7(3) .
O3 Zr2 C20 C21 -143.7(3) .
C18 Zr2 C20 C21 -78.4(4) .
C19 Zr2 C20 C21 -116.1(5) .
C22 Zr2 C20 C21 -37.5(3) .
Cl3 Zr2 C20 C21 129.2(4) .
O1 Zr2 C20 C25 -170.4(5) .
O6 Zr2 C20 C25 10.2(5) .
O4 Zr2 C20 C25 -75.7(5) .
O3 Zr2 C20 C25 93.9(5) .
C18 Zr2 C20 C25 159.2(6) .
C19 Zr2 C20 C25 121.5(7) .
C22 Zr2 C20 C25 -159.9(6) .
C21 Zr2 C20 C25 -122.4(7) .
Cl3 Zr2 C20 C25 6.8(8) .
C19 C20 C21 C22 0.2(6) .
C25 C20 C21 C22 -172.8(6) .
Zr2 C20 C21 C22 64.9(4) .
C19 C20 C21 C26 172.4(6) .
C25 C20 C21 C26 -0.5(10) .
Zr2 C20 C21 C26 -122.9(6) .
C19 C20 C21 Zr2 -64.7(4) .
C25 C20 C21 Zr2 122.4(6) .
O1 Zr2 C21 C20 144.1(3) .
O6 Zr2 C21 C20 -46.6(3) .
O4 Zr2 C21 C20 -131.5(4) .
O3 Zr2 C21 C20 47.1(4) .
C18 Zr2 C21 C20 77.3(4) .
C19 Zr2 C21 C20 36.4(3) .
C22 Zr2 C21 C20 114.6(5) .
Cl3 Zr2 C21 C20 -131.3(3) .
O1 Zr2 C21 C22 29.5(4) .
O6 Zr2 C21 C22 -161.2(3) .
O4 Zr2 C21 C22 113.9(4) .
O3 Zr2 C21 C22 -67.5(4) .
C18 Zr2 C21 C22 -37.3(3) .
C19 Zr2 C21 C22 -78.2(4) .
C20 Zr2 C21 C22 -114.6(5) .
Cl3 Zr2 C21 C22 114.1(4) .
O1 Zr2 C21 C26 -92.7(6) .
O6 Zr2 C21 C26 76.6(6) .
O4 Zr2 C21 C26 -8.4(5) .
O3 Zr2 C21 C26 170.2(5) .
C18 Zr2 C21 C26 -159.6(7) .
C19 Zr2 C21 C26 159.6(6) .
C22 Zr2 C21 C26 -122.2(7) .
C20 Zr2 C21 C26 123.2(7) .
Cl3 Zr2 C21 C26 -8.1(8) .
C19 C18 C22 C21 -0.4(6) .
C23 C18 C22 C21 175.3(6) .
Zr2 C18 C22 C21 -67.4(4) .
C19 C18 C22 C27 -173.6(6) .
C23 C18 C22 C27 2.0(10) .
Zr2 C18 C22 C27 119.3(6) .
C19 C18 C22 Zr2 67.1(4) .
C23 C18 C22 Zr2 -117.3(6) .
C20 C21 C22 C18 0.1(6) .
C26 C21 C22 C18 -172.1(6) .
Zr2 C21 C22 C18 65.6(4) .
C20 C21 C22 C27 173.6(6) .
C26 C21 C22 C27 1.3(10) .
Zr2 C21 C22 C27 -120.9(6) .
C20 C21 C22 Zr2 -65.5(4) .
C26 C21 C22 Zr2 122.3(6) .
O1 Zr2 C22 C18 94.3(4) .
O6 Zr2 C22 C18 -90.1(4) .
O4 Zr2 C22 C18 -176.5(4) .
O3 Zr2 C22 C18 14.4(4) .
C19 Zr2 C22 C18 -37.6(3) .
C20 Zr2 C22 C18 -77.6(4) .
C21 Zr2 C22 C18 -114.6(5) .
Cl3 Zr2 C22 C18 112.7(4) .
O1 Zr2 C22 C21 -151.1(4) .
O6 Zr2 C22 C21 24.4(4) .
O4 Zr2 C22 C21 -62.0(3) .
O3 Zr2 C22 C21 129.0(3) .
C18 Zr2 C22 C21 114.6(5) .
C19 Zr2 C22 C21 77.0(4) .
C20 Zr2 C22 C21 36.9(3) .
Cl3 Zr2 C22 C21 -132.8(3) .
O1 Zr2 C22 C27 -29.0(6) .
O6 Zr2 C22 C27 146.6(5) .
O4 Zr2 C22 C27 60.2(6) .
O3 Zr2 C22 C27 -108.8(6) .
C18 Zr2 C22 C27 -123.3(7) .
C19 Zr2 C22 C27 -160.8(7) .
C20 Zr2 C22 C27 159.1(7) .
C21 Zr2 C22 C27 122.2(7) .
Cl3 Zr2 C22 C27 -10.6(8) .
Zr3 O5 C28 O4 -49.5(13) .
Zr3 O5 C28 C29 130.6(9) .
Zr2 O4 C28 O5 -19.3(14) .
Zr2 O4 C28 C29 160.6(8) .
O5 C28 C29 C30 164.7(5) .
O4 C28 C29 C30 -15.2(8) .
O5 C28 C29 C34 -17.4(8) .
O4 C28 C29 C34 162.7(5) .
C34 C29 C30 C31 1.9(9) .
C28 C29 C30 C31 179.8(6) .
C29 C30 C31 C32 -3.1(11) .
C30 C31 C32 C33 1.7(12) .
C31 C32 C33 C34 1.0(13) .
C32 C33 C34 C29 -2.3(12) .
C30 C29 C34 C33 0.8(10) .
C28 C29 C34 C33 -177.1(6) .
Zr2 O6 C35 O7 22(2) .
