#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:17:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178742 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/53/4085350.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_4085350
loop_
_publ_author_name
'Burlakov, Vladimir V.'
'Bogdanov, Vyacheslav S.'
'Arndt, Perdita'
'Baumann, Wolfgang'
'Spannenberg, Anke'
'Lyssenko, Konstantin A.'
'Ananyev, Ivan V.'
'Rosenthal, Uwe'
'Shur, Vladimir B.'
_publ_section_title
;
 Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene
 and Its Interaction with Acetylenes. Synthesis and Structures of Novel
 Seven-Membered Zirconacyclocumulene Complexes
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2471
_journal_paper_doi               10.1021/om501205s
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety
'2(C30 H46 Si4 Zr), 0.5(C30 H46 Si4 Zr), 0.5(C30 H46 Si4 Zr)'
_chemical_formula_sum            'C30 H46 Si4 Zr'
_chemical_formula_weight         608.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 101.149(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.014(3)
_cell_length_b                   23.494(5)
_cell_length_c                   20.568(4)
_cell_measurement_reflns_used    973
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      3
_cell_volume                     6644(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector''
_diffrn_measurement_method       'omega 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  0.1615
_diffrn_reflns_av_sigmaI/netI    0.1667
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            57448
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    0.492
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2562
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.736
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         14796
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1641
_refine_ls_R_factor_gt           0.0759
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0372P)²+9.9135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1612
_reflns_number_gt                7797
_reflns_number_total             14796
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om501205s_si_002.cif
_cod_data_source_block           complex_8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4085350--4085354.cif.
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4085350
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zr1 Zr 0.38117(4) 0.01096(2) 0.33162(3) 0.01784(14) Uani 1 1 d . A .
Si1 Si 0.16283(12) 0.01583(8) 0.44335(9) 0.0243(4) Uani 1 1 d . . .
Si2 Si 0.08788(12) -0.00806(9) 0.14208(9) 0.0309(5) Uani 1 1 d . A .
Si3 Si 0.33827(13) -0.02429(8) 0.08019(9) 0.0307(5) Uani 1 1 d . . .
Si4 Si 0.70506(13) -0.00053(9) 0.20480(10) 0.0375(5) Uani 1 1 d . A .
C1 C 0.2315(4) 0.0120(3) 0.3758(3) 0.0243(14) Uani 1 1 d . . .
C2 C 0.2066(4) 0.0040(2) 0.3129(3) 0.0211(14) Uani 1 1 d . . .
C3 C 0.2292(4) -0.0014(3) 0.2540(3) 0.0257(15) Uani 1 1 d . A .
C4 C 0.2193(4) -0.0087(3) 0.1880(3) 0.0252(14) Uani 1 1 d . . .
C5 C 0.3145(4) -0.0111(3) 0.1657(3) 0.0239(14) Uani 1 1 d . A .
C6 C 0.3924(4) -0.0037(2) 0.2184(3) 0.0205(14) Uani 1 1 d . . .
C7 C 0.4897(4) -0.0048(3) 0.2076(3) 0.0277(15) Uani 1 1 d . A .
C8 C 0.5765(4) -0.0034(3) 0.2074(3) 0.0307(16) Uani 1 1 d . . .
C9 C 0.0337(5) 0.0032(4) 0.4068(4) 0.056(2) Uani 1 1 d . . .
H9A H 0.0133 0.0292 0.3695 0.084 Uiso 1 1 calc R . .
H9B H -0.0061 0.0099 0.4404 0.084 Uiso 1 1 calc R . .
H9C H 0.0251 -0.0362 0.3912 0.084 Uiso 1 1 calc R . .
C10 C 0.2077(6) -0.0386(4) 0.5072(4) 0.061(3) Uani 1 1 d . . .
H10A H 0.2742 -0.0291 0.5292 0.091 Uiso 1 1 calc R . .
H10B H 0.2070 -0.0760 0.4861 0.091 Uiso 1 1 calc R . .
H10C H 0.1655 -0.0393 0.5400 0.091 Uiso 1 1 calc R . .
C11 C 0.1785(6) 0.0862(3) 0.4832(4) 0.051(2) Uani 1 1 d . . .
H11A H 0.1561 0.1158 0.4501 0.077 Uiso 1 1 calc R . .
H11B H 0.2474 0.0923 0.5023 0.077 Uiso 1 1 calc R . .
H11C H 0.1404 0.0881 0.5184 0.077 Uiso 1 1 calc R . .
C12 C 0.0109(5) 0.0116(4) 0.2035(4) 0.065(3) Uani 1 1 d . . .
H12A H 0.0181 -0.0173 0.2385 0.097 Uiso 1 1 calc R A .
H12B H -0.0574 0.0137 0.1811 0.097 Uiso 1 1 calc R . .
H12C H 0.0317 0.0486 0.2231 0.097 Uiso 1 1 calc R . .
C13 C 0.0469(5) -0.0798(3) 0.1098(3) 0.0400(19) Uani 1 1 d . . .
H13A H 0.0621 -0.1078 0.1456 0.060 Uiso 1 1 calc R A .
H13B H 0.0805 -0.0901 0.0739 0.060 Uiso 1 1 calc R . .
H13C H -0.0234 -0.0792 0.0929 0.060 Uiso 1 1 calc R . .
C14 C 0.0677(7) 0.0475(3) 0.0768(4) 0.070(3) Uani 1 1 d . . .
H14A H 0.0327 0.0310 0.0352 0.105 Uiso 1 1 calc R A .
H14B H 0.1306 0.0623 0.0703 0.105 Uiso 1 1 calc R . .
H14C H 0.0292 0.0786 0.0904 0.105 Uiso 1 1 calc R . .
C15 C 0.4200(6) -0.0869(3) 0.0810(4) 0.063(3) Uani 1 1 d . A .
H15A H 0.4819 -0.0795 0.1112 0.094 Uiso 1 1 calc R . .
H15B H 0.4318 -0.0936 0.0362 0.094 Uiso 1 1 calc R . .
H15C H 0.3892 -0.1206 0.0961 0.094 Uiso 1 1 calc R . .
C16 C 0.3961(5) 0.0394(3) 0.0526(4) 0.047(2) Uani 1 1 d . A .
H16A H 0.4584 0.0464 0.0825 0.071 Uiso 1 1 calc R . .
H16B H 0.3534 0.0724 0.0530 0.071 Uiso 1 1 calc R . .
H16C H 0.4072 0.0334 0.0075 0.071 Uiso 1 1 calc R . .
C17 C 0.235(3) -0.0552(13) 0.020(2) 0.059(9) Uani 0.50 1 d P A 1
H17A H 0.2200 -0.0931 0.0354 0.089 Uiso 0.50 1 calc PR A 1
H17B H 0.2532 -0.0584 -0.0234 0.089 Uiso 0.50 1 calc PR A 1
H17C H 0.1782 -0.0306 0.0170 0.089 Uiso 0.50 1 calc PR A 1
C17' C 0.225(3) -0.0264(13) 0.010(2) 0.059(9) Uani 0.50 1 d P A 2
H17D H 0.1870 0.0084 0.0109 0.089 Uiso 0.50 1 calc PR A 2
H17E H 0.1850 -0.0595 0.0159 0.089 Uiso 0.50 1 calc PR A 2
H17F H 0.2455 -0.0293 -0.0330 0.089 Uiso 0.50 1 calc PR A 2
C18 C 0.7749(4) -0.0096(3) 0.2907(3) 0.0378(18) Uani 1 1 d . . .
H18A H 0.7562 0.0202 0.3191 0.057 Uiso 1 1 calc R A .
H18B H 0.8447 -0.0067 0.2906 0.057 Uiso 1 1 calc R . .
H18C H 0.7608 -0.0470 0.3076 0.057 Uiso 1 1 calc R . .
C19 C 0.7372(5) -0.0590(4) 0.1511(4) 0.061(3) Uani 1 1 d . . .
H19A H 0.6872 -0.0617 0.1107 0.091 Uiso 1 1 calc R A .
H19B H 0.7409 -0.0952 0.1752 0.091 Uiso 1 1 calc R . .
H19C H 0.8003 -0.0509 0.1393 0.091 Uiso 1 1 calc R . .
C20 C 0.7281(5) 0.0696(4) 0.1700(4) 0.057(2) Uani 1 1 d . . .
H20A H 0.7074 0.0999 0.1971 0.085 Uiso 1 1 calc R A .
H20B H 0.6914 0.0726 0.1245 0.085 Uiso 1 1 calc R . .
H20C H 0.7978 0.0736 0.1701 0.085 Uiso 1 1 calc R . .
C21 C 0.3548(5) 0.1149(3) 0.3049(4) 0.0379(17) Uani 1 1 d U . .
H21A H 0.2967 0.1313 0.2747 0.046 Uiso 1 1 calc R A .
C22 C 0.3665(5) 0.1111(3) 0.3741(4) 0.0336(16) Uani 1 1 d U A .
H22A H 0.3189 0.1243 0.4013 0.040 Uiso 1 1 calc R . .
C23 C 0.4603(5) 0.0925(3) 0.3981(3) 0.0319(16) Uani 1 1 d U . .
H23A H 0.4925 0.0909 0.4459 0.038 Uiso 1 1 calc R A .
C24 C 0.5076(5) 0.0868(3) 0.3442(4) 0.0388(18) Uani 1 1 d U A .
H24A H 0.5789 0.0802 0.3476 0.047 Uiso 1 1 calc R . .
C25 C 0.4424(6) 0.1013(3) 0.2864(4) 0.0403(18) Uani 1 1 d U A .
H25A H 0.4584 0.1064 0.2414 0.048 Uiso 1 1 calc R . .
C26 C 0.4073(4) -0.0659(3) 0.4184(3) 0.0294(15) Uani 1 1 d U . .
H26A H 0.3752 -0.0682 0.4577 0.035 Uiso 1 1 calc R A .
C27 C 0.3760(5) -0.0932(3) 0.3575(4) 0.0329(16) Uani 1 1 d U A .
H27A H 0.3172 -0.1181 0.3462 0.040 Uiso 1 1 calc R . .
C28 C 0.4478(5) -0.0877(3) 0.3195(3) 0.0353(16) Uani 1 1 d U . .
H28A H 0.4491 -0.1077 0.2768 0.042 Uiso 1 1 calc R A .
C29 C 0.5232(4) -0.0556(3) 0.3559(3) 0.0295(15) Uani 1 1 d U A .
H29A H 0.5880 -0.0491 0.3436 0.035 Uiso 1 1 calc R . .
C30 C 0.4991(4) -0.0422(3) 0.4177(3) 0.0266(14) Uani 1 1 d U A .
