#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:59:16 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179909 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/05/7020516.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_7020516
loop_
_publ_author_name
'Mansell, Stephen M.'
'Green, Michael'
'Russell, Christopher A.'
_publ_section_title
;
 Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne
 bearing a reactive substituent.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14360
_journal_page_last               14368
_journal_paper_doi               10.1039/c2dt31756g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         '2(C46 H38 B F14.39 P2 Si2 Zr2), 3(C6 H6)'
_chemical_formula_sum            'C110 H94 B2 F28.77 P4 Si4 Zr4'
_chemical_formula_weight         2585.27
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.581(2)
_cell_angle_beta                 102.183(2)
_cell_angle_gamma                100.369(2)
_cell_formula_units_Z            1
_cell_length_a                   13.6768(5)
_cell_length_b                   14.4684(6)
_cell_length_c                   14.8618(6)
_cell_measurement_reflns_used    24130
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2515
_cell_measurement_theta_min      2.923
_cell_volume                     2725.79(19)
_computing_cell_refinement       'APEX-II and SAINT (Bruker, 2001)'
_computing_data_collection       'APEX-II (Bruker, 2004)'
_computing_data_reduction        'SAINT v7.51A (BRUKER)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean '4096x4096pixels / 62x62mm'
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker Kappa-APEX-II area-detector'
_diffrn_measurement_method       'φ and 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  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0288
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            45201
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         3.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.572
_exptl_absorpt_correction_T_max  0.947039
_exptl_absorpt_correction_T_min  0.836549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2007/4
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1299
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.843
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         13297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0560P)²+7.0206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1346
_reflns_number_gt                10531
_reflns_number_total             13297
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31756g.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7020516
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zr1 Zr 0.77868(2) 0.71461(2) 0.22934(2) 0.02211(8) Uani 1 1 d .
Zr2 Zr 0.74965(2) 0.75654(2) 0.51392(2) 0.02336(8) Uani 1 1 d .
P1 P 0.66219(7) 0.75174(7) 0.33340(6) 0.02886(19) Uani 1 1 d .
P2 P 0.91351(6) 0.72949(6) 0.44307(5) 0.02122(16) Uani 1 1 d .
Si1 Si 0.46867(8) 0.78977(8) 0.39985(7) 0.0312(2) Uani 1 1 d .
Si2 Si 1.04867(7) 0.68303(7) 0.30063(7) 0.02591(19) Uani 1 1 d .
B1 B 1.3269(3) 0.7496(3) 0.7496(3) 0.0256(7) Uani 1 1 d .
C1 C 0.8450(3) 0.8975(3) 0.2748(3) 0.0386(9) Uani 1 1 d .
H1A H 0.8620 0.9324 0.3402 0.046 Uiso 1 1 calc R
C2 C 0.9121(3) 0.8567(3) 0.2268(3) 0.0387(9) Uani 1 1 d .
H1 H 0.9826 0.8604 0.2537 0.046 Uiso 1 1 calc R
C3 C 0.8561(3) 0.8097(3) 0.1321(3) 0.0372(9) Uani 1 1 d .
H3 H 0.8819 0.7752 0.0838 0.045 Uiso 1 1 calc R
C4 C 0.7549(3) 0.8224(3) 0.1211(3) 0.0344(8) Uani 1 1 d .
H4 H 0.7006 0.7981 0.0642 0.041 Uiso 1 1 calc R
C5 C 0.7485(3) 0.8774(3) 0.2090(3) 0.0354(8) Uani 1 1 d .
H5 H 0.6893 0.8975 0.2218 0.042 Uiso 1 1 calc R
C6 C 0.7645(3) 0.5736(3) 0.0946(2) 0.0325(8) Uani 1 1 d .
H6 H 0.8088 0.5821 0.0542 0.039 Uiso 1 1 calc R
C7 C 0.6652(3) 0.5922(3) 0.0825(2) 0.0327(8) Uani 1 1 d .
H7 H 0.6312 0.6158 0.0328 0.039 Uiso 1 1 calc R
C8 C 0.6259(3) 0.5696(3) 0.1571(2) 0.0323(8) Uani 1 1 d .
H8 H 0.5600 0.5742 0.1660 0.039 Uiso 1 1 calc R
C9 C 0.7015(3) 0.5386(3) 0.2168(2) 0.0319(8) Uani 1 1 d .
H9 H 0.6959 0.5202 0.2734 0.038 Uiso 1 1 calc R
C10 C 0.7859(3) 0.5400(3) 0.1774(3) 0.0319(8) Uani 1 1 d .
H10 H 0.8472 0.5216 0.2021 0.038 Uiso 1 1 calc R
C11 C 0.7760(3) 0.9412(3) 0.5497(3) 0.0349(8) Uani 1 1 d .
H11 H 0.7440 0.9690 0.5025 0.042 Uiso 1 1 calc R
C12 C 0.8745(3) 0.9237(3) 0.5623(3) 0.0335(8) Uani 1 1 d .
H12 H 0.9210 0.9374 0.5249 0.040 Uiso 1 1 calc R
C13 C 0.8936(3) 0.8820(3) 0.6403(3) 0.0354(8) Uani 1 1 d .
H13 H 0.9541 0.8618 0.6639 0.043 Uiso 1 1 calc R
C14 C 0.8067(3) 0.8760(3) 0.6762(3) 0.0386(9) Uani 1 1 d .
H14 H 0.7987 0.8527 0.7299 0.046 Uiso 1 1 calc R
C15 C 0.7326(3) 0.9106(3) 0.6189(3) 0.0372(8) Uani 1 1 d .
H15 H 0.6656 0.9128 0.6261 0.045 Uiso 1 1 calc R
C16 C 0.6960(3) 0.6616(3) 0.6240(3) 0.0405(9) Uani 1 1 d .
H16 H 0.6952 0.6972 0.6855 0.049 Uiso 1 1 calc R
C17 C 0.6132(3) 0.6322(3) 0.5416(3) 0.0393(9) Uani 1 1 d .
H17 H 0.5471 0.6453 0.5376 0.047 Uiso 1 1 calc R
C18 C 0.6452(3) 0.5797(3) 0.4659(3) 0.0333(8) Uani 1 1 d .
H18 H 0.6043 0.5511 0.4022 0.040 Uiso 1 1 calc R
C19 C 0.7482(3) 0.5772(3) 0.5013(3) 0.0314(7) Uani 1 1 d .
H19 H 0.7889 0.5461 0.4658 0.038 Uiso 1 1 calc R
C20 C 0.7804(3) 0.6291(3) 0.5990(3) 0.0359(8) Uani 1 1 d .
H20 H 0.8470 0.6401 0.6405 0.043 Uiso 1 1 calc R
C21 C 0.6022(3) 0.7730(3) 0.4178(2) 0.0267(7) Uani 1 1 d .
C22 C 0.4448(3) 0.8571(4) 0.3068(3) 0.0463(10) Uani 1 1 d .
H22A H 0.3772 0.8724 0.3015 0.069 Uiso 1 1 calc R
H22B H 0.4465 0.8166 0.2453 0.069 Uiso 1 1 calc R
H22C H 0.4983 0.9178 0.3248 0.069 Uiso 1 1 calc R
C23 C 0.3825(3) 0.6658(4) 0.3578(4) 0.0567(13) Uani 1 1 d .
H23A H 0.3940 0.6318 0.4080 0.085 Uiso 1 1 calc R
H23B H 0.3972 0.6292 0.3004 0.085 Uiso 1 1 calc R
H23C H 0.3106 0.6707 0.3426 0.085 Uiso 1 1 calc R
C24 C 0.4487(4) 0.8589(4) 0.5125(3) 0.0481(11) Uani 1 1 d .
H24A H 0.4599 0.8228 0.5609 0.072 Uiso 1 1 calc R
H24B H 0.3782 0.8678 0.5010 0.072 Uiso 1 1 calc R
H24C H 0.4975 0.9228 0.5352 0.072 Uiso 1 1 calc R
C25 C 0.9280(2) 0.7068(2) 0.3335(2) 0.0217(6) Uani 1 1 d .
C26 C 1.1565(3) 0.7955(3) 0.3456(3) 0.0427(10) Uani 1 1 d .
H26A H 1.1287 0.8528 0.3418 0.064 Uiso 1 1 calc R
H26B H 1.2056 0.7906 0.3064 0.064 Uiso 1 1 calc R
H26C H 1.1916 0.8018 0.4121 0.064 Uiso 1 1 calc R
C27 C 1.0875(3) 0.5812(3) 0.3458(3) 0.0376(9) Uani 1 1 d .
H27A H 1.1415 0.5613 0.3175 0.056 Uiso 1 1 calc R
H27B H 1.0277 0.5258 0.3281 0.056 Uiso 1 1 calc R
H27C H 1.1137 0.6028 0.4154 0.056 Uiso 1 1 calc R
C28 C 1.0289(3) 0.6455(4) 0.1708(3) 0.0467(10) Uani 1 1 d .
H28A H 1.0951 0.6428 0.1561 0.070 Uiso 1 1 calc R
H28B H 0.9996 0.6928 0.1423 0.070 Uiso 1 1 calc R
H28C H 0.9816 0.5810 0.1447 0.070 Uiso 1 1 calc R
C29 C 1.0341(2) 0.7395(2) 0.5324(2) 0.0228(6) Uani 1 1 d .