Zr2 O6 C35 C36 -157.6(15) .
Zr3 O7 C35 O6 2.6(15) .
Zr3 O7 C35 C36 -178.3(8) .
O6 C35 C36 C41 14.8(9) .
O7 C35 C36 C41 -164.4(6) .
O6 C35 C36 C37 -165.6(7) .
O7 C35 C36 C37 15.2(10) .
C41 C36 C37 C38 -0.6(13) .
C35 C36 C37 C38 179.8(8) .
C36 C37 C38 C39 1.0(17) .
C37 C38 C39 C40 -1.2(19) .
C38 C39 C40 C41 1.0(18) .
C37 C36 C41 C40 0.4(12) .
C35 C36 C41 C40 180.0(7) .
C39 C40 C41 C36 -0.6(15) .
O8 Zr3 C42 C46 -27.2(5) .
O5 Zr3 C42 C46 161.8(5) .
O7 Zr3 C42 C46 -111.0(5) .
O9 Zr3 C42 C46 70.9(6) .
C44 Zr3 C42 C46 77.2(5) .
C45 Zr3 C42 C46 36.7(5) .
C43 Zr3 C42 C46 113.9(6) .
Cl4 Zr3 C42 C46 -118.2(5) .
O8 Zr3 C42 C43 -141.1(4) .
O5 Zr3 C42 C43 48.0(4) .
O7 Zr3 C42 C43 135.1(4) .
O9 Zr3 C42 C43 -42.9(5) .
C44 Zr3 C42 C43 -36.7(4) .
C45 Zr3 C42 C43 -77.2(5) .
C46 Zr3 C42 C43 -113.9(6) .
Cl4 Zr3 C42 C43 127.9(4) .
O8 Zr3 C42 C47 97.7(7) .
O5 Zr3 C42 C47 -73.3(7) .
O7 Zr3 C42 C47 13.9(7) .
O9 Zr3 C42 C47 -164.2(6) .
C44 Zr3 C42 C47 -157.9(8) .
C45 Zr3 C42 C47 161.6(8) .
C46 Zr3 C42 C47 124.9(9) .
C43 Zr3 C42 C47 -121.2(9) .
Cl4 Zr3 C42 C47 6.7(10) .
C46 C42 C43 C44 -2.3(7) .
C47 C42 C43 C44 -174.6(6) .
Zr3 C42 C43 C44 64.7(4) .
C46 C42 C43 C48 173.6(7) .
C47 C42 C43 C48 1.4(11) .
Zr3 C42 C43 C48 -119.4(7) .
C46 C42 C43 Zr3 -67.0(5) .
C47 C42 C43 Zr3 120.7(7) .
O8 Zr3 C43 C44 -62.0(5) .
O5 Zr3 C43 C44 114.2(5) .
O7 Zr3 C43 C44 -158.6(4) .
O9 Zr3 C43 C44 31.6(5) .
C45 Zr3 C43 C44 -37.1(4) .
C46 Zr3 C43 C44 -77.9(5) .
C42 Zr3 C43 C44 -115.1(6) .
Cl4 Zr3 C43 C44 114.1(5) .
O8 Zr3 C43 C42 53.2(5) .
O5 Zr3 C43 C42 -130.7(4) .
O7 Zr3 C43 C42 -43.5(4) .
O9 Zr3 C43 C42 146.7(4) .
C44 Zr3 C43 C42 115.1(6) .
C45 Zr3 C43 C42 78.0(5) .
C46 Zr3 C43 C42 37.3(4) .
Cl4 Zr3 C43 C42 -130.8(4) .
O8 Zr3 C43 C48 176.0(5) .
O5 Zr3 C43 C48 -7.9(6) .
O7 Zr3 C43 C48 79.3(6) .
O9 Zr3 C43 C48 -90.4(6) .
C44 Zr3 C43 C48 -122.0(8) .
C45 Zr3 C43 C48 -159.1(7) .
C46 Zr3 C43 C48 160.1(7) .
C42 Zr3 C43 C48 122.8(7) .
Cl4 Zr3 C43 C48 -7.9(8) .
C42 C43 C44 C45 2.0(7) .
C48 C43 C44 C45 -174.0(6) .
Zr3 C43 C44 C45 67.0(5) .
C42 C43 C44 C49 175.7(6) .
C48 C43 C44 C49 -0.2(11) .
Zr3 C43 C44 C49 -119.3(7) .
C42 C43 C44 Zr3 -65.0(4) .
C48 C43 C44 Zr3 119.1(7) .
O8 Zr3 C44 C43 134.9(4) .
O5 Zr3 C44 C43 -62.3(5) .
O7 Zr3 C44 C43 27.1(6) .
O9 Zr3 C44 C43 -147.9(5) .
C45 Zr3 C44 C43 115.2(6) .
C46 Zr3 C44 C43 77.2(5) .
C42 Zr3 C44 C43 37.1(4) .
Cl4 Zr3 C44 C43 -130.6(4) .
O8 Zr3 C44 C45 19.7(5) .
O5 Zr3 C44 C45 -177.5(4) .
O7 Zr3 C44 C45 -88.0(5) .
O9 Zr3 C44 C45 96.9(4) .
C46 Zr3 C44 C45 -37.9(4) .
C42 Zr3 C44 C45 -78.0(5) .
C43 Zr3 C44 C45 -115.2(6) .
Cl4 Zr3 C44 C45 114.2(5) .
O8 Zr3 C44 C49 -104.2(7) .
O5 Zr3 C44 C49 58.7(7) .
O7 Zr3 C44 C49 148.1(7) .
O9 Zr3 C44 C49 -27.0(7) .
C45 Zr3 C44 C49 -123.9(9) .
C46 Zr3 C44 C49 -161.8(9) .
C42 Zr3 C44 C49 158.1(9) .