H30A H 0.5438 -0.0250 0.4565 0.032 Uiso 1 1 calc R . .
Zr1A Zr 0.85427(6) 0.2500 0.32899(4) 0.0210(2) Uani 1 2 d S . .
Si1A Si 0.63307(16) 0.2500 0.43720(12) 0.0185(5) Uani 1 2 d S . .
Si2A Si 0.56149(16) 0.2500 0.13532(13) 0.0231(6) Uani 1 2 d S . .
Si3A Si 0.81315(19) 0.2500 0.07463(14) 0.0388(8) Uani 1 2 d S . .
Si4A Si 1.17692(17) 0.2500 0.19917(13) 0.0299(7) Uani 1 2 d S . .
C1A C 0.7062(5) 0.2500 0.3708(4) 0.0196(19) Uani 1 2 d S . .
C2A C 0.6805(5) 0.2500 0.3082(4) 0.0195(19) Uani 1 2 d SU . .
C3A C 0.7011(5) 0.2500 0.2490(4) 0.024(2) Uani 1 2 d S . .
C4A C 0.6908(6) 0.2500 0.1830(4) 0.023(2) Uani 1 2 d S . .
C5A C 0.7874(6) 0.2500 0.1615(4) 0.025(2) Uani 1 2 d S . .
C6A C 0.8646(5) 0.2500 0.2144(4) 0.0175(18) Uani 1 2 d SU . .
C7A C 0.9618(6) 0.2500 0.2042(4) 0.026(2) Uani 1 2 d S . .
C8A C 1.0475(6) 0.2500 0.2027(5) 0.034(2) Uani 1 2 d S . .
C9A C 0.6626(4) 0.1859(3) 0.4904(3) 0.0272(15) Uani 1 1 d . . .
H9AA H 0.7289 0.1892 0.5162 0.041 Uiso 1 1 calc R . .
H9AB H 0.6577 0.1519 0.4624 0.041 Uiso 1 1 calc R . .
H9AC H 0.6166 0.1829 0.5206 0.041 Uiso 1 1 calc R . .
C10A C 0.5024(5) 0.2500 0.3952(4) 0.023(2) Uani 1 2 d S . .
H10D H 0.4892 0.2166 0.3680 0.035 Uiso 0.50 1 d PR . .
H10E H 0.4617 0.2500 0.4279 0.035 Uiso 1 2 d SR . .
C11A C 0.4823(7) 0.2500 0.1982(5) 0.048(3) Uani 1 2 d SU . .
H11D H 0.4952 0.2834 0.2254 0.073 Uiso 0.50 1 d PR . .
H11E H 0.4152 0.2500 0.1762 0.073 Uiso 1 2 d SR . .
C12A C 0.5339(6) 0.1836(3) 0.0858(4) 0.054(2) Uani 1 1 d . . .
H12D H 0.5804 0.1794 0.0561 0.081 Uiso 1 1 calc R . .
H12E H 0.4677 0.1858 0.0595 0.081 Uiso 1 1 calc R . .
H12F H 0.5390 0.1508 0.1156 0.081 Uiso 1 1 calc R . .
C13A C 0.7061(9) 0.2708(6) 0.0057(6) 0.044(5) Uani 0.50 1 d P . 1
H13D H 0.7006 0.3115 0.0023 0.066 Uiso 0.50 1 d PR . 1
H13E H 0.7153 0.2499 -0.0359 0.066 Uiso 1 2 d SR . 1
H13F H 0.6477 0.2499 0.0168 0.066 Uiso 1 2 d SR . 1
C14A C 0.8846(6) 0.1848(3) 0.0624(4) 0.065(3) Uani 1 1 d . . .
H14D H 0.9439 0.1833 0.0965 0.098 Uiso 1 1 calc R . .
H14E H 0.9019 0.1861 0.0185 0.098 Uiso 1 1 calc R . .
H14F H 0.8452 0.1508 0.0657 0.098 Uiso 1 1 calc R . .
C15A C 1.2030(5) 0.1852(3) 0.1545(4) 0.048(2) Uani 1 1 d . . .
H15D H 1.1650 0.1860 0.1092 0.073 Uiso 1 1 calc R . .
H15E H 1.1853 0.1514 0.1775 0.073 Uiso 1 1 calc R . .
H15F H 1.2724 0.1839 0.1531 0.073 Uiso 1 1 calc R . .
C16A C 1.2454(6) 0.2500 0.2873(4) 0.029(2) Uani 1 2 d S . .
H16D H 1.2284 0.2834 0.3095 0.044 Uiso 0.50 1 d PR . .
H16F H 1.3143 0.2500 0.2880 0.044 Uiso 1 2 d SR . .
C17A C 0.9894(6) 0.1789(4) 0.3452(4) 0.061(3) Uani 1 1 d U . .
H17G H 1.0570 0.1863 0.3383 0.073 Uiso 1 1 calc R . .
C18A C 0.9155(6) 0.1546(3) 0.2995(4) 0.053(2) Uani 1 1 d U . .
H18D H 0.9206 0.1420 0.2539 0.064 Uiso 1 1 calc R . .
C19A C 0.8369(6) 0.1434(3) 0.3311(5) 0.056(2) Uani 1 1 d U . .
H19D H 0.7771 0.1212 0.3120 0.068 Uiso 1 1 calc R . .
C20A C 0.8644(6) 0.1609(3) 0.3968(4) 0.053(2) Uani 1 1 d U . .
H20D H 0.8270 0.1534 0.4327 0.063 Uiso 1 1 calc R . .
C21A C 0.9583(6) 0.1829(4) 0.4065(4) 0.064(3) Uani 1 1 d U . .
H21B H 1.0000 0.1931 0.4501 0.077 Uiso 1 1 calc R . .
Zr1B Zr 0.01093(6) 0.2500 0.69144(5) 0.0335(3) Uani 1 2 d S . .
Si1B Si -0.23822(17) 0.2500 0.76728(14) 0.0326(7) Uani 1 2 d S . .
Si2B Si 0.18504(18) 0.2500 0.93309(13) 0.0270(6) Uani 1 2 d S . .
Si3B Si 0.37013(17) 0.2500 0.80767(14) 0.0312(7) Uani 1 2 d SU . .
Si4B Si 0.33019(16) 0.2500 0.55275(12) 0.0197(5) Uani 1 2 d S . .
C1B C -0.1083(6) 0.2500 0.7616(4) 0.028(2) Uani 1 2 d S B .
C2B C -0.0258(6) 0.2500 0.8004(4) 0.024(2) Uani 1 2 d S B .
C3B C 0.0706(6) 0.2500 0.8076(4) 0.026(2) Uani 1 2 d S B .
C4B C 0.1641(6) 0.2500 0.8393(5) 0.027(2) Uani 1 2 d S . .
C5B C 0.2317(5) 0.2500 0.7920(4) 0.0193(19) Uani 1 2 d SU B .
C6B C 0.1843(6) 0.2500 0.7265(4) 0.023(2) Uani 1 2 d S B .
C7B C 0.2340(6) 0.2500 0.6730(5) 0.024(2) Uani 1 2 d S . .
C8B C 0.2678(6) 0.2500 0.6228(5) 0.027(2) Uani 1 2 d S B .
C9B C -0.3165(6) 0.2500 0.6834(4) 0.038(3) Uani 1 2 d S B .
H9BA H -0.3042 0.2166 0.6593 0.057 Uiso 0.50 1 d PR . .
H9BB H -0.3832 0.2500 0.6888 0.057 Uiso 1 2 d SR . .
C10B C -0.2627(5) 0.1849(3) 0.8130(4) 0.050(2) Uani 1 1 d . B .
H10F H -0.2576 0.1513 0.7858 0.074 Uiso 1 1 calc R . .
H10G H -0.3283 0.1871 0.8227 0.074 Uiso 1 1 calc R . .
H10H H -0.2150 0.1822 0.8546 0.074 Uiso 1 1 calc R . .
C11B C 0.0627(6) 0.2500 0.9569(5) 0.039(3) Uani 1 2 d S . .
H11F H 0.0695 0.2500 1.0042 0.058 Uiso 1 2 d SR B .
H11G H 0.0275 0.2834 0.9390 0.058 Uiso 0.50 1 d PR . .
C12B C 0.2478(5) 0.1840(3) 0.9670(4) 0.049(2) Uani 1 1 d . . .
H12G H 0.2877 0.1918 1.0107 0.074 Uiso 1 1 calc R B .
H12H H 0.2895 0.1704 0.9371 0.074 Uiso 1 1 calc R . .
H12I H 0.1994 0.1548 0.9712 0.074 Uiso 1 1 calc R . .
C13B C 0.4348(7) 0.2500 0.8976(5) 0.051(3) Uani 1 2 d SU . .
H13G H 0.5040 0.2500 0.8995 0.076 Uiso 1 2 d SR . .
H13H H 0.4168 0.2834 0.9194 0.076 Uiso 0.50 1 d PR . .
C14B C 0.4134(5) 0.1854(3) 0.7712(4) 0.045(2) Uani 1 1 d . . .
H14G H 0.4834 0.1887 0.7721 0.067 Uiso 1 1 calc R . .
H14H H 0.3787 0.1812 0.7253 0.067 Uiso 1 1 calc R . .
H14I H 0.4012 0.1520 0.7970 0.067 Uiso 1 1 calc R . .
C15B C 0.4066(4) 0.1858(3) 0.5573(3) 0.0307(16) Uani 1 1 d . . .
H15G H 0.4653 0.1910 0.5915 0.046 Uiso 1 1 calc R . .
H15H H 0.4252 0.1794 0.5143 0.046 Uiso 1 1 calc R . .
H15I H 0.3701 0.1529 0.5685 0.046 Uiso 1 1 calc R . .
C16B C 0.2355(6) 0.2500 0.4749(4) 0.028(2) Uani 1 2 d S . .
H16E H 0.1955 0.2166 0.4734 0.042 Uiso 0.50 1 d PR . .
H16H H 0.2677 0.2500 0.4376 0.042 Uiso 1 2 d SR . .