C30 C 1.1134(3) 0.8232(2) 0.5673(2) 0.0230(6) Uani 1 1 d .
C31 C 1.2030(2) 0.8291(2) 0.6341(2) 0.0227(6) Uani 1 1 d .
C32 C 1.2213(2) 0.7539(2) 0.6749(2) 0.0227(6) Uani 1 1 d .
C33 C 1.1401(3) 0.6714(2) 0.6396(2) 0.0246(6) Uani 1 1 d .
C34 C 1.0504(2) 0.6642(2) 0.5726(2) 0.0238(6) Uani 1 1 d .
C35 C 1.3037(3) 0.7189(2) 0.8458(2) 0.0254(7) Uani 1 1 d .
C36 C 1.3815(3) 0.6937(3) 0.9064(2) 0.0279(7) Uani 1 1 d .
C37 C 1.3720(3) 0.6700(3) 0.9902(3) 0.0328(8) Uani 1 1 d .
C38 C 1.2834(3) 0.6709(3) 1.0175(3) 0.0345(8) Uani 1 1 d .
C39 C 1.2045(3) 0.6958(3) 0.9611(3) 0.0330(8) Uani 1 1 d .
C40 C 1.2164(3) 0.7198(3) 0.8785(2) 0.0277(7) Uani 1 1 d .
C41 C 1.4130(2) 0.8539(2) 0.7927(2) 0.0223(6) Uani 1 1 d .
C42 C 1.5137(3) 0.8693(3) 0.7849(2) 0.0274(7) Uani 1 1 d .
C43 C 1.5877(3) 0.9538(3) 0.8304(2) 0.0324(8) Uani 1 1 d .
C44 C 1.5635(3) 1.0306(3) 0.8867(2) 0.0318(8) Uani 1 1 d .
C45 C 1.4652(3) 1.0212(2) 0.8964(2) 0.0280(7) Uani 1 1 d .
C46 C 1.3933(3) 0.9347(2) 0.8507(2) 0.0241(6) Uani 1 1 d .
C47 C 0.6918(4) 0.6112(4) 0.8505(3) 0.0600(15) Uani 1 1 d .
H47 H 0.6245 0.5724 0.8397 0.072 Uiso 1 1 calc R
C48 C 0.7740(5) 0.5671(4) 0.8437(3) 0.0558(13) Uani 1 1 d .
H48 H 0.7627 0.4982 0.8284 0.067 Uiso 1 1 calc R
C49 C 0.8702(4) 0.6237(4) 0.8591(3) 0.0474(10) Uani 1 1 d .
H49 H 0.9263 0.5940 0.8550 0.057 Uiso 1 1 calc R
C50 C 0.8864(3) 0.7231(3) 0.8806(3) 0.0440(10) Uani 1 1 d .
H50 H 0.9534 0.7621 0.8903 0.053 Uiso 1 1 calc R
C51 C 0.8066(4) 0.7664(3) 0.8881(3) 0.0435(10) Uani 1 1 d .
H51 H 0.8188 0.8354 0.9039 0.052 Uiso 1 1 calc R
C52 C 0.7092(4) 0.7114(4) 0.8731(3) 0.0513(12) Uani 1 1 d .
H52 H 0.6540 0.7420 0.8782 0.062 Uiso 1 1 calc R
H53 H 1.0589 -0.0294 0.8641 0.062 Uiso 1 1 d R
C53 C 1.0350(6) -0.0165(4) 0.9192(3) 0.0707(19) Uani 1 1 d .
C54 C 0.9154(5) 0.0411(4) 1.0009(4) 0.0680(16) Uani 1 1 d .
H54 H 0.8574 0.0686 1.0015 0.082 Uiso 1 1 calc R
C55 C 0.9522(5) 0.0245(4) 0.9198(4) 0.0711(19) Uani 1 1 d .
H55 H 0.9199 0.0417 0.8647 0.085 Uiso 1 1 calc R
F1 F 1.10337(15) 0.90219(14) 0.53376(14) 0.0278(4) Uani 1 1 d .
F2 F 1.27519(15) 0.91446(14) 0.65848(14) 0.0270(4) Uani 1 1 d .
F3 F 1.14707(16) 0.59153(14) 0.67227(15) 0.0314(4) Uani 1 1 d .
F4 F 0.97656(15) 0.58056(14) 0.54446(15) 0.0318(5) Uani 1 1 d .
F5 F 1.47259(16) 0.69244(17) 0.88560(16) 0.0370(5) Uani 1 1 d .
F6 F 1.45106(19) 0.64806(19) 1.04594(17) 0.0471(6) Uani 1 1 d .
F7 F 1.2733(2) 0.6495(2) 1.09948(17) 0.0491(6) Uani 1 1 d .
F8 F 1.11667(19) 0.6988(2) 0.98795(18) 0.0489(6) Uani 1 1 d .
F9 F 1.13504(16) 0.74609(18) 0.82986(15) 0.0364(5) Uani 1 1 d .
F10 F 1.54602(18) 0.79893(18) 0.73072(15) 0.0404(5) Uani 1 1 d .
F11 F 1.68472(18) 0.9632(2) 0.82100(18) 0.0505(7) Uani 1 1 d .
F12 F 1.6355(2) 1.11366(18) 0.93096(18) 0.0489(6) Uani 1 1 d .
F13 F 1.44062(19) 1.09588(16) 0.95115(15) 0.0396(5) Uani 1 1 d .
F14 F 1.29812(16) 0.92900(15) 0.86404(15) 0.0314(4) Uani 1 1 d .
F15 F 1.3691(5) 0.6664(4) 0.6820(4) 0.038(2) Uani 0.386(9) 1 d P
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'
Si Si 0.0817 0.0704 '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'
Zr Zr -2.9673 0.5597 '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'
B B 0.0013 0.0007 '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
C25 Zr1 C3 99.41(13) . .
C25 Zr1 C6 99.57(12) . .
C3 Zr1 C6 83.76(13) . .
C25 Zr1 C4 129.49(13) . .
C3 Zr1 C4 33.03(13) . .
C6 Zr1 C4 91.87(12) . .
C25 Zr1 C7 130.21(12) . .
C3 Zr1 C7 90.87(14) . .
C6 Zr1 C7 33.07(12) . .
C4 Zr1 C7 80.45(13) . .
C25 Zr1 P1 104.37(8) . .
C3 Zr1 P1 130.80(9) . .
C6 Zr1 P1 132.17(10) . .
C4 Zr1 P1 103.32(9) . .
C7 Zr1 P1 104.82(9) . .
C25 Zr1 C10 76.53(11) . .
C3 Zr1 C10 110.46(13) . .
C6 Zr1 C10 32.97(12) . .
C4 Zr1 C10 124.77(12) . .
C7 Zr1 C10 54.43(12) . .
P1 Zr1 C10 116.64(10) . .
C25 Zr1 C2 75.65(12) . .
C3 Zr1 C2 32.79(14) . .
C6 Zr1 C2 109.63(14) . .
C4 Zr1 C2 54.29(13) . .
C7 Zr1 C2 123.51(13) . .
P1 Zr1 C2 116.11(11) . .
C10 Zr1 C2 124.70(14) . .
C25 Zr1 C1 88.20(12) . .
C3 Zr1 C1 54.14(13) . .
C6 Zr1 C1 137.90(13) . .
C4 Zr1 C1 53.93(12) . .
C7 Zr1 C1 134.17(12) . .
P1 Zr1 C1 84.04(10) . .
C10 Zr1 C1 156.61(14) . .
C2 Zr1 C1 32.55(14) . .
C25 Zr1 C9 89.65(12) . .
C3 Zr1 C9 138.00(13) . .
C6 Zr1 C9 54.25(12) . .
C4 Zr1 C9 134.27(12) . .
C7 Zr1 C9 54.21(12) . .
P1 Zr1 C9 84.91(9) . .
C10 Zr1 C9 32.33(13) . .
C2 Zr1 C9 156.56(14) . .
C1 Zr1 C9 167.84(13) . .
C25 Zr1 C5 120.47(13) . .
C3 Zr1 C5 54.07(13) . .
C6 Zr1 C5 123.75(12) . .
C4 Zr1 C5 32.43(12) . .
C7 Zr1 C5 104.98(13) . .
P1 Zr1 C5 76.77(9) . .
C10 Zr1 C5 156.62(12) . .
C2 Zr1 C5 53.78(14) . .
C1 Zr1 C5 32.27(13) . .
C9 Zr1 C5 147.65(13) . .
C25 Zr1 C8 122.21(12) . .
C3 Zr1 C8 122.58(13) . .
C6 Zr1 C8 54.08(13) . .
C4 Zr1 C8 104.31(13) . .
C7 Zr1 C8 32.44(12) . .
P1 Zr1 C8 78.15(9) . .
C10 Zr1 C8 53.75(12) . .
C2 Zr1 C8 155.32(12) . .
C1 Zr1 C8 147.65(13) . .
C9 Zr1 C8 32.56(12) . .
C5 Zr1 C8 116.26(13) . .
C21 Zr2 C16 107.16(14) . .
C21 Zr2 C20 130.92(13) . .
C16 Zr2 C20 32.85(14) . .
C21 Zr2 C15 82.04(13) . .
C16 Zr2 C15 90.98(14) . .