C43 Zr3 C44 C49 121.0(10) .
Cl4 Zr3 C44 C49 -9.7(10) .
C43 C44 C45 C46 -0.9(8) .
C49 C44 C45 C46 -174.4(7) .
Zr3 C44 C45 C46 67.1(5) .
C43 C44 C45 C50 175.5(7) .
C49 C44 C45 C50 2.0(12) .
Zr3 C44 C45 C50 -116.5(8) .
C43 C44 C45 Zr3 -68.0(5) .
C49 C44 C45 Zr3 118.5(7) .
O8 Zr3 C45 C46 85.0(5) .
O5 Zr3 C45 C46 -110.4(5) .
O7 Zr3 C45 C46 0.6(6) .
O9 Zr3 C45 C46 170.6(5) .
C44 Zr3 C45 C46 -113.4(7) .
C42 Zr3 C45 C46 -36.1(5) .
C43 Zr3 C45 C46 -76.7(5) .
Cl4 Zr3 C45 C46 125.4(4) .
O8 Zr3 C45 C44 -161.7(4) .
O5 Zr3 C45 C44 3.0(5) .
O7 Zr3 C45 C44 114.0(4) .
O9 Zr3 C45 C44 -76.0(4) .
C46 Zr3 C45 C44 113.4(7) .
C42 Zr3 C45 C44 77.3(5) .
C43 Zr3 C45 C44 36.7(4) .
Cl4 Zr3 C45 C44 -121.2(4) .
O8 Zr3 C45 C50 -38.0(8) .
O5 Zr3 C45 C50 126.7(8) .
O7 Zr3 C45 C50 -122.3(8) .
O9 Zr3 C45 C50 47.6(8) .
C44 Zr3 C45 C50 123.7(10) .
C46 Zr3 C45 C50 -122.9(11) .
C42 Zr3 C45 C50 -159.0(10) .
C43 Zr3 C45 C50 160.4(9) .
Cl4 Zr3 C45 C50 2.4(11) .
C43 C42 C46 C45 1.8(8) .
C47 C42 C46 C45 173.7(7) .
Zr3 C42 C46 C45 -65.9(5) .
C43 C42 C46 C51 -176.2(8) .
C47 C42 C46 C51 -4.4(13) .
Zr3 C42 C46 C51 116.1(8) .
C43 C42 C46 Zr3 67.7(4) .
C47 C42 C46 Zr3 -120.4(7) .
C44 C45 C46 C42 -0.6(8) .
C50 C45 C46 C42 -177.0(7) .
Zr3 C45 C46 C42 66.3(5) .
C44 C45 C46 C51 177.4(8) .
C50 C45 C46 C51 1.0(13) .
Zr3 C45 C46 C51 -115.7(9) .
C44 C45 C46 Zr3 -66.9(5) .
C50 C45 C46 Zr3 116.6(8) .
O8 Zr3 C46 C42 154.0(5) .
O5 Zr3 C46 C42 -23.0(6) .
O7 Zr3 C46 C42 64.4(5) .
O9 Zr3 C46 C42 -126.2(4) .
C44 Zr3 C46 C42 -78.3(5) .
C45 Zr3 C46 C42 -116.1(8) .
C43 Zr3 C46 C42 -37.9(4) .
Cl4 Zr3 C46 C42 131.6(4) .
O8 Zr3 C46 C45 -89.9(5) .
O5 Zr3 C46 C45 93.1(5) .
O7 Zr3 C46 C45 -179.5(5) .
O9 Zr3 C46 C45 -10.1(6) .
C44 Zr3 C46 C45 37.9(5) .
C42 Zr3 C46 C45 116.1(8) .
C43 Zr3 C46 C45 78.3(5) .
Cl4 Zr3 C46 C45 -112.3(6) .
O8 Zr3 C46 C51 33.2(7) .
O5 Zr3 C46 C51 -143.9(7) .
O7 Zr3 C46 C51 -56.5(7) .
O9 Zr3 C46 C51 112.9(7) .
C44 Zr3 C46 C51 160.9(8) .
C45 Zr3 C46 C51 123.0(10) .
C42 Zr3 C46 C51 -120.9(9) .
C43 Zr3 C46 C51 -158.7(8) .
Cl4 Zr3 C46 C51 10.7(10) .
Zr4 O10 C52 O9 -4.6(11) .
Zr4 O10 C52 C53 175.8(4) .
Zr3 O9 C52 O10 -11.8(10) .
Zr3 O9 C52 C53 167.8(4) .
O10 C52 C53 C54 15.3(9) .
O9 C52 C53 C54 -164.3(6) .
O10 C52 C53 C58 -165.8(6) .
O9 C52 C53 C58 14.6(9) .
C58 C53 C54 C55 0.6(12) .
C52 C53 C54 C55 179.5(7) .
C53 C54 C55 C56 -1.9(15) .
C54 C55 C56 C57 2.9(17) .
C55 C56 C57 C58 -2.6(16) .
C56 C57 C58 C53 1.3(14) .
C54 C53 C58 C57 -0.3(12) .
C52 C53 C58 C57 -179.2(7) .
O10 Zr4 C59 C60 -139.4(4) .
O8 Zr4 C59 C60 127.9(5) .
Cl5 Zr4 C59 C60 57.0(5) .
Cl6 Zr4 C59 C60 -42.3(6) .
C62 Zr4 C59 C60 -77.3(5) .
C63 Zr4 C59 C60 -115.1(6) .
C61 Zr4 C59 C60 -37.2(4) .
Cl4 Zr4 C59 C60 145.5(5) .
O10 Zr4 C59 C63 -24.3(4) .
O8 Zr4 C59 C63 -117.0(5) .
Cl5 Zr4 C59 C63 172.1(4) .
Cl6 Zr4 C59 C63 72.8(5) .
C62 Zr4 C59 C63 37.9(4) .