C17B C -0.0080(17) 0.1481(8) 0.6913(10) 0.059(4) Uani 0.60 1 d PU B 1
H17H H -0.0041 0.1308 0.7335 0.071 Uiso 0.60 1 calc PR B 1
C18B C 0.0711(17) 0.1589(17) 0.6560(13) 0.051(6) Uani 0.60 1 d PU B 1
H18E H 0.1363 0.1464 0.6698 0.062 Uiso 0.60 1 calc PR B 1
C19B C 0.0380(11) 0.1887(6) 0.6020(8) 0.043(4) Uani 0.60 1 d PU B 1
H19E H 0.0762 0.2036 0.5725 0.052 Uiso 0.60 1 calc PR B 1
C20B C -0.0616(10) 0.1946(7) 0.5955(8) 0.059(4) Uani 0.60 1 d PU B 1
H20E H -0.1030 0.2133 0.5599 0.071 Uiso 0.60 1 calc PR B 1
C21B C -0.0917(13) 0.1692(9) 0.6484(10) 0.065(5) Uani 0.60 1 d PU B 1
H21C H -0.1568 0.1663 0.6549 0.078 Uiso 0.60 1 calc PR B 1
C17C C 0.0291(14) 0.3640(13) 0.7161(11) 0.028(5) Uani 0.40 1 d PU C 2
H17I H 0.0499 0.3786 0.7596 0.033 Uiso 0.40 1 calc PR C 2
C18C C 0.089(2) 0.350(2) 0.6736(18) 0.030(6) Uani 0.40 1 d PU C 2
H18F H 0.1578 0.3478 0.6834 0.035 Uiso 0.40 1 calc PR C 2
C19C C 0.0260(19) 0.3378(9) 0.6111(12) 0.042(4) Uani 0.40 1 d PU C 2
H19F H 0.0482 0.3322 0.5708 0.050 Uiso 0.40 1 calc PR C 2
C20C C -0.0683(18) 0.3357(9) 0.6166(11) 0.042(4) Uani 0.40 1 d PU C 2
H20F H -0.1221 0.3250 0.5833 0.050 Uiso 0.40 1 calc PR C 2
C21C C -0.0705(15) 0.3535(10) 0.6847(12) 0.033(5) Uani 0.40 1 d PU C 2
H21D H -0.1263 0.3573 0.7042 0.040 Uiso 0.40 1 calc PR C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
C6 Zr1 C2 95.2(2) . .
C6 Zr1 C3 63.6(2) . .
C2 Zr1 C3 31.6(2) . .
C6 Zr1 C1 125.97(19) . .
C2 Zr1 C1 30.78(19) . .
C3 Zr1 C1 62.4(2) . .
C6 Zr1 C23 122.7(2) . .
C2 Zr1 C23 118.1(2) . .
C3 Zr1 C23 134.2(2) . .
C1 Zr1 C23 96.4(2) . .
C6 Zr1 C24 91.4(2) . .
C2 Zr1 C24 138.2(2) . .
C3 Zr1 C24 132.2(2) . .
C1 Zr1 C24 126.8(2) . .
C23 Zr1 C24 32.8(2) . .
C6 Zr1 C29 84.5(2) . .
C2 Zr1 C29 137.2(2) . .
C3 Zr1 C29 128.4(2) . .
C1 Zr1 C29 129.7(2) . .
C23 Zr1 C29 96.8(2) . .
C24 Zr1 C29 84.5(2) . .
C6 Zr1 C27 94.4(2) . .
C2 Zr1 C27 84.1(2) . .
C3 Zr1 C27 88.0(2) . .
C1 Zr1 C27 82.4(2) . .
C23 Zr1 C27 131.5(2) . .
C24 Zr1 C27 136.5(2) . .
C29 Zr1 C27 53.3(2) . .
C6 Zr1 C30 117.2(2) . .
C2 Zr1 C30 126.1(2) . .
C3 Zr1 C30 141.4(2) . .
C1 Zr1 C30 103.8(2) . .
C23 Zr1 C30 80.4(2) . .
C24 Zr1 C30 85.7(2) . .
C29 Zr1 C30 32.7(2) . .
C27 Zr1 C30 53.6(2) . .
C6 Zr1 C26 124.1(2) . .
C2 Zr1 C26 94.0(2) . .
C3 Zr1 C26 111.8(2) . .
C1 Zr1 C26 76.1(2) . .
C23 Zr1 C26 100.0(2) . .
C24 Zr1 C26 115.9(2) . .
C29 Zr1 C26 53.8(2) . .
C27 Zr1 C26 32.4(2) . .
C30 Zr1 C26 32.46(19) . .
C6 Zr1 C21 87.8(2) . .
C2 Zr1 C21 85.9(2) . .
C3 Zr1 C21 84.2(2) . .
C1 Zr1 C21 88.4(2) . .
C23 Zr1 C21 53.4(2) . .
C24 Zr1 C21 53.1(2) . .
C29 Zr1 C21 136.7(2) . .
C27 Zr1 C21 170.0(2) . .
C30 Zr1 C21 133.4(2) . .
C26 Zr1 C21 147.9(2) . .
C6 Zr1 C28 71.2(2) . .
C2 Zr1 C28 107.8(2) . .
C3 Zr1 C28 96.9(2) . .
C1 Zr1 C28 113.9(2) . .
C23 Zr1 C28 128.7(2) . .
C24 Zr1 C28 113.4(2) . .
C29 Zr1 C28 32.1(2) . .
C27 Zr1 C28 32.1(2) . .
C30 Zr1 C28 53.7(2) . .
C26 Zr1 C28 53.6(2) . .
C21 Zr1 C28 155.5(2) . .
C11 Si1 C1 110.2(3) . .
C11 Si1 C9 110.4(4) . .
C1 Si1 C9 107.5(3) . .
C11 Si1 C10 108.0(4) . .
C1 Si1 C10 110.2(3) . .
C9 Si1 C10 110.5(4) . .
C14 Si2 C13 112.7(3) . .
C14 Si2 C12 106.7(4) . .
C13 Si2 C12 106.6(4) . .
C14 Si2 C4 111.2(4) . .
C13 Si2 C4 111.9(3) . .
C12 Si2 C4 107.2(3) . .
C16 Si3 C17 116.4(9) . .
C16 Si3 C15 109.8(4) . .
C17 Si3 C15 95.4(13) . .
C16 Si3 C5 108.8(3) . .
C17 Si3 C5 115.5(14) . .
C15 Si3 C5 110.0(3) . .
C16 Si3 C17' 97.9(9) . .
C17 Si3 C17' 21.7(15) . .
C15 Si3 C17' 113.7(12) . .
C5 Si3 C17' 115.9(14) . .
C8 Si4 C20 107.1(3) . .
C8 Si4 C18 108.2(3) . .
C20 Si4 C18 111.7(3) . .
C8 Si4 C19 110.1(3) . .
C20 Si4 C19 110.3(4) . .
C18 Si4 C19 109.5(3) . .
C2 C1 Si1 133.4(5) . .
C2 C1 Zr1 73.1(4) . .
Si1 C1 Zr1 153.4(3) . .
C1 C2 C3 150.7(6) . .
C1 C2 Zr1 76.1(4) . .
C3 C2 Zr1 74.7(3) . .
C2 C3 C4 160.5(6) . .
C2 C3 Zr1 73.7(3) . .
C4 C3 Zr1 125.8(4) . .
C3 C4 C5 113.0(5) . .
C3 C4 Si2 113.6(4) . .
C5 C4 Si2 133.2(5) . .
C6 C5 C4 111.7(5) . .
C6 C5 Si3 119.6(5) . .
C4 C5 Si3 128.7(4) . .
C5 C6 C7 120.5(6) . .
C5 C6 Zr1 125.9(4) . .
C7 C6 Zr1 113.6(4) . .
C8 C7 C6 171.1(7) . .
C7 C8 Si4 178.5(6) . .
Si1 C9 H9A 109.5 . .
Si1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si1 C10 H10A 109.5 . .
Si1 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si1 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si1 C11 H11A 109.5 . .
Si1 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si1 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si2 C12 H12A 109.5 . .
Si2 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si2 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si2 C13 H13A 109.5 . .
Si2 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si2 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si2 C14 H14A 109.5 . .
Si2 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si2 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si3 C15 H15A 109.5 . .
Si3 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si3 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si3 C16 H16A 109.5 . .
Si3 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si3 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Si3 C17 H17A 109.5 . .
Si3 C17 H17B 109.5 . .
Si3 C17 H17C 109.5 . .
Si3 C17' H17D 109.5 . .
Si3 C17' H17E 109.5 . .
H17D C17' H17E 109.5 . .
Si3 C17' H17F 109.5 . .
H17D C17' H17F 109.5 . .
H17E C17' H17F 109.5 . .
Si4 C18 H18A 109.5 . .
Si4 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si4 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si4 C19 H19A 109.5 . .
Si4 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si4 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si4 C20 H20A 109.5 . .
Si4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C25 C21 C22 109.0(6) . .
C25 C21 Zr1 74.7(4) . .
C22 C21 Zr1 74.5(4) . .
C25 C21 H21A 125.1 . .
C22 C21 H21A 125.1 . .
Zr1 C21 H21A 125.1 . .
C23 C22 C21 107.4(6) . .
C23 C22 Zr1 72.2(4) . .
C21 C22 Zr1 73.2(4) . .
C23 C22 H22A 126.1 . .
C21 C22 H22A 126.1 . .
Zr1 C22 H22A 126.1 . .
C22 C23 C24 108.0(6) . .
C22 C23 Zr1 75.9(4) . .
C24 C23 Zr1 73.8(4) . .
C22 C23 H23A 125.5 . .
C24 C23 H23A 125.5 . .
Zr1 C23 H23A 125.5 . .
C25 C24 C23 108.6(6) . .
C25 C24 Zr1 75.5(4) . .
C23 C24 Zr1 73.4(4) . .
C25 C24 H24A 125.3 . .
C23 C24 H24A 125.3 . .
Zr1 C24 H24A 125.3 . .
C21 C25 C24 106.9(6) . .
C21 C25 Zr1 73.3(4) . .
C24 C25 Zr1 72.3(4) . .
C21 C25 H25A 126.3 . .
C24 C25 H25A 126.3 . .
Zr1 C25 H25A 126.3 . .
C27 C26 C30 107.5(6) . .
C27 C26 Zr1 73.6(4) . .
C30 C26 Zr1 73.5(4) . .
C27 C26 H26A 125.9 . .
C30 C26 H26A 125.9 . .
Zr1 C26 H26A 125.9 . .
C28 C27 C26 108.9(6) . .
C28 C27 Zr1 74.7(4) . .
C26 C27 Zr1 74.1(4) . .
C28 C27 H27A 125.2 . .
C26 C27 H27A 125.2 . .
Zr1 C27 H27A 125.2 . .
C29 C28 C27 107.7(6) . .
C29 C28 Zr1 73.0(4) . .
C27 C28 Zr1 73.1(4) . .
C29 C28 H28A 125.9 . .
C27 C28 H28A 125.9 . .
Zr1 C28 H28A 125.9 . .
C28 C29 C30 108.4(6) . .