C20 Zr2 C15 113.97(14) . .
C21 Zr2 C14 113.92(13) . .
C16 Zr2 C14 74.93(14) . .
C20 Zr2 C14 86.44(13) . .
C15 Zr2 C14 32.78(13) . .
C21 Zr2 C17 77.98(13) . .
C16 Zr2 C17 32.58(14) . .
C20 Zr2 C17 54.03(14) . .
C15 Zr2 C17 101.12(14) . .
C14 Zr2 C17 99.73(14) . .
C21 Zr2 C13 130.83(13) . .
C16 Zr2 C13 95.57(14) . .
C20 Zr2 C13 90.58(13) . .
C15 Zr2 C13 53.97(13) . .
C14 Zr2 C13 32.23(13) . .
C17 Zr2 C13 126.52(14) . .
C21 Zr2 C11 77.74(12) . .
C16 Zr2 C11 122.91(13) . .
C20 Zr2 C11 139.55(12) . .
C15 Zr2 C11 32.19(13) . .
C14 Zr2 C11 53.43(13) . .
C17 Zr2 C11 129.74(14) . .
C13 Zr2 C11 53.52(12) . .
C21 Zr2 C12 105.38(13) . .
C16 Zr2 C12 126.41(13) . .
C20 Zr2 C12 121.59(13) . .
C15 Zr2 C12 53.21(13) . .
C14 Zr2 C12 53.17(13) . .
C17 Zr2 C12 152.13(13) . .
C13 Zr2 C12 32.42(13) . .
C11 Zr2 C12 31.79(13) . .
C21 Zr2 C19 111.32(12) . .
C16 Zr2 C19 53.77(13) . .
C20 Zr2 C19 32.49(12) . .
C15 Zr2 C19 144.28(13) . .
C14 Zr2 C19 118.93(13) . .
C17 Zr2 C19 53.34(13) . .
C13 Zr2 C19 117.26(12) . .
C11 Zr2 C19 170.75(12) . .
C12 Zr2 C19 140.84(13) . .
C21 Zr2 C18 80.90(12) . .
C16 Zr2 C18 53.67(13) . .
C20 Zr2 C18 53.62(13) . .
C15 Zr2 C18 132.89(13) . .
C14 Zr2 C18 128.41(13) . .
C17 Zr2 C18 32.25(13) . .
C13 Zr2 C18 144.09(13) . .
C11 Zr2 C18 155.70(13) . .
C12 Zr2 C18 172.50(13) . .
C19 Zr2 C18 31.88(12) . .
C21 Zr2 P1 37.57(8) . .
C16 Zr2 P1 132.36(11) . .
C20 Zr2 P1 134.15(9) . .
C15 Zr2 P1 107.31(10) . .
C14 Zr2 P1 138.57(10) . .
C17 Zr2 P1 99.88(10) . .
C13 Zr2 P1 130.96(10) . .
C11 Zr2 P1 86.27(9) . .
C12 Zr2 P1 98.64(9) . .
C19 Zr2 P1 102.04(8) . .
C18 Zr2 P1 83.81(9) . .
C21 P1 Zr1 169.18(13) . .
C21 P1 Zr2 58.50(12) . .
Zr1 P1 Zr2 110.72(3) . .
C25 P2 C29 111.83(15) . .
C25 P2 Zr2 132.43(12) . .
C29 P2 Zr2 115.73(11) . .
C23 Si1 C24 110.9(3) . .
C23 Si1 C21 106.34(19) . .
C24 Si1 C21 111.03(18) . .
C23 Si1 C22 110.2(2) . .
C24 Si1 C22 109.6(2) . .
C21 Si1 C22 108.73(18) . .
C28 Si2 C27 106.1(2) . .
C28 Si2 C26 106.0(2) . .
C27 Si2 C26 110.8(2) . .
C28 Si2 C25 111.58(17) . .
C27 Si2 C25 110.70(16) . .
C26 Si2 C25 111.55(17) . .
C41 B1 C32 114.3(3) . .
C41 B1 C35 104.1(3) . .
C32 B1 C35 112.2(3) . .
C41 B1 F15 111.8(3) . .
C32 B1 F15 101.9(3) . .
C35 B1 F15 112.8(3) . .
C5 C1 C2 108.0(3) . .
C5 C1 Zr1 74.1(2) . .
C2 C1 Zr1 72.9(2) . .
C5 C1 H1A 126.0 . .
C2 C1 H1A 126.0 . .
Zr1 C1 H1A 118.9 . .
C3 C2 C1 107.8(4) . .
C3 C2 Zr1 72.2(2) . .
C1 C2 Zr1 74.5(2) . .
C3 C2 H1 126.1 . .
C1 C2 H1 126.1 . .
Zr1 C2 H1 119.1 . .
C2 C3 C4 108.1(3) . .
C2 C3 Zr1 75.1(2) . .
C4 C3 Zr1 74.2(2) . .
C2 C3 H3 125.9 . .
C4 C3 H3 125.9 . .
Zr1 C3 H3 116.8 . .
C5 C4 C3 108.0(4) . .
C5 C4 Zr1 75.6(2) . .
C3 C4 Zr1 72.8(2) . .
C5 C4 H4 126.0 . .
C3 C4 H4 126.0 . .
Zr1 C4 H4 117.6 . .
C4 C5 C1 108.1(4) . .
C4 C5 Zr1 72.0(2) . .
C1 C5 Zr1 73.6(2) . .
C4 C5 H5 126.0 . .
C1 C5 H5 126.0 . .
Zr1 C5 H5 120.3 . .
C10 C6 C7 107.8(3) . .
C10 C6 Zr1 74.6(2) . .
C7 C6 Zr1 74.1(2) . .
C10 C6 H6 126.1 . .
C7 C6 H6 126.1 . .
Zr1 C6 H6 117.3 . .
C8 C7 C6 107.9(3) . .
C8 C7 Zr1 75.4(2) . .
C6 C7 Zr1 72.8(2) . .
C8 C7 H7 126.1 . .
C6 C7 H7 126.1 . .
Zr1 C7 H7 117.7 . .
C7 C8 C9 108.2(3) . .
C7 C8 Zr1 72.1(2) . .
C9 C8 Zr1 73.4(2) . .
C7 C8 H8 125.9 . .
C9 C8 H8 125.9 . .
Zr1 C8 H8 120.3 . .
C10 C9 C8 107.8(3) . .
C10 C9 Zr1 72.9(2) . .
C8 C9 Zr1 74.0(2) . .
C10 C9 H9 126.1 . .
C8 C9 H9 126.1 . .
Zr1 C9 H9 118.9 . .
C9 C10 C6 108.4(3) . .
C9 C10 Zr1 74.8(2) . .
C6 C10 Zr1 72.5(2) . .
C9 C10 H10 125.8 . .
C6 C10 H10 125.8 . .
Zr1 C10 H10 118.8 . .
C12 C11 C15 108.1(3) . .
C12 C11 Zr2 74.2(2) . .
C15 C11 Zr2 72.2(2) . .
C12 C11 H11 126.0 . .
C15 C11 H11 126.0 . .
Zr2 C11 H11 119.5 . .
C11 C12 C13 108.5(3) . .
C11 C12 Zr2 74.0(2) . .
C13 C12 Zr2 72.6(2) . .
C11 C12 H12 125.8 . .
C13 C12 H12 125.8 . .
Zr2 C12 H12 119.4 . .
C14 C13 C12 107.3(3) . .
C14 C13 Zr2 73.5(2) . .
C12 C13 Zr2 75.0(2) . .
C14 C13 H13 126.4 . .
C12 C13 H13 126.4 . .
Zr2 C13 H13 117.3 . .
C13 C14 C15 108.4(3) . .
C13 C14 Zr2 74.3(2) . .
C15 C14 Zr2 73.4(2) . .
C13 C14 H14 125.8 . .
C15 C14 H14 125.8 . .
Zr2 C14 H14 118.5 . .
C11 C15 C14 107.7(4) . .
C11 C15 Zr2 75.6(2) . .
C14 C15 Zr2 73.9(2) . .
C11 C15 H15 126.1 . .
C14 C15 H15 126.1 . .
Zr2 C15 H15 116.5 . .
C17 C16 C20 107.9(4) . .
C17 C16 Zr2 74.5(2) . .
C20 C16 Zr2 73.8(2) . .
C17 C16 H16 126.1 . .
C20 C16 H16 126.1 . .
Zr2 C16 H16 117.6 . .
C16 C17 C18 108.3(4) . .
C16 C17 Zr2 72.9(2) . .
C18 C17 Zr2 75.6(2) . .
C16 C17 H17 125.8 . .
C18 C17 H17 125.8 . .
Zr2 C17 H17 117.6 . .
C19 C18 C17 107.9(3) . .
C19 C18 Zr2 73.9(2) . .
C17 C18 Zr2 72.1(2) . .
C19 C18 H18 126.0 . .
C17 C18 H18 126.0 . .
Zr2 C18 H18 119.8 . .
C18 C19 C20 108.0(3) . .
C18 C19 Zr2 74.2(2) . .
C20 C19 Zr2 71.5(2) . .
C18 C19 H19 126.0 . .
C20 C19 H19 126.0 . .
Zr2 C19 H19 120.1 . .
C16 C20 C19 107.8(3) . .
C16 C20 Zr2 73.4(2) . .