C61 Zr4 C59 C63 77.9(5) .
C60 Zr4 C59 C63 115.1(6) .
Cl4 Zr4 C59 C63 -99.4(4) .
O10 Zr4 C59 C64 97.8(8) .
O8 Zr4 C59 C64 5.0(11) .
Cl5 Zr4 C59 C64 -65.8(8) .
Cl6 Zr4 C59 C64 -165.1(7) .
C62 Zr4 C59 C64 159.9(9) .
C63 Zr4 C59 C64 122.0(10) .
C61 Zr4 C59 C64 -160.0(9) .
C60 Zr4 C59 C64 -122.9(10) .
Cl4 Zr4 C59 C64 22.6(7) .
C63 C59 C60 C61 -1.7(8) .
C64 C59 C60 C61 -173.2(7) .
Zr4 C59 C60 C61 64.5(5) .
C63 C59 C60 C65 169.3(8) .
C64 C59 C60 C65 -2.2(13) .
Zr4 C59 C60 C65 -124.6(8) .
C63 C59 C60 Zr4 -66.1(5) .
C64 C59 C60 Zr4 122.4(7) .
O10 Zr4 C60 C59 52.5(5) .
O8 Zr4 C60 C59 -117.5(5) .
Cl5 Zr4 C60 C59 -119.8(5) .
Cl6 Zr4 C60 C59 148.7(4) .
C62 Zr4 C60 C59 78.8(5) .
C63 Zr4 C60 C59 37.7(4) .
C61 Zr4 C60 C59 115.1(7) .
Cl4 Zr4 C60 C59 -35.4(5) .
O10 Zr4 C60 C61 -62.6(5) .
O8 Zr4 C60 C61 127.4(5) .
Cl5 Zr4 C60 C61 125.1(4) .
Cl6 Zr4 C60 C61 33.6(5) .
C62 Zr4 C60 C61 -36.4(4) .
C63 Zr4 C60 C61 -77.5(5) .
C59 Zr4 C60 C61 -115.1(7) .
Cl4 Zr4 C60 C61 -150.6(4) .
O10 Zr4 C60 C65 175.2(7) .
O8 Zr4 C60 C65 5.2(11) .
Cl5 Zr4 C60 C65 2.9(7) .
Cl6 Zr4 C60 C65 -88.6(8) .
C62 Zr4 C60 C65 -158.5(9) .
C63 Zr4 C60 C65 160.3(9) .
C59 Zr4 C60 C65 122.7(10) .
C61 Zr4 C60 C65 -122.2(10) .
Cl4 Zr4 C60 C65 87.3(8) .
C59 C60 C61 C62 0.9(9) .
C65 C60 C61 C62 -170.1(8) .
Zr4 C60 C61 C62 65.1(5) .
C59 C60 C61 C66 174.5(8) .
C65 C60 C61 C66 3.5(13) .
Zr4 C60 C61 C66 -121.3(9) .
C59 C60 C61 Zr4 -64.2(5) .
C65 C60 C61 Zr4 124.8(8) .
O10 Zr4 C61 C62 16.4(5) .
O8 Zr4 C61 C62 117.6(5) .
Cl5 Zr4 C61 C62 -168.3(4) .
Cl6 Zr4 C61 C62 96.8(5) .
C63 Zr4 C61 C62 -38.1(5) .
C59 Zr4 C61 C62 -79.4(5) .
C60 Zr4 C61 C62 -115.8(7) .
Cl4 Zr4 C61 C62 -75.9(5) .
O10 Zr4 C61 C60 132.1(4) .
O8 Zr4 C61 C60 -126.6(5) .
Cl5 Zr4 C61 C60 -52.5(4) .
Cl6 Zr4 C61 C60 -147.4(4) .
C62 Zr4 C61 C60 115.8(7) .
C63 Zr4 C61 C60 77.7(5) .
C59 Zr4 C61 C60 36.4(4) .
Cl4 Zr4 C61 C60 39.9(5) .
O10 Zr4 C61 C66 -103.6(7) .
O8 Zr4 C61 C66 -2.3(10) .
Cl5 Zr4 C61 C66 71.8(7) .
Cl6 Zr4 C61 C66 -23.1(7) .
C62 Zr4 C61 C66 -119.9(9) .
C63 Zr4 C61 C66 -158.0(8) .
C59 Zr4 C61 C66 160.7(8) .
C60 Zr4 C61 C66 124.3(9) .
Cl4 Zr4 C61 C66 164.2(6) .
C60 C61 C62 C63 0.2(9) .
C66 C61 C62 C63 -173.6(8) .
Zr4 C61 C62 C63 67.3(5) .
C60 C61 C62 C67 174.3(7) .
C66 C61 C62 C67 0.5(13) .
Zr4 C61 C62 C67 -118.6(8) .
C60 C61 C62 Zr4 -67.1(5) .
C66 C61 C62 Zr4 119.1(8) .
O10 Zr4 C62 C61 -164.2(5) .
O8 Zr4 C62 C61 -129.0(5) .
Cl5 Zr4 C62 C61 14.4(5) .
Cl6 Zr4 C62 C61 -78.8(4) .
C63 Zr4 C62 C61 113.9(7) .
C59 Zr4 C62 C61 76.0(5) .
C60 Zr4 C62 C61 36.7(4) .
Cl4 Zr4 C62 C61 125.5(4) .
O10 Zr4 C62 C63 81.8(5) .
O8 Zr4 C62 C63 117.1(5) .
Cl5 Zr4 C62 C63 -99.5(5) .
Cl6 Zr4 C62 C63 167.3(5) .
C59 Zr4 C62 C63 -37.9(5) .
C61 Zr4 C62 C63 -113.9(7) .
C60 Zr4 C62 C63 -77.3(5) .
Cl4 Zr4 C62 C63 11.6(5) .