C28 C29 Zr1 74.9(4) . .
C30 C29 Zr1 73.8(3) . .
C28 C29 H29A 125.4 . .
C30 C29 H29A 125.4 . .
Zr1 C29 H29A 125.4 . .
C26 C30 C29 107.5(6) . .
C26 C30 Zr1 74.0(3) . .
C29 C30 Zr1 73.5(3) . .
C26 C30 H30A 125.9 . .
C29 C30 H30A 125.9 . .
Zr1 C30 H30A 125.9 . .
C2A Zr1A C6A 94.4(3) . .
C2A Zr1A C1A 30.8(3) . .
C6A Zr1A C1A 125.2(3) . .
C2A Zr1A C3A 31.3(3) . .
C6A Zr1A C3A 63.1(3) . .
C1A Zr1A C3A 62.1(3) . .
C2A Zr1A C17A 138.1(2) . 4_565
C6A Zr1A C17A 86.7(2) . 4_565
C1A Zr1A C17A 129.7(2) . 4_565
C3A Zr1A C17A 129.5(3) . 4_565
C2A Zr1A C17A 138.1(2) . .
C6A Zr1A C17A 86.7(2) . .
C1A Zr1A C17A 129.7(2) . .
C3A Zr1A C17A 129.5(3) . .
C17A Zr1A C17A 83.9(5) 4_565 .
C2A Zr1A C21A 124.3(2) . 4_565
C6A Zr1A C21A 119.3(2) . 4_565
C1A Zr1A C21A 102.1(2) . 4_565
C3A Zr1A C21A 139.3(2) . 4_565
C17A Zr1A C21A 32.8(2) 4_565 4_565
C17A Zr1A C21A 90.1(3) . 4_565
C2A Zr1A C21A 124.3(2) . .
C6A Zr1A C21A 119.3(2) . .
C1A Zr1A C21A 102.1(2) . .
C3A Zr1A C21A 139.3(2) . .
C17A Zr1A C21A 90.1(3) 4_565 .
C17A Zr1A C21A 32.8(2) . .
C21A Zr1A C21A 78.2(5) 4_565 .
C2A Zr1A C20A 92.6(2) . 4_565
C6A Zr1A C20A 122.8(2) . 4_565
C1A Zr1A C20A 76.1(2) . 4_565
C3A Zr1A C20A 108.9(2) . 4_565
C17A Zr1A C20A 53.6(3) 4_565 4_565
C17A Zr1A C20A 121.6(3) . 4_565
C21A Zr1A C20A 32.3(3) 4_565 4_565
C21A Zr1A C20A 102.0(3) . 4_565
C2A Zr1A C20A 92.6(2) . .
C6A Zr1A C20A 122.8(2) . .
C1A Zr1A C20A 76.1(2) . .
C3A Zr1A C20A 108.9(2) . .
C17A Zr1A C20A 121.6(3) 4_565 .
C17A Zr1A C20A 53.6(3) . .
C21A Zr1A C20A 102.0(3) 4_565 .
C21A Zr1A C20A 32.3(3) . .
C20A Zr1A C20A 113.4(4) 4_565 .
C2A Zr1A C18A 109.9(2) . .
C6A Zr1A C18A 71.0(2) . .
C1A Zr1A C18A 116.49(19) . .
C3A Zr1A C18A 97.7(2) . .
C17A Zr1A C18A 110.0(3) 4_565 .
C17A Zr1A C18A 32.0(3) . .
C21A Zr1A C18A 122.1(3) 4_565 .
C21A Zr1A C18A 53.7(3) . .
C20A Zr1A C18A 153.3(3) 4_565 .
C20A Zr1A C18A 53.4(3) . .
C2A Zr1A C18A 109.9(2) . 4_565
C6A Zr1A C18A 71.0(2) . 4_565
C1A Zr1A C18A 116.49(19) . 4_565
C3A Zr1A C18A 97.7(2) . 4_565
C17A Zr1A C18A 32.0(3) 4_565 4_565
C17A Zr1A C18A 110.0(3) . 4_565
C21A Zr1A C18A 53.7(3) 4_565 4_565
C21A Zr1A C18A 122.1(3) . 4_565
C20A Zr1A C18A 53.4(3) 4_565 4_565
C20A Zr1A C18A 153.3(3) . 4_565
C18A Zr1A C18A 126.0(4) . 4_565
C1A Si1A C9A 109.9(2) . 4_565
C1A Si1A C9A 109.9(2) . .
C9A Si1A C9A 108.1(4) 4_565 .
C1A Si1A C10A 106.9(4) . .
C9A Si1A C10A 111.0(2) 4_565 .
C9A Si1A C10A 111.0(2) . .
C12A Si2A C12A 113.7(5) . 4_565
C12A Si2A C11A 107.0(3) . .
C12A Si2A C11A 107.0(3) 4_565 .
C12A Si2A C4A 111.2(3) . .
C12A Si2A C4A 111.2(3) 4_565 .
C11A Si2A C4A 106.3(4) . .
C14A Si3A C14A 109.7(5) . 4_565
C14A Si3A C5A 109.4(3) . .
C14A Si3A C5A 109.4(3) 4_565 .
C14A Si3A C13A 93.1(5) . 4_565
C14A Si3A C13A 118.1(5) 4_565 4_565
C5A Si3A C13A 115.7(5) . 4_565
C14A Si3A C13A 118.1(5) . .
C14A Si3A C13A 93.1(5) 4_565 .
C5A Si3A C13A 115.7(5) . .
C13A Si3A C13A 29.6(8) 4_565 .
C8A Si4A C15A 108.2(3) . .
C8A Si4A C15A 108.2(3) . 4_565
C15A Si4A C15A 110.6(5) . 4_565
C8A Si4A C16A 106.7(4) . .
C15A Si4A C16A 111.5(3) . .
C15A Si4A C16A 111.5(3) 4_565 .
C2A C1A Si1A 131.1(6) . .
C2A C1A Zr1A 74.4(5) . .
Si1A C1A Zr1A 154.5(4) . .
C1A C2A C3A 151.3(8) . .
C1A C2A Zr1A 74.8(5) . .
C3A C2A Zr1A 76.4(5) . .
C2A C3A C4A 161.4(8) . .
C2A C3A Zr1A 72.3(5) . .
C4A C3A Zr1A 126.4(6) . .
C3A C4A C5A 111.8(7) . .
C3A C4A Si2A 115.6(6) . .
C5A C4A Si2A 132.6(7) . .
C6A C5A C4A 112.5(8) . .
C6A C5A Si3A 118.8(6) . .
C4A C5A Si3A 128.7(6) . .
C5A C6A C7A 121.0(8) . .
C5A C6A Zr1A 126.2(6) . .
C7A C6A Zr1A 112.8(5) . .
C8A C7A C6A 173.2(10) . .
C7A C8A Si4A 179.3(9) . .
Si1A C9A H9AA 109.5 . .
Si1A C9A H9AB 109.5 . .
H9AA C9A H9AB 109.5 . .
Si1A C9A H9AC 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
Si1A C10A H10D 109.3 . .
Si1A C10A H10E 109.7 . .
H10D C10A H10E 109.4 . .
Si2A C11A H11D 109.5 . .
Si2A C11A H11E 109.5 . .
H11D C11A H11E 109.4 . .
Si2A C12A H12D 109.5 . .
Si2A C12A H12E 109.5 . .
H12D C12A H12E 109.5 . .
Si2A C12A H12F 109.5 . .
H12D C12A H12F 109.5 . .
H12E C12A H12F 109.5 . .
C13A C13A Si3A 75.2(4) 4_565 .
C13A C13A H13D 174.4 4_565 .
Si3A C13A H13D 110.4 . .
C13A C13A H13E 61.1 4_565 .
Si3A C13A H13E 106.9 . .
H13D C13A H13E 116.2 . .
C13A C13A H13F 61.1 4_565 .
Si3A C13A H13F 105.0 . .
H13D C13A H13F 116.1 . .
H13E C13A H13F 101.1 . .
Si3A C14A H14D 109.5 . .
Si3A C14A H14E 109.5 . .
H14D C14A H14E 109.5 . .
Si3A C14A H14F 109.5 . .
H14D C14A H14F 109.5 . .
H14E C14A H14F 109.5 . .
Si4A C15A H15D 109.5 . .
Si4A C15A H15E 109.5 . .
H15D C15A H15E 109.5 . .
Si4A C15A H15F 109.5 . .
H15D C15A H15F 109.5 . .
H15E C15A H15F 109.5 . .
Si4A C16A H16D 109.3 . .
Si4A C16A H16F 109.7 . .
H16D C16A H16F 109.6 . .
C18A C17A C21A 108.3(8) . .
C18A C17A Zr1A 74.7(4) . .
C21A C17A Zr1A 73.7(4) . .
C18A C17A H17G 125.5 . .
C21A C17A H17G 125.5 . .
Zr1A C17A H17G 125.5 . .
C17A C18A C19A 108.4(8) . .
C17A C18A Zr1A 73.4(5) . .
C19A C18A Zr1A 73.9(4) . .
C17A C18A H18D 125.5 . .
C19A C18A H18D 125.5 . .
Zr1A C18A H18D 125.5 . .
C20A C19A C18A 107.3(8) . .
C20A C19A Zr1A 73.3(5) . .
C18A C19A Zr1A 73.6(4) . .
C20A C19A H19D 126.0 . .
C18A C19A H19D 126.0 . .
Zr1A C19A H19D 126.0 . .
C21A C20A C19A 108.9(7) . .
C21A C20A Zr1A 73.7(4) . .
C19A C20A Zr1A 74.4(4) . .
C21A C20A H20D 125.2 . .
C19A C20A H20D 125.2 . .
Zr1A C20A H20D 125.2 . .
C20A C21A C17A 107.1(8) . .
C20A C21A Zr1A 74.0(4) . .
C17A C21A Zr1A 73.5(4) . .
C20A C21A H21B 126.0 . .
C17A C21A H21B 126.0 . .
Zr1A C21A H21B 126.0 . .
C3B Zr1B C2B 32.4(3) . .
C3B Zr1B C6B 63.8(3) . .
C2B Zr1B C6B 96.2(3) . .
C3B Zr1B C17B 91.0(5) . .
C2B Zr1B C17B 87.6(5) . .
C6B Zr1B C17B 96.0(5) . .
C3B Zr1B C17B 91.0(5) . 4_565
C2B Zr1B C17B 87.6(5) . 4_565
C6B Zr1B C17B 96.0(6) . 4_565
C17B Zr1B C17B 167.4(11) . 4_565
C3B Zr1B C1B 63.1(3) . .