C19 C20 Zr2 76.0(2) . .
C16 C20 H20 126.1 . .
C19 C20 H20 126.1 . .
Zr2 C20 H20 116.7 . .
P1 C21 Si1 125.4(2) . .
P1 C21 Zr2 83.93(14) . .
Si1 C21 Zr2 150.55(18) . .
Si1 C22 H22A 109.5 . .
Si1 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si1 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si1 C23 H23A 109.5 . .
Si1 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si1 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si1 C24 H24A 109.5 . .
Si1 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si1 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
P2 C25 Si2 124.81(18) . .
P2 C25 Zr1 108.98(16) . .
Si2 C25 Zr1 126.17(15) . .
Si2 C26 H26A 109.5 . .
Si2 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si2 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Si2 C27 H27A 109.5 . .
Si2 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Si2 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si2 C28 H28A 109.5 . .
Si2 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si2 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C34 C29 C30 114.7(3) . .
C34 C29 P2 121.8(3) . .
C30 C29 P2 123.5(2) . .
F1 C30 C31 118.5(3) . .
F1 C30 C29 119.0(3) . .
C31 C30 C29 122.5(3) . .
F2 C31 C30 115.7(3) . .
F2 C31 C32 120.6(3) . .
C30 C31 C32 123.7(3) . .
C31 C32 C33 112.5(3) . .
C31 C32 B1 128.2(3) . .
C33 C32 B1 119.0(3) . .
F3 C33 C34 116.2(3) . .
F3 C33 C32 119.4(3) . .
C34 C33 C32 124.4(3) . .
F4 C34 C33 119.0(3) . .
F4 C34 C29 118.9(3) . .
C33 C34 C29 122.1(3) . .
C40 C35 C36 113.3(3) . .
C40 C35 B1 127.8(3) . .
C36 C35 B1 118.8(3) . .
F5 C36 C37 115.9(3) . .
F5 C36 C35 120.3(3) . .
C37 C36 C35 123.8(3) . .
F6 C37 C38 119.6(3) . .
F6 C37 C36 120.5(4) . .
C38 C37 C36 119.9(3) . .
F7 C38 C37 120.7(3) . .
F7 C38 C39 120.3(4) . .
C37 C38 C39 118.9(3) . .
F8 C39 C38 119.7(3) . .
F8 C39 C40 120.4(3) . .
C38 C39 C40 119.8(4) . .
F9 C40 C39 114.9(3) . .
F9 C40 C35 120.9(3) . .
C39 C40 C35 124.2(3) . .
C42 C41 C46 113.1(3) . .
C42 C41 B1 125.1(3) . .
C46 C41 B1 121.5(3) . .
F10 C42 C43 114.8(3) . .
F10 C42 C41 121.0(3) . .
C43 C42 C41 124.2(3) . .
F11 C43 C42 121.1(3) . .
F11 C43 C44 118.9(3) . .
C42 C43 C44 120.0(3) . .
F12 C44 C45 120.8(3) . .
F12 C44 C43 120.2(4) . .
C45 C44 C43 119.0(3) . .
F13 C45 C44 119.5(3) . .
F13 C45 C46 121.1(3) . .
C44 C45 C46 119.4(3) . .
F14 C46 C45 116.8(3) . .
F14 C46 C41 118.8(3) . .
C45 C46 C41 124.4(3) . .
C52 C47 C48 119.6(4) . .
C52 C47 H47 120.2 . .
C48 C47 H47 120.2 . .
C49 C48 C47 119.6(5) . .
C49 C48 H48 120.2 . .
C47 C48 H48 120.2 . .
C48 C49 C50 120.2(5) . .
C48 C49 H49 119.9 . .
C50 C49 H49 119.9 . .
C51 C50 C49 120.3(4) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C50 C51 C52 120.7(5) . .
C50 C51 H51 119.6 . .
C52 C51 H51 119.6 . .
C51 C52 C47 119.5(5) . .
C51 C52 H52 120.2 . .
C47 C52 H52 120.2 . .
C55 C53 C54 121.1(6) . 2_757
C55 C53 H53 120.4 . .
C54 C53 H53 118.5 2_757 .
C53 C54 C55 118.7(7) 2_757 .
C53 C54 H54 120.7 2_757 .
C55 C54 H54 120.7 . .
C53 C55 C54 120.2(6) . .
C53 C55 H55 119.9 . .
C54 C55 H55 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 C25 2.325(3) .
Zr1 C3 2.467(4) .
Zr1 C6 2.475(3) .
Zr1 C4 2.486(3) .
Zr1 C7 2.491(4) .
Zr1 P1 2.4909(9) .
Zr1 C10 2.502(3) .
Zr1 C2 2.504(4) .
Zr1 C1 2.525(4) .
Zr1 C9 2.525(4) .
Zr1 C5 2.532(3) .
Zr1 C8 2.533(4) .
Zr2 C21 2.295(3) .
Zr2 C16 2.494(4) .
Zr2 C20 2.500(4) .
Zr2 C15 2.507(4) .
Zr2 C14 2.513(4) .
Zr2 C17 2.515(4) .
Zr2 C13 2.523(4) .
Zr2 C11 2.550(4) .
Zr2 C12 2.553(4) .
Zr2 C19 2.557(4) .
Zr2 C18 2.560(4) .
Zr2 P1 2.6773(9) .
P1 C21 1.642(3) .
P2 C25 1.650(3) .
P2 C29 1.847(3) .
Si1 C23 1.855(5) .
Si1 C24 1.855(4) .
Si1 C21 1.857(4) .
Si1 C22 1.866(4) .
Si2 C28 1.833(4) .
Si2 C27 1.861(4) .
Si2 C26 1.875(4) .
Si2 C25 1.885(3) .
B1 C41 1.642(5) .
B1 C32 1.645(5) .
B1 C35 1.661(5) .
B1 F15 1.662(7) .
C1 C5 1.406(6) .
C1 C2 1.410(6) .
C1 H1A 0.9500 .
C2 C3 1.404(6) .
C2 H1 0.9500 .
C3 C4 1.408(6) .
C3 H3 0.9500 .
C4 C5 1.402(5) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C10 1.412(5) .
C6 C7 1.413(5) .
C6 H6 0.9500 .
C7 C8 1.404(5) .
C7 H7 0.9500 .
C8 C9 1.418(5) .
C8 H8 0.9500 .
C9 C10 1.400(6) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.398(6) .
C11 C15 1.402(6) .
C11 H11 0.9500 .
C12 C13 1.417(5) .
C12 H12 0.9500 .
C13 C14 1.398(6) .
C13 H13 0.9500 .
C14 C15 1.417(6) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.405(6) .
C16 C20 1.412(6) .
C16 H16 0.9500 .
C17 C18 1.410(6) .
C17 H17 0.9500 .
C18 C19 1.405(5) .
C18 H18 0.9500 .
C19 C20 1.416(5) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C34 1.382(4) .
C29 C30 1.388(5) .
C30 F1 1.359(4) .
C30 C31 1.380(4) .
C31 F2 1.359(4) .
C31 C32 1.391(4) .
C32 C33 1.392(5) .
C33 F3 1.358(4) .
C33 C34 1.379(4) .
C34 F4 1.349(4) .
C35 C40 1.381(5) .
C35 C36 1.397(4) .
C36 F5 1.349(4) .
C36 C37 1.387(5) .
C37 F6 1.347(4) .
C37 C38 1.359(6) .
C38 F7 1.349(4) .
C38 C39 1.374(5) .
C39 F8 1.347(4) .
C39 C40 1.381(5) .
C40 F9 1.356(4) .
C41 C42 1.389(5) .
C41 C46 1.398(5) .
C42 F10 1.355(4) .
C42 C43 1.372(5) .
C43 F11 1.348(4) .
C43 C44 1.375(6) .
C44 F12 1.342(4) .
C44 C45 1.369(5) .
C45 F13 1.344(4) .
C45 C46 1.378(5) .
C46 F14 1.348(4) .
C47 C52 1.378(8) .
C47 C48 1.399(8) .
C47 H47 0.9500 .
C48 C49 1.363(7) .
C48 H48 0.9500 .
C49 C50 1.369(7) .
C49 H49 0.9500 .
C50 C51 1.364(6) .
C50 H50 0.9500 .
C51 C52 1.369(7) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 C55 1.371(10) .
C53 C54 1.388(8) 2_757
C53 H53 0.9381 .
C54 C53 1.388(8) 2_757
C54 C55 1.392(8) .
C54 H54 0.9500 .
C55 H55 0.9500 .
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
C25 Zr1 P1 C21 -7.5(7) .
C3 Zr1 P1 C21 -123.8(7) .
C6 Zr1 P1 C21 110.2(7) .
C4 Zr1 P1 C21 -144.8(7) .
C7 Zr1 P1 C21 131.7(7) .
C10 Zr1 P1 C21 74.5(7) .
C2 Zr1 P1 C21 -88.3(7) .
C1 Zr1 P1 C21 -94.1(7) .
C9 Zr1 P1 C21 80.9(7) .
C5 Zr1 P1 C21 -126.0(7) .
C8 Zr1 P1 C21 113.1(7) .
C25 Zr1 P1 Zr2 -3.28(9) .
C3 Zr1 P1 Zr2 -119.65(14) .
C6 Zr1 P1 Zr2 114.34(12) .