O10 Zr4 C62 C67 -42.8(6) .
O8 Zr4 C62 C67 -7.6(9) .
Cl5 Zr4 C62 C67 135.8(6) .
Cl6 Zr4 C62 C67 42.6(6) .
C63 Zr4 C62 C67 -124.7(9) .
C59 Zr4 C62 C67 -162.6(7) .
C61 Zr4 C62 C67 121.4(8) .
C60 Zr4 C62 C67 158.1(7) .
Cl4 Zr4 C62 C67 -113.1(6) .
C61 C62 C63 C59 -1.2(8) .
C67 C62 C63 C59 -175.0(8) .
Zr4 C62 C63 C59 67.5(5) .
C61 C62 C63 C68 174.3(7) .
C67 C62 C63 C68 0.5(13) .
Zr4 C62 C63 C68 -117.0(7) .
C61 C62 C63 Zr4 -68.7(5) .
C67 C62 C63 Zr4 117.6(8) .
C60 C59 C63 C62 1.8(8) .
C64 C59 C63 C62 173.2(7) .
Zr4 C59 C63 C62 -66.8(5) .
C60 C59 C63 C68 -173.7(7) .
C64 C59 C63 C68 -2.4(12) .
Zr4 C59 C63 C68 117.6(7) .
C60 C59 C63 Zr4 68.6(5) .
C64 C59 C63 Zr4 -120.0(7) .
O10 Zr4 C63 C62 -90.4(5) .
O8 Zr4 C63 C62 -123.0(5) .
Cl5 Zr4 C63 C62 104.1(5) .
Cl6 Zr4 C63 C62 -14.2(5) .
C59 Zr4 C63 C62 113.7(6) .
C61 Zr4 C63 C62 37.1(4) .
C60 Zr4 C63 C62 77.5(5) .
Cl4 Zr4 C63 C62 -169.8(5) .
O10 Zr4 C63 C59 155.9(4) .
O8 Zr4 C63 C59 123.3(5) .
Cl5 Zr4 C63 C59 -9.5(5) .
Cl6 Zr4 C63 C59 -127.8(4) .
C62 Zr4 C63 C59 -113.7(6) .
C61 Zr4 C63 C59 -76.6(5) .
C60 Zr4 C63 C59 -36.1(4) .
Cl4 Zr4 C63 C59 76.5(4) .
O10 Zr4 C63 C68 32.7(7) .
O8 Zr4 C63 C68 0.1(10) .
Cl5 Zr4 C63 C68 -132.7(7) .
Cl6 Zr4 C63 C68 108.9(7) .
C62 Zr4 C63 C68 123.1(10) .
C59 Zr4 C63 C68 -123.2(9) .
C61 Zr4 C63 C68 160.2(8) .
C60 Zr4 C63 C68 -159.4(8) .
Cl4 Zr4 C63 C68 -46.7(7) .
O15 Zr5 C69 C70 -59.4(4) .
O11 Zr5 C69 C70 117.3(3) 3_655
O12 Zr5 C69 C70 -156.3(3) .
O13 Zr5 C69 C70 33.0(3) .
C71 Zr5 C69 C70 -37.2(3) .
C72 Zr5 C69 C70 -78.2(3) .
C73 Zr5 C69 C70 -115.1(4) .
Cl7 Zr5 C69 C70 117.2(3) .
O15 Zr5 C69 C73 55.7(3) .
O11 Zr5 C69 C73 -127.6(3) 3_655
O12 Zr5 C69 C73 -41.2(3) .
O13 Zr5 C69 C73 148.1(3) .
C71 Zr5 C69 C73 77.8(3) .
C72 Zr5 C69 C73 36.9(3) .
C70 Zr5 C69 C73 115.1(4) .
Cl7 Zr5 C69 C73 -127.7(3) .
O15 Zr5 C69 C74 178.9(4) .
O11 Zr5 C69 C74 -4.4(4) 3_655
O12 Zr5 C69 C74 82.0(5) .
O13 Zr5 C69 C74 -88.7(5) .
C71 Zr5 C69 C74 -159.0(5) .
C72 Zr5 C69 C74 160.1(5) .
C70 Zr5 C69 C74 -121.7(6) .
C73 Zr5 C69 C74 123.2(6) .
Cl7 Zr5 C69 C74 -4.5(7) .
C73 C69 C70 C71 -0.8(6) .
C74 C69 C70 C71 -174.1(5) .
Zr5 C69 C70 C71 65.4(3) .
C73 C69 C70 C75 172.6(5) .
C74 C69 C70 C75 -0.7(8) .
Zr5 C69 C70 C75 -121.2(5) .
C73 C69 C70 Zr5 -66.2(3) .
C74 C69 C70 Zr5 120.5(5) .
O15 Zr5 C70 C71 21.8(3) .
O11 Zr5 C70 C71 -174.9(3) 3_655
O12 Zr5 C70 C71 -84.5(3) .
O13 Zr5 C70 C71 98.7(3) .
C72 Zr5 C70 C71 -37.6(3) .
C73 Zr5 C70 C71 -77.9(3) .
C69 Zr5 C70 C71 -114.8(5) .
Cl7 Zr5 C70 C71 113.1(3) .
O15 Zr5 C70 C69 136.6(3) .
O11 Zr5 C70 C69 -60.0(3) 3_655
O12 Zr5 C70 C69 30.3(4) .
O13 Zr5 C70 C69 -146.5(3) .
C71 Zr5 C70 C69 114.8(5) .
C72 Zr5 C70 C69 77.3(3) .
C73 Zr5 C70 C69 36.9(3) .
Cl7 Zr5 C70 C69 -132.0(3) .
O15 Zr5 C70 C75 -100.7(5) .
O11 Zr5 C70 C75 62.6(5) 3_655
O12 Zr5 C70 C75 153.0(5) .