C2B Zr1B C1B 30.7(3) . .
C6B Zr1B C1B 126.9(3) . .
C17B Zr1B C1B 84.9(5) . .
C17B Zr1B C1B 84.9(5) 4_565 .
C3B Zr1B C20B 146.3(4) . .
C2B Zr1B C20B 129.2(4) . .
C6B Zr1B C20B 119.1(4) . .
C17B Zr1B C20B 55.6(6) . .
C17B Zr1B C20B 120.4(7) 4_565 .
C1B Zr1B C20B 104.9(4) . .
C3B Zr1B C20B 146.3(4) . 4_565
C2B Zr1B C20B 129.2(4) . 4_565
C6B Zr1B C20B 119.1(4) . 4_565
C17B Zr1B C20B 120.4(7) . 4_565
C17B Zr1B C20B 55.6(6) 4_565 4_565
C1B Zr1B C20B 104.9(4) . 4_565
C20B Zr1B C20B 65.2(8) . 4_565
C3B Zr1B C19B 133.5(4) . .
C2B Zr1B C19B 143.5(4) . .
C6B Zr1B C19B 86.0(4) . .
C17B Zr1B C19B 56.1(6) . .
C17B Zr1B C19B 128.6(6) 4_565 .
C1B Zr1B C19B 133.1(4) . .
C20B Zr1B C19B 33.2(4) . .
C20B Zr1B C19B 78.6(6) 4_565 .
C3B Zr1B C19B 133.5(4) . 4_565
C2B Zr1B C19B 143.5(4) . 4_565
C6B Zr1B C19B 86.0(4) . 4_565
C17B Zr1B C19B 128.6(6) . 4_565
C17B Zr1B C19B 56.1(6) 4_565 4_565
C1B Zr1B C19B 133.1(4) . 4_565
C20B Zr1B C19B 78.6(6) . 4_565
C20B Zr1B C19B 33.2(4) 4_565 4_565
C19B Zr1B C19B 72.9(8) . 4_565
C3B Zr1B C21B 115.7(5) . .
C2B Zr1B C21B 97.0(5) . .
C6B Zr1B C21B 126.9(5) . .
C17B Zr1B C21B 33.9(6) . .
C17B Zr1B C21B 135.7(9) 4_565 .
C1B Zr1B C21B 77.8(4) . .
C20B Zr1B C21B 32.9(5) . .
C20B Zr1B C21B 89.9(7) 4_565 .
C19B Zr1B C21B 55.3(5) . .
C19B Zr1B C21B 110.8(6) 4_565 .
C3B Zr1B C21B 115.7(5) . 4_565
C2B Zr1B C21B 97.0(5) . 4_565
C6B Zr1B C21B 126.9(5) . 4_565
C17B Zr1B C21B 135.7(9) . 4_565
C17B Zr1B C21B 33.9(6) 4_565 4_565
C1B Zr1B C21B 77.8(4) . 4_565
C20B Zr1B C21B 89.9(7) . 4_565
C20B Zr1B C21B 32.9(5) 4_565 4_565
C19B Zr1B C21B 110.8(6) . 4_565
C19B Zr1B C21B 55.3(5) 4_565 4_565
C21B Zr1B C21B 102.1(11) . 4_565
C1B Si1B C9B 110.7(4) . .
C1B Si1B C10B 108.2(3) . 4_565
C9B Si1B C10B 109.6(3) . 4_565
C1B Si1B C10B 108.2(3) . .
C9B Si1B C10B 109.6(3) . .
C10B Si1B C10B 110.4(5) 4_565 .
C12B Si2B C12B 113.8(5) 4_565 .
C12B Si2B C11B 107.1(3) 4_565 .
C12B Si2B C11B 107.1(3) . .
C12B Si2B C4B 110.6(3) 4_565 .
C12B Si2B C4B 110.6(3) . .
C11B Si2B C4B 107.3(4) . .
C14B Si3B C14B 110.6(5) 4_565 .
C14B Si3B C13B 105.3(3) 4_565 .
C14B Si3B C13B 105.3(3) . .
C14B Si3B C5B 109.6(3) 4_565 .
C14B Si3B C5B 109.6(3) . .
C13B Si3B C5B 116.4(4) . .
C8B Si4B C15B 108.9(3) . 4_565
C8B Si4B C15B 108.9(3) . .
C15B Si4B C15B 109.9(4) 4_565 .
C8B Si4B C16B 107.8(4) . .
C15B Si4B C16B 110.6(3) 4_565 .
C15B Si4B C16B 110.6(3) . .
C2B C1B Si1B 138.4(8) . .
C2B C1B Zr1B 74.0(6) . .
Si1B C1B Zr1B 147.6(5) . .
C1B C2B C3B 148.2(10) . .
C1B C2B Zr1B 75.3(6) . .
C3B C2B Zr1B 73.0(5) . .
C2B C3B C4B 158.0(9) . .
C2B C3B Zr1B 74.6(6) . .
C4B C3B Zr1B 127.4(7) . .
C3B C4B C5B 111.6(8) . .
C3B C4B Si2B 115.9(7) . .
C5B C4B Si2B 132.5(6) . .
C6B C5B C4B 113.1(7) . .
C6B C5B Si3B 116.6(6) . .
C4B C5B Si3B 130.3(6) . .
C5B C6B C7B 123.0(7) . .
C5B C6B Zr1B 124.1(6) . .
C7B C6B Zr1B 112.9(6) . .
C8B C7B C6B 173.5(9) . .
C7B C8B Si4B 174.4(8) . .
Si1B C9B H9BA 110.2 . .
Si1B C9B H9BB 107.8 . .
H9BA C9B H9BB 109.6 . .
Si1B C10B H10F 109.5 . .
Si1B C10B H10G 109.5 . .
H10F C10B H10G 109.5 . .
Si1B C10B H10H 109.5 . .
H10F C10B H10H 109.5 . .
H10G C10B H10H 109.5 . .
Si2B C11B H11F 110.4 . .
Si2B C11B H11G 109.1 . .
H11F C11B H11G 109.4 . .
Si2B C12B H12G 109.5 . .
Si2B C12B H12H 109.5 . .
H12G C12B H12H 109.5 . .
Si2B C12B H12I 109.5 . .
H12G C12B H12I 109.5 . .
H12H C12B H12I 109.5 . .
Si3B C13B H13G 109.1 . .
Si3B C13B H13H 109.6 . .
H13G C13B H13H 109.6 . .
Si3B C14B H14G 109.5 . .
Si3B C14B H14H 109.5 . .
H14G C14B H14H 109.5 . .
Si3B C14B H14I 109.5 . .
H14G C14B H14I 109.5 . .
H14H C14B H14I 109.5 . .
Si4B C15B H15G 109.5 . .
Si4B C15B H15H 109.5 . .
H15G C15B H15H 109.5 . .
Si4B C15B H15I 109.5 . .
H15G C15B H15I 109.5 . .
H15H C15B H15I 109.5 . .
Si4B C16B H16E 109.9 . .
Si4B C16B H16H 108.6 . .
H16E C16B H16H 109.6 . .
C21B C17B C18B 104.2(17) . .
C21B C17B Zr1B 74.3(11) . .
C18B C17B Zr1B 74.5(18) . .
C21B C17B H17H 127.9 . .
C18B C17B H17H 127.9 . .
Zr1B C17B H17H 115.9 . .
C19B C18B C17B 109.6(19) . .
C19B C18B Zr1B 72.7(17) . .
C17B C18B Zr1B 70.6(16) . .
C19B C18B H18E 125.2 . .
C17B C18B H18E 125.2 . .
Zr1B C18B H18E 123.0 . .
C18B C19B C20B 108.5(17) . .
C18B C19B Zr1B 75.9(18) . .
C20B C19B Zr1B 73.2(8) . .
C18B C19B H19E 125.7 . .
C20B C19B H19E 125.7 . .
Zr1B C19B H19E 117.1 . .
C21B C20B C19B 109.8(15) . .
C21B C20B Zr1B 74.5(9) . .
C19B C20B Zr1B 73.6(8) . .
C21B C20B H20E 125.1 . .
C19B C20B H20E 125.1 . .
Zr1B C20B H20E 118.5 . .
C20B C21B C17B 107.5(15) . .
C20B C21B Zr1B 72.6(9) . .
C17B C21B Zr1B 71.8(10) . .
C20B C21B H21C 126.2 . .
C17B C21B H21C 126.2 . .
Zr1B C21B H21C 121.2 . .
C18C C17C C21C 109.4(19) . .
C18C C17C Zr1B 72(2) . .
C21C C17C Zr1B 72.6(14) . .
C18C C17C H17I 125.3 . .
C21C C17C H17I 125.3 . .
Zr1B C17C H17I 122.1 . .
C17C C18C C19C 106(3) . .
C17C C18C Zr1B 79(2) . .
C19C C18C Zr1B 75.8(19) . .
C17C C18C H18F 127.0 . .
C19C C18C H18F 127.0 . .
Zr1B C18C H18F 111.2 . .
C20C C19C C18C 112(2) . .
C20C C19C Zr1B 74.0(14) . .
C18C C19C Zr1B 73(2) . .
C20C C19C H19F 124.1 . .
C18C C19C H19F 124.1 . .
Zr1B C19C H19F 120.6 . .
C19C C20C C21C 105.7(19) . .
C19C C20C Zr1B 76.6(12) . .
C21C C20C Zr1B 75.2(12) . .
C19C C20C H20F 127.1 . .
C21C C20C H20F 127.1 . .
Zr1B C20C H20F 113.7 . .
C17C C21C C20C 106.2(19) . .
C17C C21C Zr1B 76.5(15) . .
C20C C21C Zr1B 72.7(12) . .
C17C C21C H21D 126.9 . .
C20C C21C H21D 126.9 . .
Zr1B C21C H21D 116.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 C6 2.390(6) .
Zr1 C2 2.407(5) .
Zr1 C3 2.419(6) .
Zr1 C1 2.442(6) .
Zr1 C23 2.486(6) .
Zr1 C24 2.491(6) .
Zr1 C29 2.505(6) .
Zr1 C27 2.509(6) .
Zr1 C30 2.509(6) .
Zr1 C26 2.515(6) .
Zr1 C21 2.516(6) .
Zr1 C28 2.529(6) .
Si1 C11 1.840(7) .
Si1 C1 1.839(6) .
Si1 C9 1.845(6) .
Si1 C10 1.852(8) .
Si2 C14 1.855(8) .
Si2 C13 1.861(7) .
Si2 C12 1.871(8) .
Si2 C4 1.901(6) .
Si3 C16 1.844(7) .
Si3 C17 1.86(4) .