C4 Zr1 P1 Zr2 -140.61(10) .
C7 Zr1 P1 Zr2 135.93(9) .
C10 Zr1 P1 Zr2 78.64(10) .
C2 Zr1 P1 Zr2 -84.11(10) .
C1 Zr1 P1 Zr2 -89.88(9) .
C9 Zr1 P1 Zr2 85.04(9) .
C5 Zr1 P1 Zr2 -121.81(10) .
C8 Zr1 P1 Zr2 117.27(9) .
C16 Zr2 P1 C21 58.0(2) .
C20 Zr2 P1 C21 103.6(2) .
C15 Zr2 P1 C21 -49.99(18) .
C14 Zr2 P1 C21 -62.1(2) .
C17 Zr2 P1 C21 55.04(18) .
C13 Zr2 P1 C21 -106.94(19) .
C11 Zr2 P1 C21 -74.67(17) .
C12 Zr2 P1 C21 -104.03(17) .
C19 Zr2 P1 C21 109.42(17) .
C18 Zr2 P1 C21 83.11(17) .
C21 Zr2 P1 Zr1 -179.08(16) .
C16 Zr2 P1 Zr1 -121.11(14) .
C20 Zr2 P1 Zr1 -75.48(14) .
C15 Zr2 P1 Zr1 130.93(10) .
C14 Zr2 P1 Zr1 118.80(15) .
C17 Zr2 P1 Zr1 -124.04(10) .
C13 Zr2 P1 Zr1 73.98(13) .
C11 Zr2 P1 Zr1 106.25(10) .
C12 Zr2 P1 Zr1 76.88(9) .
C19 Zr2 P1 Zr1 -69.67(10) .
C18 Zr2 P1 Zr1 -95.97(10) .
C21 Zr2 P2 C25 -9.5(2) .
C16 Zr2 P2 C25 128.7(2) .
C20 Zr2 P2 C25 127.93(18) .
C15 Zr2 P2 C25 -113.6(2) .
C14 Zr2 P2 C25 -146.83(19) .
C17 Zr2 P2 C25 90.1(2) .
C13 Zr2 P2 C25 -141.03(19) .
C11 Zr2 P2 C25 -91.87(18) .
C12 Zr2 P2 C25 -108.17(18) .
C19 Zr2 P2 C25 97.20(18) .
C18 Zr2 P2 C25 75.44(18) .
P1 Zr2 P2 C25 -7.08(16) .
C21 Zr2 P2 C29 169.42(16) .
C16 Zr2 P2 C29 -52.40(17) .
C20 Zr2 P2 C29 -53.13(15) .
C15 Zr2 P2 C29 65.35(17) .
C14 Zr2 P2 C29 32.12(16) .
C17 Zr2 P2 C29 -90.98(17) .
C13 Zr2 P2 C29 37.91(15) .
C11 Zr2 P2 C29 87.08(15) .
C12 Zr2 P2 C29 70.77(15) .
C19 Zr2 P2 C29 -83.86(15) .
C18 Zr2 P2 C29 -105.62(15) .
P1 Zr2 P2 C29 171.86(12) .
C25 Zr1 C1 C5 -179.2(2) .
C3 Zr1 C1 C5 77.8(2) .
C6 Zr1 C1 C5 78.4(3) .
C4 Zr1 C1 C5 36.7(2) .
C7 Zr1 C1 C5 30.3(3) .
P1 Zr1 C1 C5 -74.6(2) .
C10 Zr1 C1 C5 132.0(3) .
C2 Zr1 C1 C5 115.1(3) .
C9 Zr1 C1 C5 -99.3(6) .
C8 Zr1 C1 C5 -18.0(4) .
C25 Zr1 C1 C2 65.7(2) .
C3 Zr1 C1 C2 -37.3(2) .
C6 Zr1 C1 C2 -36.6(3) .
C4 Zr1 C1 C2 -78.4(2) .
C7 Zr1 C1 C2 -84.8(3) .
P1 Zr1 C1 C2 170.3(2) .
C10 Zr1 C1 C2 16.9(4) .
C9 Zr1 C1 C2 145.6(6) .
C5 Zr1 C1 C2 -115.1(3) .
C8 Zr1 C1 C2 -133.1(3) .
C5 C1 C2 C3 -1.4(4) .
Zr1 C1 C2 C3 65.0(3) .
C5 C1 C2 Zr1 -66.4(3) .
C25 Zr1 C2 C3 135.1(3) .
C6 Zr1 C2 C3 39.9(3) .
C4 Zr1 C2 C3 -37.7(2) .
C7 Zr1 C2 C3 6.1(3) .
P1 Zr1 C2 C3 -125.7(2) .
C10 Zr1 C2 C3 73.1(3) .
C1 Zr1 C2 C3 -114.9(3) .
C9 Zr1 C2 C3 82.5(4) .
C5 Zr1 C2 C3 -78.1(2) .
C8 Zr1 C2 C3 -4.4(5) .
C25 Zr1 C2 C1 -109.9(2) .
C3 Zr1 C2 C1 114.9(3) .
C6 Zr1 C2 C1 154.9(2) .
C4 Zr1 C2 C1 77.2(2) .
C7 Zr1 C2 C1 121.1(2) .
P1 Zr1 C2 C1 -10.7(2) .
C10 Zr1 C2 C1 -171.9(2) .
C9 Zr1 C2 C1 -162.6(3) .
C5 Zr1 C2 C1 36.8(2) .
C8 Zr1 C2 C1 110.5(3) .
C1 C2 C3 C4 0.8(4) .
Zr1 C2 C3 C4 67.4(3) .
C1 C2 C3 Zr1 -66.6(3) .
C25 Zr1 C3 C2 -43.8(2) .
C6 Zr1 C3 C2 -142.6(3) .
C4 Zr1 C3 C2 114.2(3) .
C7 Zr1 C3 C2 -174.9(2) .
P1 Zr1 C3 C2 74.5(3) .
C10 Zr1 C3 C2 -122.9(2) .
C1 Zr1 C3 C2 37.0(2) .
C9 Zr1 C3 C2 -143.9(2) .
C5 Zr1 C3 C2 77.1(3) .
C8 Zr1 C3 C2 177.8(2) .
C25 Zr1 C3 C4 -158.1(2) .
C6 Zr1 C3 C4 103.2(2) .
C7 Zr1 C3 C4 70.9(2) .
P1 Zr1 C3 C4 -39.7(3) .
C10 Zr1 C3 C4 122.9(2) .
C2 Zr1 C3 C4 -114.2(3) .
C1 Zr1 C3 C4 -77.2(3) .
C9 Zr1 C3 C4 101.9(3) .
C5 Zr1 C3 C4 -37.1(2) .
C8 Zr1 C3 C4 63.6(3) .
C2 C3 C4 C5 0.0(4) .
Zr1 C3 C4 C5 68.0(3) .
C2 C3 C4 Zr1 -68.0(3) .
C25 Zr1 C4 C5 -85.9(3) .
C3 Zr1 C4 C5 -114.4(4) .
C6 Zr1 C4 C5 170.1(3) .
C7 Zr1 C4 C5 138.9(3) .
P1 Zr1 C4 C5 35.8(3) .
C10 Zr1 C4 C5 172.3(2) .
C2 Zr1 C4 C5 -77.0(3) .
C1 Zr1 C4 C5 -36.5(2) .
C9 Zr1 C4 C5 131.7(3) .
C8 Zr1 C4 C5 116.7(3) .
C25 Zr1 C4 C3 28.5(3) .
C6 Zr1 C4 C3 -75.5(2) .
C7 Zr1 C4 C3 -106.7(2) .
P1 Zr1 C4 C3 150.2(2) .
C10 Zr1 C4 C3 -73.3(3) .
C2 Zr1 C4 C3 37.5(2) .
C1 Zr1 C4 C3 77.9(3) .
C9 Zr1 C4 C3 -113.9(3) .
C5 Zr1 C4 C3 114.4(4) .
C8 Zr1 C4 C3 -128.8(2) .
C3 C4 C5 C1 -0.9(4) .
Zr1 C4 C5 C1 65.2(3) .
C3 C4 C5 Zr1 -66.1(3) .
C2 C1 C5 C4 1.4(4) .
Zr1 C1 C5 C4 -64.2(3) .
C2 C1 C5 Zr1 65.6(3) .
C25 Zr1 C5 C4 116.7(2) .
C3 Zr1 C5 C4 37.8(2) .
C6 Zr1 C5 C4 -12.0(3) .
C7 Zr1 C5 C4 -42.1(3) .
P1 Zr1 C5 C4 -144.2(3) .
C10 Zr1 C5 C4 -16.1(5) .
C2 Zr1 C5 C4 78.7(3) .
C1 Zr1 C5 C4 115.8(4) .
C9 Zr1 C5 C4 -87.0(3) .
C8 Zr1 C5 C4 -74.8(3) .
C25 Zr1 C5 C1 0.9(3) .
C3 Zr1 C5 C1 -78.0(3) .
C6 Zr1 C5 C1 -127.8(2) .
C4 Zr1 C5 C1 -115.8(4) .
C7 Zr1 C5 C1 -158.0(2) .
P1 Zr1 C5 C1 99.9(2) .
C10 Zr1 C5 C1 -132.0(3) .
C2 Zr1 C5 C1 -37.2(2) .