O13 Zr5 C70 C75 -23.8(5) .
C71 Zr5 C70 C75 -122.5(6) .
C72 Zr5 C70 C75 -160.0(6) .
C73 Zr5 C70 C75 159.6(6) .
C69 Zr5 C70 C75 122.7(7) .
Cl7 Zr5 C70 C75 -9.3(7) .
C69 C70 C71 C72 0.6(6) .
C75 C70 C71 C72 -172.7(5) .
Zr5 C70 C71 C72 67.4(4) .
C69 C70 C71 C76 176.4(5) .
C75 C70 C71 C76 3.1(9) .
Zr5 C70 C71 C76 -116.8(5) .
C69 C70 C71 Zr5 -66.8(3) .
C75 C70 C71 Zr5 119.9(5) .
O15 Zr5 C71 C70 -159.5(3) .
O11 Zr5 C71 C70 6.2(4) 3_655
O12 Zr5 C71 C70 116.7(3) .
O13 Zr5 C71 C70 -74.6(3) .
C72 Zr5 C71 C70 114.3(4) .
C73 Zr5 C71 C70 77.1(3) .
C69 Zr5 C71 C70 36.9(3) .
Cl7 Zr5 C71 C70 -124.2(3) .
O15 Zr5 C71 C72 86.1(3) .
O11 Zr5 C71 C72 -108.1(3) 3_655
O12 Zr5 C71 C72 2.4(4) .
O13 Zr5 C71 C72 171.1(3) .
C70 Zr5 C71 C72 -114.3(4) .
C73 Zr5 C71 C72 -37.2(3) .
C69 Zr5 C71 C72 -77.4(3) .
Cl7 Zr5 C71 C72 121.5(3) .
O15 Zr5 C71 C76 -37.0(5) .
O11 Zr5 C71 C76 128.8(5) 3_655
O12 Zr5 C71 C76 -120.8(5) .
O13 Zr5 C71 C76 47.9(5) .
C72 Zr5 C71 C76 -123.1(6) .
C70 Zr5 C71 C76 122.5(6) .
C73 Zr5 C71 C76 -160.3(6) .
C69 Zr5 C71 C76 159.5(6) .
Cl7 Zr5 C71 C76 -1.6(7) .
C70 C71 C72 C73 -0.1(6) .
C76 C71 C72 C73 -175.9(5) .
Zr5 C71 C72 C73 67.8(4) .
C70 C71 C72 C77 174.7(5) .
C76 C71 C72 C77 -1.0(9) .
Zr5 C71 C72 C77 -117.3(6) .
C70 C71 C72 Zr5 -68.0(4) .
C76 C71 C72 Zr5 116.3(5) .
O15 Zr5 C72 C73 157.3(3) .
O11 Zr5 C72 C73 -17.4(4) 3_655
O12 Zr5 C72 C73 67.8(3) .
O13 Zr5 C72 C73 -124.0(3) .
C71 Zr5 C72 C73 -114.3(5) .
C70 Zr5 C72 C73 -77.0(3) .
C69 Zr5 C72 C73 -36.8(3) .
Cl7 Zr5 C72 C73 131.0(3) .
O15 Zr5 C72 C71 -88.4(3) .
O11 Zr5 C72 C71 96.8(3) 3_655
O12 Zr5 C72 C71 -177.9(3) .
O13 Zr5 C72 C71 -9.7(4) .
C70 Zr5 C72 C71 37.3(3) .
C73 Zr5 C72 C71 114.3(5) .
C69 Zr5 C72 C71 77.5(3) .
Cl7 Zr5 C72 C71 -114.7(3) .
O15 Zr5 C72 C77 35.0(5) .
O11 Zr5 C72 C77 -139.7(5) 3_655
O12 Zr5 C72 C77 -54.5(5) .
O13 Zr5 C72 C77 113.7(5) .
C71 Zr5 C72 C77 123.4(6) .
C70 Zr5 C72 C77 160.7(6) .
C73 Zr5 C72 C77 -122.3(6) .
C69 Zr5 C72 C77 -159.1(6) .
Cl7 Zr5 C72 C77 8.7(7) .
C71 C72 C73 C69 -0.3(6) .
C77 C72 C73 C69 -175.4(5) .
Zr5 C72 C73 C69 66.1(4) .
C71 C72 C73 C78 172.9(5) .
C77 C72 C73 C78 -2.1(9) .
Zr5 C72 C73 C78 -120.7(5) .
C71 C72 C73 Zr5 -66.4(4) .
C77 C72 C73 Zr5 118.6(6) .
C70 C69 C73 C72 0.7(6) .
C74 C69 C73 C72 173.9(5) .
Zr5 C69 C73 C72 -65.1(4) .
C70 C69 C73 C78 -172.5(5) .
C74 C69 C73 C78 0.7(8) .
Zr5 C69 C73 C78 121.7(5) .
C70 C69 C73 Zr5 65.8(3) .
C74 C69 C73 Zr5 -121.0(5) .
O15 Zr5 C73 C72 -23.9(3) .
O11 Zr5 C73 C72 166.3(3) 3_655
O12 Zr5 C73 C72 -107.0(3) .
O13 Zr5 C73 C72 74.2(4) .
C71 Zr5 C73 C72 37.7(3) .
C70 Zr5 C73 C72 78.3(3) .
C69 Zr5 C73 C72 115.2(4) .
Cl7 Zr5 C73 C72 -114.5(3) .
O15 Zr5 C73 C69 -139.2(3) .
O11 Zr5 C73 C69 51.0(3) 3_655
O12 Zr5 C73 C69 137.7(3) .
O13 Zr5 C73 C69 -41.0(3) .
C71 Zr5 C73 C69 -77.6(3) .
C72 Zr5 C73 C69 -115.2(4) .
C70 Zr5 C73 C69 -36.9(3) .