Si3 C15 1.862(8) .
Si3 C5 1.878(6) .
Si3 C17' 1.93(4) .
Si4 C8 1.815(6) .
Si4 C20 1.850(8) .
Si4 C18 1.859(6) .
Si4 C19 1.872(8) .
C1 C2 1.287(8) .
C2 C3 1.315(8) .
C3 C4 1.349(9) .
C4 C5 1.493(8) .
C5 C6 1.393(8) .
C6 C7 1.423(8) .
C7 C8 1.217(8) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C17' H17D 0.9800 .
C17' H17E 0.9800 .
C17' H17F 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C25 1.391(10) .
C21 C22 1.403(9) .
C21 H21A 1.0000 .
C22 C23 1.384(9) .
C22 H22A 1.0000 .
C23 C24 1.403(9) .
C23 H23A 1.0000 .
C24 C25 1.394(10) .
C24 H24A 1.0000 .
C25 H25A 1.0000 .
C26 C27 1.400(9) .
C26 C30 1.404(8) .
C26 H26A 1.0000 .
C27 C28 1.394(9) .
C27 H27A 1.0000 .
C28 C29 1.392(9) .
C28 H28A 1.0000 .
C29 C30 1.413(9) .
C29 H29A 1.0000 .
C30 H30A 1.0000 .
Zr1A C2A 2.389(8) .
Zr1A C6A 2.390(8) .
Zr1A C1A 2.394(8) .
Zr1A C3A 2.438(8) .
Zr1A C17A 2.499(7) 4_565
Zr1A C17A 2.499(7) .
Zr1A C21A 2.501(7) 4_565
Zr1A C21A 2.501(7) .
Zr1A C20A 2.505(7) 4_565
Zr1A C20A 2.505(7) .
Zr1A C18A 2.515(7) .
Zr1A C18A 2.515(7) 4_565
Si1A C1A 1.860(9) .
Si1A C9A 1.860(6) 4_565
Si1A C9A 1.860(6) .
Si1A C10A 1.867(8) .
Si2A C12A 1.862(7) .
Si2A C12A 1.862(7) 4_565
Si2A C11A 1.860(11) .
Si2A C4A 1.887(8) .
Si3A C14A 1.874(8) .
Si3A C14A 1.874(8) 4_565
Si3A C5A 1.890(9) .
Si3A C13A 1.918(13) 4_565
Si3A C13A 1.918(13) .
Si4A C8A 1.829(9) .
Si4A C15A 1.851(7) .
Si4A C15A 1.851(7) 4_565
Si4A C16A 1.880(9) .
C1A C2A 1.268(11) .
C2A C3A 1.303(12) .
C3A C4A 1.338(12) .
C4A C5A 1.503(11) .
C5A C6A 1.377(11) .
C6A C7A 1.418(11) .
C7A C8A 1.208(11) .
C9A H9AA 0.9800 .
C9A H9AB 0.9800 .
C9A H9AC 0.9800 .
C10A H10D 0.9606 .
C10A H10E 0.9627 .
C11A H11D 0.9603 .
C11A H11E 0.9609 .
C12A H12D 0.9800 .
C12A H12E 0.9800 .
C12A H12F 0.9800 .
C13A C13A 0.98(3) 4_565
C13A H13D 0.9610 .
C13A H13E 1.0166 .
C13A H13F 1.0184 .
C14A H14D 0.9800 .
C14A H14E 0.9800 .
C14A H14F 0.9800 .
C15A H15D 0.9800 .
C15A H15E 0.9800 .
C15A H15F 0.9800 .
C16A H16D 0.9606 .
C16A H16F 0.9620 .
C17A C18A 1.381(11) .
C17A C21A 1.413(11) .
C17A H17G 1.0000 .
C18A C19A 1.407(10) .
C18A H18D 1.0000 .
C19A C20A 1.395(11) .
C19A H19D 1.0000 .
C20A C21A 1.392(11) .
C20A H20D 1.0000 .
C21A H21B 1.0000 .
Zr1B C3B 2.375(9) .
Zr1B C2B 2.395(9) .
Zr1B C6B 2.397(8) .
Zr1B C17B 2.41(2) .
Zr1B C17B 2.41(2) 4_565
Zr1B C1B 2.410(9) .
Zr1B C20B 2.418(15) .
Zr1B C20B 2.418(15) 4_565
Zr1B C19B 2.424(14) .
Zr1B C19B 2.424(14) 4_565
Zr1B C21B 2.443(17) .
Zr1B C21B 2.443(17) 4_565
Si1B C1B 1.847(9) .
Si1B C9B 1.857(9) .
Si1B C10B 1.861(7) 4_565
Si1B C10B 1.861(7) .
Si2B C12B 1.852(7) 4_565
Si2B C12B 1.852(7) .
Si2B C11B 1.872(9) .
Si2B C4B 1.894(10) .
Si3B C14B 1.847(7) 4_565
Si3B C14B 1.847(7) .
Si3B C13B 1.896(10) .
Si3B C5B 1.904(8) .
Si4B C8B 1.824(10) .
Si4B C15B 1.842(6) 4_565
Si4B C15B 1.842(6) .
Si4B C16B 1.872(8) .
C1B C2B 1.272(11) .
C2B C3B 1.330(11) .
C3B C4B 1.346(11) .
C4B C5B 1.484(11) .
C5B C6B 1.381(11) .
C6B C7B 1.410(12) .
C7B C8B 1.217(12) .
C9B H9BA 0.9613 .
C9B H9BB 0.9627 .
C10B H10F 0.9800 .
C10B H10G 0.9800 .
C10B H10H 0.9800 .
C11B H11F 0.9603 .
C11B H11G 0.9608 .
C12B H12G 0.9800 .
C12B H12H 0.9800 .
C12B H12I 0.9800 .
C13B H13G 0.9626 .
C13B H13H 0.9614 .
C14B H14G 0.9800 .
C14B H14H 0.9800 .
C14B H14I 0.9800 .
C15B H15G 0.9800 .
C15B H15H 0.9800 .
C15B H15I 0.9800 .
C16B H16E 0.9615 .
C16B H16H 0.9623 .
C17B C21B 1.41(3) .
C17B C18B 1.46(3) .
C17B H17H 0.9500 .
C18B C19B 1.32(3) .
C18B H18E 0.9500 .
C19B C20B 1.383(19) .
C19B H19E 0.9500 .
C20B C21B 1.38(2) .
C20B H20E 0.9500 .
C21B H21C 0.9500 .
C17C C18C 1.36(4) .
C17C C21C 1.44(2) .
C17C H17I 0.9500 .
C18C C19C 1.44(3) .
C18C H18F 0.9500 .
C19C C20C 1.35(3) .
C19C H19F 0.9500 .
C20C C21C 1.47(3) .
C20C H20F 0.9500 .
C21C H21D 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
_geom_torsion_site_symmetry_4
C11 Si1 C1 C2 -118.5(7) . .
C9 Si1 C1 C2 1.9(8) . .
C10 Si1 C1 C2 122.3(7) . .
C11 Si1 C1 Zr1 65.8(8) . .
C9 Si1 C1 Zr1 -173.9(7) . .
C10 Si1 C1 Zr1 -53.4(8) . .
C6 Zr1 C1 C2 -1.3(5) . .
C3 Zr1 C1 C2 0.4(4) . .
C23 Zr1 C1 C2 137.6(4) . .
C24 Zr1 C1 C2 124.2(4) . .
C29 Zr1 C1 C2 -118.0(4) . .
C27 Zr1 C1 C2 -91.3(4) . .
C30 Zr1 C1 C2 -140.8(4) . .
C26 Zr1 C1 C2 -123.6(4) . .
C21 Zr1 C1 C2 84.8(4) . .
C28 Zr1 C1 C2 -84.8(4) . .
C6 Zr1 C1 Si1 175.4(7) . .
C2 Zr1 C1 Si1 176.7(10) . .
C3 Zr1 C1 Si1 177.2(8) . .
C23 Zr1 C1 Si1 -45.6(8) . .
C24 Zr1 C1 Si1 -59.0(8) . .
C29 Zr1 C1 Si1 58.7(8) . .
C27 Zr1 C1 Si1 85.5(8) . .
C30 Zr1 C1 Si1 36.0(8) . .
C26 Zr1 C1 Si1 53.1(7) . .
C21 Zr1 C1 Si1 -98.5(8) . .
C28 Zr1 C1 Si1 92.0(8) . .
Si1 C1 C2 C3 -179.4(9) . .
Zr1 C1 C2 C3 -1.4(12) . .
Si1 C1 C2 Zr1 -178.0(6) . .
C6 Zr1 C2 C1 178.9(4) . .
C3 Zr1 C2 C1 -179.3(6) . .
C23 Zr1 C2 C1 -49.4(4) . .
C24 Zr1 C2 C1 -83.1(5) . .
C29 Zr1 C2 C1 91.4(5) . .
C27 Zr1 C2 C1 85.0(4) . .
C30 Zr1 C2 C1 49.5(5) . .
C26 Zr1 C2 C1 54.1(4) . .
C21 Zr1 C2 C1 -93.7(4) . .
C28 Zr1 C2 C1 107.1(4) . .
C6 Zr1 C2 C3 -1.8(4) . .
C1 Zr1 C2 C3 179.3(6) . .
C23 Zr1 C2 C3 129.8(4) . .
C24 Zr1 C2 C3 96.2(5) . .
C29 Zr1 C2 C3 -89.4(5) . .
C27 Zr1 C2 C3 -95.7(4) . .
C30 Zr1 C2 C3 -131.2(4) . .
C26 Zr1 C2 C3 -126.6(4) . .
C21 Zr1 C2 C3 85.6(4) . .
C28 Zr1 C2 C3 -73.7(4) . .
C1 C2 C3 C4 -179.0(15) . .
Zr1 C2 C3 C4 179(2) . .
C1 C2 C3 Zr1 1.4(12) . .
C6 Zr1 C3 C2 178.0(4) . .
C1 Zr1 C3 C2 -0.4(3) . .
C23 Zr1 C3 C2 -71.0(5) . .
C24 Zr1 C3 C2 -116.4(4) . .
C29 Zr1 C3 C2 119.9(4) . .
C27 Zr1 C3 C2 82.1(4) . .
C30 Zr1 C3 C2 76.7(5) . .
C26 Zr1 C3 C2 59.6(4) . .
C21 Zr1 C3 C2 -91.6(4) . .
C28 Zr1 C3 C2 113.0(4) . .
C6 Zr1 C3 C4 -1.9(5) . .
C2 Zr1 C3 C4 -179.8(8) . .
C1 Zr1 C3 C4 179.8(6) . .