C9 Zr1 C5 C1 157.2(2) .
C8 Zr1 C5 C1 169.4(2) .
C25 Zr1 C6 C10 46.0(2) .
C3 Zr1 C6 C10 144.6(2) .
C4 Zr1 C6 C10 176.6(2) .
C7 Zr1 C6 C10 -114.1(3) .
P1 Zr1 C6 C10 -73.5(2) .
C2 Zr1 C6 C10 124.1(2) .
C1 Zr1 C6 C10 144.0(2) .
C9 Zr1 C6 C10 -36.5(2) .
C5 Zr1 C6 C10 -177.0(2) .
C8 Zr1 C6 C10 -77.0(2) .
C25 Zr1 C6 C7 160.2(2) .
C3 Zr1 C6 C7 -101.3(2) .
C4 Zr1 C6 C7 -69.2(2) .
P1 Zr1 C6 C7 40.7(3) .
C10 Zr1 C6 C7 114.1(3) .
C2 Zr1 C6 C7 -121.8(2) .
C1 Zr1 C6 C7 -101.8(3) .
C9 Zr1 C6 C7 77.6(2) .
C5 Zr1 C6 C7 -62.8(3) .
C8 Zr1 C6 C7 37.1(2) .
C10 C6 C7 C8 -0.4(4) .
Zr1 C6 C7 C8 -67.9(3) .
C10 C6 C7 Zr1 67.5(2) .
C25 Zr1 C7 C8 88.3(3) .
C3 Zr1 C7 C8 -168.5(2) .
C6 Zr1 C7 C8 114.3(3) .
C4 Zr1 C7 C8 -137.1(2) .
P1 Zr1 C7 C8 -35.7(2) .
C10 Zr1 C7 C8 76.7(2) .
C2 Zr1 C7 C8 -171.8(2) .
C1 Zr1 C7 C8 -131.9(2) .
C9 Zr1 C7 C8 36.6(2) .
C5 Zr1 C7 C8 -115.7(2) .
C25 Zr1 C7 C6 -26.0(3) .
C3 Zr1 C7 C6 77.1(2) .
C4 Zr1 C7 C6 108.6(2) .
P1 Zr1 C7 C6 -150.0(2) .
C10 Zr1 C7 C6 -37.6(2) .
C2 Zr1 C7 C6 73.8(3) .
C1 Zr1 C7 C6 113.8(3) .
C9 Zr1 C7 C6 -77.7(2) .
C5 Zr1 C7 C6 130.0(2) .
C8 Zr1 C7 C6 -114.3(3) .
C6 C7 C8 C9 1.1(4) .
Zr1 C7 C8 C9 -65.1(3) .
C6 C7 C8 Zr1 66.2(3) .
C25 Zr1 C8 C7 -115.5(2) .
C3 Zr1 C8 C7 13.6(3) .
C6 Zr1 C8 C7 -37.9(2) .
C4 Zr1 C8 C7 43.9(2) .
P1 Zr1 C8 C7 144.8(2) .
C10 Zr1 C8 C7 -79.0(2) .
C2 Zr1 C8 C7 16.5(4) .
C1 Zr1 C8 C7 86.8(3) .
C9 Zr1 C8 C7 -116.0(3) .
C5 Zr1 C8 C7 76.2(2) .
C25 Zr1 C8 C9 0.4(3) .
C3 Zr1 C8 C9 129.6(2) .
C6 Zr1 C8 C9 78.1(2) .
C4 Zr1 C8 C9 159.9(2) .
C7 Zr1 C8 C9 116.0(3) .
P1 Zr1 C8 C9 -99.2(2) .
C10 Zr1 C8 C9 37.0(2) .
C2 Zr1 C8 C9 132.4(3) .
C1 Zr1 C8 C9 -157.2(2) .
C5 Zr1 C8 C9 -167.8(2) .
C7 C8 C9 C10 -1.4(4) .
Zr1 C8 C9 C10 -65.6(2) .
C7 C8 C9 Zr1 64.2(3) .
C25 Zr1 C9 C10 -64.8(2) .
C3 Zr1 C9 C10 38.9(3) .
C6 Zr1 C9 C10 37.3(2) .
C4 Zr1 C9 C10 87.1(3) .
C7 Zr1 C9 C10 78.3(2) .
P1 Zr1 C9 C10 -169.3(2) .
C2 Zr1 C9 C10 -14.4(4) .
C1 Zr1 C9 C10 -144.6(6) .
C5 Zr1 C9 C10 135.5(2) .
C8 Zr1 C9 C10 114.8(3) .
C25 Zr1 C9 C8 -179.6(2) .
C3 Zr1 C9 C8 -75.9(3) .
C6 Zr1 C9 C8 -77.5(2) .
C4 Zr1 C9 C8 -27.7(3) .
C7 Zr1 C9 C8 -36.5(2) .
P1 Zr1 C9 C8 75.9(2) .
C10 Zr1 C9 C8 -114.8(3) .
C2 Zr1 C9 C8 -129.2(3) .
C1 Zr1 C9 C8 100.6(6) .
C5 Zr1 C9 C8 20.7(3) .
C8 C9 C10 C6 1.2(4) .
Zr1 C9 C10 C6 -65.2(2) .
C8 C9 C10 Zr1 66.4(3) .
C7 C6 C10 C9 -0.5(4) .
Zr1 C6 C10 C9 66.7(2) .
C7 C6 C10 Zr1 -67.2(3) .
C25 Zr1 C10 C9 111.5(2) .
C3 Zr1 C10 C9 -153.3(2) .
C6 Zr1 C10 C9 -115.4(3) .
C4 Zr1 C10 C9 -119.5(2) .
C7 Zr1 C10 C9 -77.6(2) .
P1 Zr1 C10 C9 12.0(2) .
C2 Zr1 C10 C9 173.1(2) .
C1 Zr1 C10 C9 162.1(3) .
C5 Zr1 C10 C9 -109.0(4) .
C8 Zr1 C10 C9 -37.3(2) .
C25 Zr1 C10 C6 -133.1(2) .
C3 Zr1 C10 C6 -38.0(3) .
C4 Zr1 C10 C6 -4.1(3) .
C7 Zr1 C10 C6 37.8(2) .
P1 Zr1 C10 C6 127.4(2) .
C2 Zr1 C10 C6 -71.5(3) .
C1 Zr1 C10 C6 -82.5(4) .
C9 Zr1 C10 C6 115.4(3) .
C5 Zr1 C10 C6 6.4(5) .
C8 Zr1 C10 C6 78.1(2) .
C21 Zr2 C11 C12 -150.0(2) .
C16 Zr2 C11 C12 107.3(2) .
C20 Zr2 C11 C12 68.9(3) .
C15 Zr2 C11 C12 115.4(3) .
C14 Zr2 C11 C12 77.3(2) .
C17 Zr2 C11 C12 147.2(2) .
C13 Zr2 C11 C12 36.9(2) .
C19 Zr2 C11 C12 41.3(9) .
C18 Zr2 C11 C12 -179.0(3) .
P1 Zr2 C11 C12 -113.0(2) .
C21 Zr2 C11 C15 94.6(2) .
C16 Zr2 C11 C15 -8.1(3) .
C20 Zr2 C11 C15 -46.5(3) .
C14 Zr2 C11 C15 -38.1(2) .
C17 Zr2 C11 C15 31.8(3) .
C13 Zr2 C11 C15 -78.5(3) .
C12 Zr2 C11 C15 -115.4(3) .
C19 Zr2 C11 C15 -74.1(8) .
C18 Zr2 C11 C15 65.6(4) .
P1 Zr2 C11 C15 131.6(2) .
C15 C11 C12 C13 -0.2(4) .
Zr2 C11 C12 C13 -64.9(3) .
C15 C11 C12 Zr2 64.8(3) .
C21 Zr2 C12 C11 30.4(2) .
C16 Zr2 C12 C11 -95.2(3) .
C20 Zr2 C12 C11 -134.7(2) .
C15 Zr2 C12 C11 -36.9(2) .
C14 Zr2 C12 C11 -78.2(2) .
C17 Zr2 C12 C11 -62.9(4) .
C13 Zr2 C12 C11 -115.8(3) .
C19 Zr2 C12 C11 -170.3(2) .
C18 Zr2 C12 C11 176.9(8) .
P1 Zr2 C12 C11 68.3(2) .
C21 Zr2 C12 C13 146.3(2) .
C16 Zr2 C12 C13 20.6(3) .
C20 Zr2 C12 C13 -18.9(3) .
C15 Zr2 C12 C13 78.9(2) .
C14 Zr2 C12 C13 37.6(2) .
C17 Zr2 C12 C13 52.9(4) .
C11 Zr2 C12 C13 115.8(3) .
C19 Zr2 C12 C13 -54.5(3) .
C18 Zr2 C12 C13 -67.3(10) .
P1 Zr2 C12 C13 -175.9(2) .
C11 C12 C13 C14 -1.1(4) .
Zr2 C12 C13 C14 -66.9(3) .
C11 C12 C13 Zr2 65.8(3) .
C21 Zr2 C13 C14 68.6(3) .
C16 Zr2 C13 C14 -49.9(3) .
C20 Zr2 C13 C14 -82.4(3) .
C15 Zr2 C13 C14 37.3(2) .
C17 Zr2 C13 C14 -38.7(3) .