Cl7 Zr5 C73 C69 130.2(3) .
O15 Zr5 C73 C78 98.1(5) .
O11 Zr5 C73 C78 -71.7(5) 3_655
O12 Zr5 C73 C78 15.0(4) .
O13 Zr5 C73 C78 -163.8(4) .
C71 Zr5 C73 C78 159.7(5) .
C72 Zr5 C73 C78 122.0(6) .
C70 Zr5 C73 C78 -159.7(5) .
C69 Zr5 C73 C78 -122.8(6) .
Cl7 Zr5 C73 C78 7.5(7) .
Zr5 O11 C79 O12 61.5(18) 3_655
Zr5 O11 C79 C80 -118.7(15) 3_655
Zr5 O12 C79 O11 2.5(10) .
Zr5 O12 C79 C80 -177.3(5) .
O11 C79 C80 C81 -162.5(5) .
O12 C79 C80 C81 17.4(8) .
O11 C79 C80 C85 17.9(8) .
O12 C79 C80 C85 -162.2(6) .
C85 C80 C81 C82 -0.5(11) .
C79 C80 C81 C82 179.9(6) .
C80 C81 C82 C83 0.4(13) .
C81 C82 C83 C84 0.3(15) .
C82 C83 C84 C85 -0.9(16) .
C83 C84 C85 C80 0.8(15) .
C81 C80 C85 C84 -0.1(12) .
C79 C80 C85 C84 179.5(7) .
Zr6 O14 C86 O13 0.0(9) .
Zr6 O14 C86 C87 179.0(4) .
Zr5 O13 C86 O14 -18.5(8) .
Zr5 O13 C86 C87 162.4(3) .
O14 C86 C87 C92 -161.1(6) .
O13 C86 C87 C92 18.0(8) .
O14 C86 C87 C88 19.4(8) .
O13 C86 C87 C88 -161.5(5) .
C92 C87 C88 C89 -0.7(10) .
C86 C87 C88 C89 178.8(6) .
C87 C88 C89 C90 0.1(11) .
C88 C89 C90 C91 0.7(12) .
C89 C90 C91 C92 -0.8(12) .
C88 C87 C92 C91 0.6(10) .
C86 C87 C92 C91 -178.8(6) .
C90 C91 C92 C87 0.1(11) .
O14 Zr6 C93 C97 161.2(4) .
O15 Zr6 C93 C97 120.0(4) .
Cl8 Zr6 C93 C97 -121.8(4) .
Cl9 Zr6 C93 C97 -5.8(4) .
C94 Zr6 C93 C97 -114.0(5) .
C95 Zr6 C93 C97 -76.3(4) .
C96 Zr6 C93 C97 -36.8(4) .
Cl7 Zr6 C93 C97 79.4(4) .
O14 Zr6 C93 C94 -84.8(4) .
O15 Zr6 C93 C94 -126.1(4) .
Cl8 Zr6 C93 C94 -7.8(4) .
Cl9 Zr6 C93 C94 108.2(4) .
C97 Zr6 C93 C94 114.0(5) .
C95 Zr6 C93 C94 37.7(4) .
C96 Zr6 C93 C94 77.2(4) .
Cl7 Zr6 C93 C94 -166.6(4) .
O14 Zr6 C93 C98 37.3(6) .
O15 Zr6 C93 C98 -4.0(8) .
Cl8 Zr6 C93 C98 114.2(6) .
Cl9 Zr6 C93 C98 -129.7(6) .
C94 Zr6 C93 C98 122.0(8) .
C97 Zr6 C93 C98 -124.0(8) .
C95 Zr6 C93 C98 159.7(7) .
C96 Zr6 C93 C98 -160.7(7) .
Cl7 Zr6 C93 C98 -44.5(6) .
C97 C93 C94 C95 0.3(6) .
C98 C93 C94 C95 174.8(6) .
Zr6 C93 C94 C95 -68.0(4) .
C97 C93 C94 C99 -174.3(6) .
C98 C93 C94 C99 0.2(10) .
Zr6 C93 C94 C99 117.3(6) .
C97 C93 C94 Zr6 68.4(4) .
C98 C93 C94 Zr6 -117.2(6) .
O14 Zr6 C94 C93 87.7(4) .
O15 Zr6 C94 C93 111.0(4) .
Cl8 Zr6 C94 C93 173.2(4) .
Cl9 Zr6 C94 C93 -95.2(4) .
C97 Zr6 C94 C93 -37.3(4) .
C95 Zr6 C94 C93 -113.9(5) .
C96 Zr6 C94 C93 -77.2(4) .
Cl7 Zr6 C94 C93 14.7(4) .
O14 Zr6 C94 C95 -158.5(4) .
O15 Zr6 C94 C95 -135.1(4) .
Cl8 Zr6 C94 C95 -73.0(4) .
Cl9 Zr6 C94 C95 18.6(5) .
C93 Zr6 C94 C95 113.9(5) .
C97 Zr6 C94 C95 76.5(4) .
C96 Zr6 C94 C95 36.7(4) .
Cl7 Zr6 C94 C95 128.5(4) .
O14 Zr6 C94 C99 -36.3(6) .
O15 Zr6 C94 C99 -13.0(9) .
Cl8 Zr6 C94 C99 49.2(6) .
Cl9 Zr6 C94 C99 140.7(6) .
C93 Zr6 C94 C99 -124.0(8) .
C97 Zr6 C94 C99 -161.3(7) .
C95 Zr6 C94 C99 122.1(8) .
C96 Zr6 C94 C99 158.8(8) .
Cl7 Zr6 C94 C99 -109.3(6) .
C93 C94 C95 C96 -0.9(7) .
C99 C94 C95 C96 173.9(6) .
Zr6 C94 C95 C96 -67.5(4) .
C93 C94 C95 C100 -174.4(6) .
C99 C94 C95 C100 0.5(10) .