C23 Zr1 C3 C4 109.2(6) . .
C24 Zr1 C3 C4 63.7(6) . .
C29 Zr1 C3 C4 -59.9(6) . .
C27 Zr1 C3 C4 -97.7(6) . .
C30 Zr1 C3 C4 -103.2(6) . .
C26 Zr1 C3 C4 -120.2(5) . .
C21 Zr1 C3 C4 88.6(6) . .
C28 Zr1 C3 C4 -66.8(6) . .
C2 C3 C4 C5 -176.9(17) . .
Zr1 C3 C4 C5 2.6(8) . .
C2 C3 C4 Si2 7(2) . .
Zr1 C3 C4 Si2 -173.1(3) . .
C14 Si2 C4 C3 123.1(5) . .
C13 Si2 C4 C3 -109.9(5) . .
C12 Si2 C4 C3 6.7(6) . .
C14 Si2 C4 C5 -51.5(7) . .
C13 Si2 C4 C5 75.6(7) . .
C12 Si2 C4 C5 -167.8(6) . .
C3 C4 C5 C6 -1.7(8) . .
Si2 C4 C5 C6 172.9(5) . .
C3 C4 C5 Si3 176.6(5) . .
Si2 C4 C5 Si3 -8.9(10) . .
C16 Si3 C5 C6 -65.0(6) . .
C17 Si3 C5 C6 161.8(11) . .
C15 Si3 C5 C6 55.3(6) . .
C17' Si3 C5 C6 -174.1(10) . .
C16 Si3 C5 C4 116.8(6) . .
C17 Si3 C5 C4 -16.3(12) . .
C15 Si3 C5 C4 -122.9(6) . .
C17' Si3 C5 C4 7.7(11) . .
C4 C5 C6 C7 179.8(6) . .
Si3 C5 C6 C7 1.3(8) . .
C4 C5 C6 Zr1 0.3(7) . .
Si3 C5 C6 Zr1 -178.2(3) . .
C2 Zr1 C6 C5 1.8(5) . .
C3 Zr1 C6 C5 0.7(5) . .
C1 Zr1 C6 C5 2.4(6) . .
C23 Zr1 C6 C5 -126.7(5) . .
C24 Zr1 C6 C5 -136.9(5) . .
C29 Zr1 C6 C5 138.7(5) . .
C27 Zr1 C6 C5 86.3(5) . .
C30 Zr1 C6 C5 137.2(5) . .
C26 Zr1 C6 C5 100.1(5) . .
C21 Zr1 C6 C5 -83.9(5) . .
C28 Zr1 C6 C5 108.8(5) . .
C2 Zr1 C6 C7 -177.8(4) . .
C3 Zr1 C6 C7 -178.9(5) . .
C1 Zr1 C6 C7 -177.1(4) . .
C23 Zr1 C6 C7 53.8(5) . .
C24 Zr1 C6 C7 43.5(5) . .
C29 Zr1 C6 C7 -40.8(4) . .
C27 Zr1 C6 C7 -93.3(5) . .
C30 Zr1 C6 C7 -42.3(5) . .
C26 Zr1 C6 C7 -79.4(5) . .
C21 Zr1 C6 C7 96.5(5) . .
C28 Zr1 C6 C7 -70.7(5) . .
C5 C6 C7 C8 172(4) . .
Zr1 C6 C7 C8 -8(5) . .
C6 C7 C8 Si4 -139(23) . .
C20 Si4 C8 C7 43(26) . .
C18 Si4 C8 C7 163(26) . .
C19 Si4 C8 C7 -77(26) . .
C6 Zr1 C21 C25 -56.1(4) . .
C2 Zr1 C21 C25 -151.5(4) . .
C3 Zr1 C21 C25 -119.8(4) . .
C1 Zr1 C21 C25 177.8(4) . .
C23 Zr1 C21 C25 78.6(4) . .
C24 Zr1 C21 C25 37.4(4) . .
C29 Zr1 C21 C25 23.5(6) . .
C27 Zr1 C21 C25 -158.8(12) . .
C30 Zr1 C21 C25 70.3(5) . .
C26 Zr1 C21 C25 117.6(5) . .
C28 Zr1 C21 C25 -25.8(7) . .
C6 Zr1 C21 C22 -171.4(4) . .
C2 Zr1 C21 C22 93.3(4) . .
C3 Zr1 C21 C22 125.0(4) . .
C1 Zr1 C21 C22 62.5(4) . .
C23 Zr1 C21 C22 -36.7(4) . .
C24 Zr1 C21 C22 -77.9(4) . .
C29 Zr1 C21 C22 -91.7(5) . .
C27 Zr1 C21 C22 85.9(14) . .
C30 Zr1 C21 C22 -45.0(6) . .
C26 Zr1 C21 C22 2.3(7) . .
C28 Zr1 C21 C22 -141.1(5) . .
C25 C21 C22 C23 -2.8(8) . .
Zr1 C21 C22 C23 64.5(4) . .
C25 C21 C22 Zr1 -67.3(5) . .
C6 Zr1 C22 C23 -105.2(4) . .
C2 Zr1 C22 C23 159.8(4) . .
C3 Zr1 C22 C23 -171.9(4) . .
C1 Zr1 C22 C23 131.9(5) . .
C24 Zr1 C22 C23 -38.1(4) . .
C29 Zr1 C22 C23 3.2(5) . .
C27 Zr1 C22 C23 82.7(5) . .
C30 Zr1 C22 C23 32.1(5) . .
C26 Zr1 C22 C23 66.2(5) . .
C21 Zr1 C22 C23 -115.2(6) . .
C28 Zr1 C22 C23 14.1(9) . .
C6 Zr1 C22 C21 10.0(5) . .
C2 Zr1 C22 C21 -85.1(4) . .
C3 Zr1 C22 C21 -56.7(4) . .
C1 Zr1 C22 C21 -112.9(4) . .
C23 Zr1 C22 C21 115.2(6) . .
C24 Zr1 C22 C21 77.1(5) . .
C29 Zr1 C22 C21 118.4(4) . .
C27 Zr1 C22 C21 -162.1(4) . .
C30 Zr1 C22 C21 147.3(4) . .
C26 Zr1 C22 C21 -178.7(4) . .
C28 Zr1 C22 C21 129.3(7) . .
C21 C22 C23 C24 2.2(7) . .
Zr1 C22 C23 C24 67.4(4) . .
C21 C22 C23 Zr1 -65.2(5) . .
C6 Zr1 C23 C22 94.7(5) . .
C2 Zr1 C23 C22 -23.1(5) . .
C3 Zr1 C23 C22 11.1(6) . .
C1 Zr1 C23 C22 -46.1(4) . .
C24 Zr1 C23 C22 113.9(6) . .
C29 Zr1 C23 C22 -177.5(4) . .
C27 Zr1 C23 C22 -131.7(4) . .
C30 Zr1 C23 C22 -149.1(5) . .
C26 Zr1 C23 C22 -123.1(4) . .
C21 Zr1 C23 C22 37.0(4) . .
C28 Zr1 C23 C22 -174.0(4) . .
C6 Zr1 C23 C24 -19.2(5) . .
C2 Zr1 C23 C24 -137.0(4) . .
C3 Zr1 C23 C24 -102.8(5) . .
C1 Zr1 C23 C24 -160.0(4) . .
C29 Zr1 C23 C24 68.7(4) . .
C27 Zr1 C23 C24 114.4(4) . .
C30 Zr1 C23 C24 97.1(4) . .
C26 Zr1 C23 C24 123.0(4) . .
C21 Zr1 C23 C24 -76.8(4) . .
C28 Zr1 C23 C24 72.2(5) . .
C22 C23 C24 C25 -0.8(8) . .
Zr1 C23 C24 C25 67.9(5) . .
C22 C23 C24 Zr1 -68.8(4) . .
C6 Zr1 C24 C25 49.1(4) . .
C2 Zr1 C24 C25 -50.4(6) . .
C3 Zr1 C24 C25 -5.6(6) . .
C1 Zr1 C24 C25 -89.8(5) . .
C23 Zr1 C24 C25 -114.9(6) . .
C29 Zr1 C24 C25 133.4(5) . .
C27 Zr1 C24 C25 146.9(4) . .
C30 Zr1 C24 C25 166.2(5) . .
C26 Zr1 C24 C25 178.5(4) . .
C21 Zr1 C24 C25 -37.1(4) . .
C28 Zr1 C24 C25 119.1(4) . .
C6 Zr1 C24 C23 163.9(4) . .
C2 Zr1 C24 C23 64.5(5) . .
C3 Zr1 C24 C23 109.3(4) . .
C1 Zr1 C24 C23 25.1(5) . .
C29 Zr1 C24 C23 -111.7(4) . .
C27 Zr1 C24 C23 -98.2(5) . .
C30 Zr1 C24 C23 -78.9(4) . .
C26 Zr1 C24 C23 -66.6(4) . .
C21 Zr1 C24 C23 77.8(4) . .
C28 Zr1 C24 C23 -126.0(4) . .
C22 C21 C25 C24 2.2(8) . .
Zr1 C21 C25 C24 -65.0(5) . .
C22 C21 C25 Zr1 67.2(5) . .
C23 C24 C25 C21 -0.9(8) . .
Zr1 C24 C25 C21 65.7(5) . .
C23 C24 C25 Zr1 -66.6(5) . .
C6 Zr1 C25 C21 118.6(4) . .
C2 Zr1 C25 C21 31.4(5) . .
C3 Zr1 C25 C21 61.3(4) . .
C1 Zr1 C25 C21 -2.5(5) . .
C23 Zr1 C25 C21 -77.0(4) . .
C24 Zr1 C25 C21 -114.4(6) . .
C29 Zr1 C25 C21 -163.4(4) . .
C27 Zr1 C25 C21 170.7(5) . .
C30 Zr1 C25 C21 -129.9(4) . .
C26 Zr1 C25 C21 -117.0(5) . .
C28 Zr1 C25 C21 167.2(4) . .
C6 Zr1 C25 C24 -126.9(5) . .
C2 Zr1 C25 C24 145.8(4) . .
C3 Zr1 C25 C24 175.8(4) . .
C1 Zr1 C25 C24 111.9(5) . .
C23 Zr1 C25 C24 37.4(4) . .
C29 Zr1 C25 C24 -48.9(5) . .
C27 Zr1 C25 C24 -74.8(7) . .
C30 Zr1 C25 C24 -15.4(5) . .
C26 Zr1 C25 C24 -2.6(7) . .
C21 Zr1 C25 C24 114.4(6) . .
C28 Zr1 C25 C24 -78.3(5) . .