C11 Zr2 C13 C14 77.5(3) .
C12 Zr2 C13 C14 113.6(3) .
C19 Zr2 C13 C14 -101.7(2) .
C18 Zr2 C13 C14 -78.2(3) .
P1 Zr2 C13 C14 119.0(2) .
C21 Zr2 C13 C12 -45.1(3) .
C16 Zr2 C13 C12 -163.5(2) .
C20 Zr2 C13 C12 164.0(2) .
C15 Zr2 C13 C12 -76.3(2) .
C14 Zr2 C13 C12 -113.6(3) .
C17 Zr2 C13 C12 -152.4(2) .
C11 Zr2 C13 C12 -36.1(2) .
C19 Zr2 C13 C12 144.7(2) .
C18 Zr2 C13 C12 168.2(2) .
P1 Zr2 C13 C12 5.4(3) .
C12 C13 C14 C15 2.0(4) .
Zr2 C13 C14 C15 -66.0(3) .
C12 C13 C14 Zr2 67.9(3) .
C21 Zr2 C14 C13 -129.6(2) .
C16 Zr2 C14 C13 128.0(3) .
C20 Zr2 C14 C13 96.7(3) .
C15 Zr2 C14 C13 -115.2(4) .
C17 Zr2 C14 C13 149.3(2) .
C11 Zr2 C14 C13 -77.8(3) .
C12 Zr2 C14 C13 -37.9(2) .
C19 Zr2 C14 C13 96.0(3) .
C18 Zr2 C14 C13 132.9(2) .
P1 Zr2 C14 C13 -93.5(3) .
C21 Zr2 C14 C15 -14.4(3) .
C16 Zr2 C14 C15 -116.8(3) .
C20 Zr2 C14 C15 -148.0(3) .
C17 Zr2 C14 C15 -95.5(3) .
C13 Zr2 C14 C15 115.2(4) .
C11 Zr2 C14 C15 37.4(2) .
C12 Zr2 C14 C15 77.4(3) .
C19 Zr2 C14 C15 -148.8(2) .
C18 Zr2 C14 C15 -111.9(3) .
P1 Zr2 C14 C15 21.8(3) .
C12 C11 C15 C14 1.4(4) .
Zr2 C11 C15 C14 67.5(3) .
C12 C11 C15 Zr2 -66.1(3) .
C13 C14 C15 C11 -2.1(4) .
Zr2 C14 C15 C11 -68.7(3) .
C13 C14 C15 Zr2 66.6(3) .
C21 Zr2 C15 C11 -79.6(2) .
C16 Zr2 C15 C11 173.2(2) .
C20 Zr2 C15 C11 149.0(2) .
C14 Zr2 C15 C11 113.6(3) .
C17 Zr2 C15 C11 -155.6(2) .
C13 Zr2 C15 C11 77.0(3) .
C12 Zr2 C15 C11 36.4(2) .
C19 Zr2 C15 C11 164.6(2) .
C18 Zr2 C15 C11 -149.2(2) .
P1 Zr2 C15 C11 -51.5(2) .
C21 Zr2 C15 C14 166.8(3) .
C16 Zr2 C15 C14 59.6(3) .
C20 Zr2 C15 C14 35.3(3) .
C17 Zr2 C15 C14 90.7(3) .
C13 Zr2 C15 C14 -36.6(2) .
C11 Zr2 C15 C14 -113.6(3) .
C12 Zr2 C15 C14 -77.2(3) .
C19 Zr2 C15 C14 51.0(3) .
C18 Zr2 C15 C14 97.1(3) .
P1 Zr2 C15 C14 -165.1(2) .
C21 Zr2 C16 C17 27.4(3) .
C20 Zr2 C16 C17 -114.4(4) .
C15 Zr2 C16 C17 109.4(3) .
C14 Zr2 C16 C17 138.3(3) .
C13 Zr2 C16 C17 163.2(3) .
C11 Zr2 C16 C17 113.7(3) .
C12 Zr2 C16 C17 152.3(2) .
C19 Zr2 C16 C17 -76.8(3) .
C18 Zr2 C16 C17 -37.0(2) .
P1 Zr2 C16 C17 -5.4(3) .
C21 Zr2 C16 C20 141.8(2) .
C15 Zr2 C16 C20 -136.3(2) .
C14 Zr2 C16 C20 -107.4(3) .
C17 Zr2 C16 C20 114.4(4) .
C13 Zr2 C16 C20 -82.4(2) .
C11 Zr2 C16 C20 -132.0(2) .
C12 Zr2 C16 C20 -93.3(3) .
C19 Zr2 C16 C20 37.5(2) .
C18 Zr2 C16 C20 77.4(3) .
P1 Zr2 C16 C20 109.0(2) .
C20 C16 C17 C18 1.1(5) .
Zr2 C16 C17 C18 67.9(3) .
C20 C16 C17 Zr2 -66.8(3) .
C21 Zr2 C17 C16 -153.3(3) .
C20 Zr2 C17 C16 37.6(2) .
C15 Zr2 C17 C16 -74.0(3) .
C14 Zr2 C17 C16 -40.7(3) .
C13 Zr2 C17 C16 -20.9(3) .
C11 Zr2 C17 C16 -90.6(3) .
C12 Zr2 C17 C16 -53.1(4) .
C19 Zr2 C17 C16 78.3(3) .
C18 Zr2 C17 C16 114.7(4) .
P1 Zr2 C17 C16 176.0(2) .
C21 Zr2 C17 C18 92.0(2) .
C16 Zr2 C17 C18 -114.7(4) .
C20 Zr2 C17 C18 -77.1(2) .
C15 Zr2 C17 C18 171.2(2) .
C14 Zr2 C17 C18 -155.4(2) .
C13 Zr2 C17 C18 -135.6(2) .
C11 Zr2 C17 C18 154.6(2) .
C12 Zr2 C17 C18 -167.8(3) .
C19 Zr2 C17 C18 -36.5(2) .
P1 Zr2 C17 C18 61.2(2) .
C16 C17 C18 C19 -0.3(4) .
Zr2 C17 C18 C19 65.8(3) .
C16 C17 C18 Zr2 -66.1(3) .
C21 Zr2 C18 C19 162.7(2) .
C16 Zr2 C18 C19 -78.1(2) .
C20 Zr2 C18 C19 -37.0(2) .
C15 Zr2 C18 C19 -127.2(2) .
C14 Zr2 C18 C19 -83.9(3) .
C17 Zr2 C18 C19 -115.4(3) .
C13 Zr2 C18 C19 -42.1(3) .
C11 Zr2 C18 C19 -168.6(3) .
C12 Zr2 C18 C19 15.3(10) .
P1 Zr2 C18 C19 124.9(2) .
C21 Zr2 C18 C17 -81.9(2) .
C16 Zr2 C18 C17 37.4(2) .
C20 Zr2 C18 C17 78.5(3) .
C15 Zr2 C18 C17 -11.8(3) .
C14 Zr2 C18 C17 31.5(3) .
C13 Zr2 C18 C17 73.3(3) .
C11 Zr2 C18 C17 -53.2(4) .
C12 Zr2 C18 C17 130.8(9) .
C19 Zr2 C18 C17 115.4(3) .
P1 Zr2 C18 C17 -119.7(2) .
C17 C18 C19 C20 -0.6(4) .
Zr2 C18 C19 C20 64.0(3) .
C17 C18 C19 Zr2 -64.6(3) .
C21 Zr2 C19 C18 -18.4(2) .
C16 Zr2 C19 C18 77.7(2) .
C20 Zr2 C19 C18 115.7(3) .
C15 Zr2 C19 C18 88.4(3) .
C14 Zr2 C19 C18 117.1(2) .
C17 Zr2 C19 C18 36.9(2) .
C13 Zr2 C19 C18 153.7(2) .
C11 Zr2 C19 C18 149.7(7) .
C12 Zr2 C19 C18 -176.9(2) .
P1 Zr2 C19 C18 -56.5(2) .
C21 Zr2 C19 C20 -134.1(2) .
C16 Zr2 C19 C20 -38.0(2) .
C15 Zr2 C19 C20 -27.3(3) .
C14 Zr2 C19 C20 1.4(3) .
C17 Zr2 C19 C20 -78.8(3) .
C13 Zr2 C19 C20 38.0(3) .
C11 Zr2 C19 C20 34.0(9) .
C12 Zr2 C19 C20 67.4(3) .
C18 Zr2 C19 C20 -115.7(3) .
P1 Zr2 C19 C20 -172.2(2) .
C17 C16 C20 C19 -1.5(4) .
Zr2 C16 C20 C19 -68.8(3) .
C17 C16 C20 Zr2 67.3(3) .
C18 C19 C20 C16 1.3(4) .
Zr2 C19 C20 C16 67.0(3) .
C18 C19 C20 Zr2 -65.7(3) .
C21 Zr2 C20 C16 -51.5(3) .
C15 Zr2 C20 C16 49.1(3) .
C14 Zr2 C20 C16 67.4(3) .
C17 Zr2 C20 C16 -37.3(2) .
C13 Zr2 C20 C16 99.4(3) .
C11 Zr2 C20 C16 74.2(3) .
C12 Zr2 C20 C16 109.4(3) .
C19 Zr2 C20 C16 -113.8(3) .
C18 Zr2 C20 C16 -77.6(3) .