Zr6 C94 C95 C100 119.1(6) .
C93 C94 C95 Zr6 66.5(4) .
C99 C94 C95 Zr6 -118.7(6) .
O14 Zr6 C95 C96 136.2(4) .
O15 Zr6 C95 C96 -127.2(5) .
Cl8 Zr6 C95 C96 -142.6(4) .
Cl9 Zr6 C95 C96 -50.9(4) .
C93 Zr6 C95 C96 76.6(4) .
C94 Zr6 C95 C96 114.2(6) .
C97 Zr6 C95 C96 36.1(4) .
Cl7 Zr6 C95 C96 44.0(5) .
O14 Zr6 C95 C94 22.0(4) .
O15 Zr6 C95 C94 118.6(5) .
Cl8 Zr6 C95 C94 103.2(4) .
Cl9 Zr6 C95 C94 -165.2(4) .
C93 Zr6 C95 C94 -37.6(4) .
C97 Zr6 C95 C94 -78.1(4) .
C96 Zr6 C95 C94 -114.2(6) .
Cl7 Zr6 C95 C94 -70.3(4) .
O14 Zr6 C95 C100 -99.0(7) .
O15 Zr6 C95 C100 -2.4(10) .
Cl8 Zr6 C95 C100 -17.8(7) .
Cl9 Zr6 C95 C100 73.9(7) .
C93 Zr6 C95 C100 -158.6(8) .
C94 Zr6 C95 C100 -121.0(9) .
C97 Zr6 C95 C100 160.9(8) .
C96 Zr6 C95 C100 124.8(9) .
Cl7 Zr6 C95 C100 168.7(6) .
C94 C95 C96 C97 1.2(7) .
C100 C95 C96 C97 174.5(6) .
Zr6 C95 C96 C97 -64.4(4) .
C94 C95 C96 C101 -170.7(6) .
C100 C95 C96 C101 2.6(11) .
Zr6 C95 C96 C101 123.8(6) .
C94 C95 C96 Zr6 65.6(4) .
C100 C95 C96 Zr6 -121.2(7) .
O14 Zr6 C96 C95 -56.6(5) .
O15 Zr6 C96 C95 132.6(4) .
Cl8 Zr6 C96 C95 37.9(4) .
Cl9 Zr6 C96 C95 127.3(4) .
C93 Zr6 C96 C95 -79.0(4) .
C94 Zr6 C96 C95 -37.9(4) .
C97 Zr6 C96 C95 -116.4(6) .
Cl7 Zr6 C96 C95 -146.9(4) .
O14 Zr6 C96 C97 59.8(4) .
O15 Zr6 C96 C97 -111.0(5) .
Cl8 Zr6 C96 C97 154.3(3) .
Cl9 Zr6 C96 C97 -116.3(4) .
C93 Zr6 C96 C97 37.4(4) .
C94 Zr6 C96 C97 78.5(4) .
C95 Zr6 C96 C97 116.4(6) .
Cl7 Zr6 C96 C97 -30.5(4) .
O14 Zr6 C96 C101 -178.9(7) .
O15 Zr6 C96 C101 10.3(10) .
Cl8 Zr6 C96 C101 -84.4(7) .
Cl9 Zr6 C96 C101 5.0(7) .
C93 Zr6 C96 C101 158.7(8) .
C94 Zr6 C96 C101 -160.2(8) .
C97 Zr6 C96 C101 121.3(9) .
C95 Zr6 C96 C101 -122.3(9) .
Cl7 Zr6 C96 C101 90.8(7) .
C95 C96 C97 C93 -1.0(7) .
C101 C96 C97 C93 170.9(6) .
Zr6 C96 C97 C93 -66.1(4) .
C95 C96 C97 C102 -173.8(6) .
C101 C96 C97 C102 -1.9(10) .
Zr6 C96 C97 C102 121.2(6) .
C95 C96 C97 Zr6 65.1(4) .
C101 C96 C97 Zr6 -123.0(6) .
C94 C93 C97 C96 0.4(6) .
C98 C93 C97 C96 -174.0(6) .
Zr6 C93 C97 C96 68.3(4) .
C94 C93 C97 C102 172.8(6) .
C98 C93 C97 C102 -1.6(10) .
Zr6 C93 C97 C102 -119.4(6) .
C94 C93 C97 Zr6 -67.9(4) .
C98 C93 C97 Zr6 117.7(6) .
O14 Zr6 C97 C96 -133.9(4) .
O15 Zr6 C97 C96 131.9(4) .
Cl8 Zr6 C97 C96 -34.2(4) .
Cl9 Zr6 C97 C96 60.6(4) .
C93 Zr6 C97 C96 -114.6(6) .
C94 Zr6 C97 C96 -76.9(4) .
C95 Zr6 C97 C96 -35.9(4) .
Cl7 Zr6 C97 C96 150.1(4) .
O14 Zr6 C97 C93 -19.3(4) .
O15 Zr6 C97 C93 -113.5(4) .
Cl8 Zr6 C97 C93 80.4(4) .
Cl9 Zr6 C97 C93 175.2(4) .
C94 Zr6 C97 C93 37.7(4) .
C95 Zr6 C97 C93 78.7(4) .
C96 Zr6 C97 C93 114.6(6) .
Cl7 Zr6 C97 C93 -95.3(4) .
O14 Zr6 C97 C102 105.0(6) .
O15 Zr6 C97 C102 10.7(8) .
Cl8 Zr6 C97 C102 -155.3(6) .
Cl9 Zr6 C97 C102 -60.6(6) .
C93 Zr6 C97 C102 124.3(8) .
C94 Zr6 C97 C102 162.0(7) .
C95 Zr6 C97 C102 -157.0(7) .
C96 Zr6 C97 C102 -121.1(8) .
Cl7 Zr6 C97 C102 29.0(6) .