P1 Zr2 C20 C16 -103.2(2) .
C21 Zr2 C20 C19 62.3(3) .
C16 Zr2 C20 C19 113.8(3) .
C15 Zr2 C20 C19 162.9(2) .
C14 Zr2 C20 C19 -178.8(2) .
C17 Zr2 C20 C19 76.5(3) .
C13 Zr2 C20 C19 -146.8(2) .
C11 Zr2 C20 C19 -172.0(2) .
C12 Zr2 C20 C19 -136.8(2) .
C18 Zr2 C20 C19 36.2(2) .
P1 Zr2 C20 C19 10.6(3) .
Zr1 P1 C21 Si1 -172.2(5) .
Zr2 P1 C21 Si1 -176.8(3) .
Zr1 P1 C21 Zr2 4.6(8) .
C23 Si1 C21 P1 82.0(3) .
C24 Si1 C21 P1 -157.3(3) .
C22 Si1 C21 P1 -36.6(3) .
C23 Si1 C21 Zr2 -91.5(4) .
C24 Si1 C21 Zr2 29.2(5) .
C22 Si1 C21 Zr2 149.9(4) .
C16 Zr2 C21 P1 -139.03(15) .
C20 Zr2 C21 P1 -112.65(17) .
C15 Zr2 C21 P1 132.41(16) .
C14 Zr2 C21 P1 140.21(14) .
C17 Zr2 C21 P1 -124.36(16) .
C13 Zr2 C21 P1 107.32(17) .
C11 Zr2 C21 P1 99.99(15) .
C12 Zr2 C21 P1 84.14(15) .
C19 Zr2 C21 P1 -81.95(16) .
C18 Zr2 C21 P1 -91.67(15) .
C16 Zr2 C21 Si1 35.7(4) .
C20 Zr2 C21 Si1 62.1(4) .
C15 Zr2 C21 Si1 -52.9(4) .
C14 Zr2 C21 Si1 -45.1(4) .
C17 Zr2 C21 Si1 50.3(4) .
C13 Zr2 C21 Si1 -78.0(4) .
C11 Zr2 C21 Si1 -85.3(4) .
C12 Zr2 C21 Si1 -101.2(4) .
C19 Zr2 C21 Si1 92.7(4) .
C18 Zr2 C21 Si1 83.0(4) .
P1 Zr2 C21 Si1 174.7(5) .
C29 P2 C25 Si2 5.0(3) .
Zr2 P2 C25 Si2 -176.05(11) .
C29 P2 C25 Zr1 -173.09(14) .
Zr2 P2 C25 Zr1 5.9(2) .
C28 Si2 C25 P2 172.6(2) .
C27 Si2 C25 P2 54.8(3) .
C26 Si2 C25 P2 -69.0(3) .
C28 Si2 C25 Zr1 -9.6(3) .
C27 Si2 C25 Zr1 -127.5(2) .
C26 Si2 C25 Zr1 108.7(2) .
C3 Zr1 C25 P2 135.66(17) .
C6 Zr1 C25 P2 -139.15(17) .
C4 Zr1 C25 P2 120.37(17) .
C7 Zr1 C25 P2 -125.13(17) .
P1 Zr1 C25 P2 -0.91(17) .
C10 Zr1 C25 P2 -115.40(18) .
C2 Zr1 C25 P2 112.88(19) .
C1 Zr1 C25 P2 82.47(18) .
C9 Zr1 C25 P2 -85.56(17) .
C5 Zr1 C25 P2 82.00(19) .
C8 Zr1 C25 P2 -85.80(19) .
C3 Zr1 C25 Si2 -42.4(2) .
C6 Zr1 C25 Si2 42.8(2) .
C4 Zr1 C25 Si2 -57.7(2) .
C7 Zr1 C25 Si2 56.8(3) .
P1 Zr1 C25 Si2 -178.94(16) .
C10 Zr1 C25 Si2 66.6(2) .
C2 Zr1 C25 Si2 -65.2(2) .
C1 Zr1 C25 Si2 -95.6(2) .
C9 Zr1 C25 Si2 96.4(2) .
C5 Zr1 C25 Si2 -96.0(2) .
C8 Zr1 C25 Si2 96.2(2) .
C25 P2 C29 C34 -101.7(3) .
Zr2 P2 C29 C34 79.2(3) .
C25 P2 C29 C30 80.8(3) .
Zr2 P2 C29 C30 -98.3(3) .
C34 C29 C30 F1 -178.5(3) .
P2 C29 C30 F1 -0.8(4) .
C34 C29 C30 C31 2.4(5) .
P2 C29 C30 C31 -179.9(3) .
F1 C30 C31 F2 -1.6(4) .
C29 C30 C31 F2 177.5(3) .
F1 C30 C31 C32 178.7(3) .
C29 C30 C31 C32 -2.2(5) .
F2 C31 C32 C33 -178.4(3) .
C30 C31 C32 C33 1.3(5) .
F2 C31 C32 B1 -3.8(5) .
C30 C31 C32 B1 175.8(3) .
C41 B1 C32 C31 10.4(5) .
C35 B1 C32 C31 128.8(3) .
F15 B1 C32 C31 -110.3(4) .
C41 B1 C32 C33 -175.3(3) .
C35 B1 C32 C33 -57.0(4) .
F15 B1 C32 C33 64.0(4) .
C31 C32 C33 F3 179.5(3) .
B1 C32 C33 F3 4.4(5) .
C31 C32 C33 C34 -0.9(5) .
B1 C32 C33 C34 -176.0(3) .
F3 C33 C34 F4 0.3(5) .
C32 C33 C34 F4 -179.3(3) .
F3 C33 C34 C29 -179.0(3) .
C32 C33 C34 C29 1.4(5) .
C30 C29 C34 F4 178.7(3) .
P2 C29 C34 F4 1.0(4) .
C30 C29 C34 C33 -2.0(5) .
P2 C29 C34 C33 -179.8(3) .
C41 B1 C35 C40 107.9(4) .
C32 B1 C35 C40 -16.2(5) .
F15 B1 C35 C40 -130.7(4) .
C41 B1 C35 C36 -68.1(4) .
C32 B1 C35 C36 167.7(3) .
F15 B1 C35 C36 53.3(4) .
C40 C35 C36 F5 -178.1(3) .
B1 C35 C36 F5 -1.5(5) .
C40 C35 C36 C37 1.3(5) .
B1 C35 C36 C37 177.9(3) .
F5 C36 C37 F6 0.5(5) .
C35 C36 C37 F6 -178.9(3) .
F5 C36 C37 C38 179.0(3) .
C35 C36 C37 C38 -0.4(6) .
F6 C37 C38 F7 -0.5(6) .
C36 C37 C38 F7 -179.0(3) .
F6 C37 C38 C39 178.4(3) .
C36 C37 C38 C39 -0.1(6) .
F7 C38 C39 F8 0.0(6) .
C37 C38 C39 F8 -178.9(3) .
F7 C38 C39 C40 178.6(3) .
C37 C38 C39 C40 -0.3(6) .
F8 C39 C40 F9 0.5(5) .
C38 C39 C40 F9 -178.0(3) .
F8 C39 C40 C35 179.9(3) .
C38 C39 C40 C35 1.3(6) .
C36 C35 C40 F9 177.6(3) .
B1 C35 C40 F9 1.4(5) .
C36 C35 C40 C39 -1.7(5) .
B1 C35 C40 C39 -177.9(3) .
C32 B1 C41 C42 -122.7(3) .
C35 B1 C41 C42 114.5(3) .
F15 B1 C41 C42 -7.6(5) .
C32 B1 C41 C46 64.1(4) .
C35 B1 C41 C46 -58.7(4) .
F15 B1 C41 C46 179.2(3) .
C46 C41 C42 F10 -179.4(3) .
B1 C41 C42 F10 7.0(5) .
C46 C41 C42 C43 1.2(5) .
B1 C41 C42 C43 -172.4(3) .
F10 C42 C43 F11 -0.7(5) .
C41 C42 C43 F11 178.8(3) .
F10 C42 C43 C44 179.5(3) .
C41 C42 C43 C44 -1.1(5) .
F11 C43 C44 F12 0.5(5) .
C42 C43 C44 F12 -179.6(3) .
F11 C43 C44 C45 -179.9(3) .
C42 C43 C44 C45 -0.1(5) .
F12 C44 C45 F13 -0.3(5) .
C43 C44 C45 F13 -179.8(3) .
F12 C44 C45 C46 -179.5(3) .
C43 C44 C45 C46 1.0(5) .
F13 C45 C46 F14 -0.3(4) .
C44 C45 C46 F14 178.9(3) .
F13 C45 C46 C41 -180.0(3) .
C44 C45 C46 C41 -0.8(5) .
C42 C41 C46 F14 180.0(3) .
B1 C41 C46 F14 -6.1(4) .
C42 C41 C46 C45 -0.3(5) .
B1 C41 C46 C45 173.6(3) .
C52 C47 C48 C49 -0.2(6) .
C47 C48 C49 C50 -0.5(7) .
C48 C49 C50 C51 1.0(6) .
C49 C50 C51 C52 -0.9(6) .
C50 C51 C52 C47 0.2(6) .
C48 C47 C52 C51 0.3(6) .
C54 C53 C55 C54 -0.9(9) 2_757
C53 C54 C55 C53 0.9(8) 2_757