C6 Zr1 C26 C27 -26.5(5) . .
C2 Zr1 C26 C27 72.5(4) . .
C3 Zr1 C26 C27 45.6(4) . .
C1 Zr1 C26 C27 97.8(4) . .
C23 Zr1 C26 C27 -168.0(4) . .
C24 Zr1 C26 C27 -137.7(4) . .
C29 Zr1 C26 C27 -76.8(4) . .
C30 Zr1 C26 C27 -114.5(6) . .
C21 Zr1 C26 C27 161.2(4) . .
C28 Zr1 C26 C27 -36.7(4) . .
C6 Zr1 C26 C30 88.0(4) . .
C2 Zr1 C26 C30 -173.0(4) . .
C3 Zr1 C26 C30 160.1(4) . .
C1 Zr1 C26 C30 -147.7(4) . .
C23 Zr1 C26 C30 -53.5(4) . .
C24 Zr1 C26 C30 -23.2(5) . .
C29 Zr1 C26 C30 37.7(4) . .
C27 Zr1 C26 C30 114.5(6) . .
C21 Zr1 C26 C30 -84.3(5) . .
C28 Zr1 C26 C30 77.8(4) . .
C30 C26 C27 C28 1.0(7) . .
Zr1 C26 C27 C28 67.3(4) . .
C30 C26 C27 Zr1 -66.2(4) . .
C6 Zr1 C27 C28 43.0(4) . .
C2 Zr1 C27 C28 137.8(4) . .
C3 Zr1 C27 C28 106.3(4) . .
C1 Zr1 C27 C28 168.8(4) . .
C23 Zr1 C27 C28 -99.3(5) . .
C24 Zr1 C27 C28 -53.7(6) . .
C29 Zr1 C27 C28 -36.8(4) . .
C30 Zr1 C27 C28 -77.9(4) . .
C26 Zr1 C27 C28 -115.2(6) . .
C21 Zr1 C27 C28 145.2(12) . .
C6 Zr1 C27 C26 158.2(4) . .
C2 Zr1 C27 C26 -107.0(4) . .
C3 Zr1 C27 C26 -138.4(4) . .
C1 Zr1 C27 C26 -76.0(4) . .
C23 Zr1 C27 C26 15.9(5) . .
C24 Zr1 C27 C26 61.5(5) . .
C29 Zr1 C27 C26 78.4(4) . .
C30 Zr1 C27 C26 37.4(4) . .
C21 Zr1 C27 C26 -99.6(14) . .
C28 Zr1 C27 C26 115.2(6) . .
C26 C27 C28 C29 -1.5(7) . .
Zr1 C27 C28 C29 65.3(4) . .
C26 C27 C28 Zr1 -66.8(4) . .
C6 Zr1 C28 C29 110.8(4) . .
C2 Zr1 C28 C29 -159.8(4) . .
C3 Zr1 C28 C29 169.8(4) . .
C1 Zr1 C28 C29 -127.4(4) . .
C23 Zr1 C28 C29 -6.5(5) . .
C24 Zr1 C28 C29 27.6(5) . .
C27 Zr1 C28 C29 -115.2(6) . .
C30 Zr1 C28 C29 -37.6(4) . .
C26 Zr1 C28 C29 -78.2(4) . .
C21 Zr1 C28 C29 78.6(7) . .
C6 Zr1 C28 C27 -134.0(4) . .
C2 Zr1 C28 C27 -44.6(4) . .
C3 Zr1 C28 C27 -75.0(4) . .
C1 Zr1 C28 C27 -12.2(5) . .
C23 Zr1 C28 C27 108.6(4) . .
C24 Zr1 C28 C27 142.8(4) . .
C29 Zr1 C28 C27 115.2(6) . .
C30 Zr1 C28 C27 77.6(4) . .
C26 Zr1 C28 C27 37.0(4) . .
C21 Zr1 C28 C27 -166.2(5) . .
C27 C28 C29 C30 1.4(7) . .
Zr1 C28 C29 C30 66.8(4) . .
C27 C28 C29 Zr1 -65.4(4) . .
C6 Zr1 C29 C28 -62.7(4) . .
C2 Zr1 C29 C28 29.0(6) . .
C3 Zr1 C29 C28 -13.0(5) . .
C1 Zr1 C29 C28 70.7(5) . .
C23 Zr1 C29 C28 174.9(4) . .
C24 Zr1 C29 C28 -154.7(5) . .
C27 Zr1 C29 C28 36.9(4) . .
C30 Zr1 C29 C28 114.7(6) . .
C26 Zr1 C29 C28 77.4(4) . .
C21 Zr1 C29 C28 -143.7(4) . .
C6 Zr1 C29 C30 -177.5(4) . .
C2 Zr1 C29 C30 -85.7(5) . .
C3 Zr1 C29 C30 -127.7(4) . .
C1 Zr1 C29 C30 -44.1(5) . .
C23 Zr1 C29 C30 60.1(4) . .
C24 Zr1 C29 C30 90.5(4) . .
C27 Zr1 C29 C30 -77.9(4) . .
C26 Zr1 C29 C30 -37.3(4) . .
C21 Zr1 C29 C30 101.6(5) . .
C28 Zr1 C29 C30 -114.7(6) . .
C27 C26 C30 C29 -0.1(7) . .
Zr1 C26 C30 C29 -66.4(4) . .
C27 C26 C30 Zr1 66.3(4) . .
C28 C29 C30 C26 -0.8(7) . .
Zr1 C29 C30 C26 66.8(4) . .
C28 C29 C30 Zr1 -67.5(4) . .
C6 Zr1 C30 C26 -111.4(4) . .
C2 Zr1 C30 C26 8.7(5) . .
C3 Zr1 C30 C26 -30.5(6) . .
C1 Zr1 C30 C26 32.3(4) . .
C23 Zr1 C30 C26 126.6(4) . .
C24 Zr1 C30 C26 159.2(4) . .
C29 Zr1 C30 C26 -114.2(6) . .
C27 Zr1 C30 C26 -37.3(4) . .
C21 Zr1 C30 C26 133.3(4) . .
C28 Zr1 C30 C26 -77.4(4) . .
C6 Zr1 C30 C29 2.8(4) . .
C2 Zr1 C30 C29 122.9(4) . .
C3 Zr1 C30 C29 83.7(5) . .
C1 Zr1 C30 C29 146.5(4) . .
C23 Zr1 C30 C29 -119.2(4) . .
C24 Zr1 C30 C29 -86.6(4) . .
C27 Zr1 C30 C29 77.0(4) . .
C26 Zr1 C30 C29 114.2(6) . .
C21 Zr1 C30 C29 -112.4(4) . .
C28 Zr1 C30 C29 36.8(4) . .
C9A Si1A C1A C2A -120.6(2) 4_565 .
C9A Si1A C1A C2A 120.6(2) . .
C10A Si1A C1A C2A 0.000(2) . .
C9A Si1A C1A Zr1A 59.4(2) 4_565 .
C9A Si1A C1A Zr1A -59.4(2) . .
C10A Si1A C1A Zr1A 180.000(1) . .
C6A Zr1A C1A C2A 0.000(1) . .
C3A Zr1A C1A C2A 0.0 . .
C17A Zr1A C1A C2A 119.7(3) 4_565 .
C17A Zr1A C1A C2A -119.7(3) . .
C21A Zr1A C1A C2A 139.8(2) 4_565 .
C21A Zr1A C1A C2A -139.8(2) . .
C20A Zr1A C1A C2A 120.6(2) 4_565 .
C20A Zr1A C1A C2A -120.6(2) . .
C18A Zr1A C1A C2A -84.6(3) . .
C18A Zr1A C1A C2A 84.6(2) 4_565 .
C2A Zr1A C1A Si1A 180.000(2) . .
C6A Zr1A C1A Si1A 180.0 . .
C3A Zr1A C1A Si1A 180.000(1) . .
C17A Zr1A C1A Si1A -60.3(3) 4_565 .
C17A Zr1A C1A Si1A 60.3(3) . .
C21A Zr1A C1A Si1A -40.2(2) 4_565 .
C21A Zr1A C1A Si1A 40.2(2) . .
C20A Zr1A C1A Si1A -59.4(2) 4_565 .
C20A Zr1A C1A Si1A 59.4(2) . .
C18A Zr1A C1A Si1A 95.4(3) . .
C18A Zr1A C1A Si1A -95.4(3) 4_565 .
Si1A C1A C2A C3A 180.000(2) . .
Zr1A C1A C2A C3A 0.000(2) . .
Si1A C1A C2A Zr1A 180.000(2) . .
C6A Zr1A C2A C1A 180.000(1) . .
C3A Zr1A C2A C1A 180.000(1) . .
C17A Zr1A C2A C1A -90.0(4) 4_565 .
C17A Zr1A C2A C1A 90.0(4) . .
C21A Zr1A C2A C1A -49.7(3) 4_565 .
C21A Zr1A C2A C1A 49.7(3) . .
C20A Zr1A C2A C1A -56.8(2) 4_565 .
C20A Zr1A C2A C1A 56.8(2) . .
C18A Zr1A C2A C1A 108.7(2) . .
C18A Zr1A C2A C1A -108.7(2) 4_565 .
C6A Zr1A C2A C3A 0.0 . .
C1A Zr1A C2A C3A 180.000(1) . .
C17A Zr1A C2A C3A 90.0(4) 4_565 .
C17A Zr1A C2A C3A -90.0(4) . .
C21A Zr1A C2A C3A 130.3(3) 4_565 .
C21A Zr1A C2A C3A -130.3(3) . .
C20A Zr1A C2A C3A 123.2(2) 4_565 .
C20A Zr1A C2A C3A -123.2(2) . .
C18A Zr1A C2A C3A -71.3(2) . .
C18A Zr1A C2A C3A 71.3(2) 4_565 .
C1A C2A C3A C4A 180.000(3) . .
Zr1A C2A C3A C4A 180.000(3) . .
C1A C2A C3A Zr1A 0.000(2) . .
C6A Zr1A C3A C2A 180.0 . .
C1A Zr1A C3A C2A 0.0 . .
C17A Zr1A C3A C2A -120.0(3) 4_565 .
C17A Zr1A C3A C2A 120.0(3) . .
C21A Zr1A C3A C2A -75.4(4) 4_565 .
C21A Zr1A C3A C2A 75.4(4) . .
C20A Zr1A C3A C2A -62.1(2) 4_565 .
C20A Zr1A C3A C2A 62.1(2) . .
C18A Zr1A C3A C2A 115.96(18) . .
C18A Zr1A C3A C2A -115.96(18) 4_565 .
C2A Zr1A C3A C4A 180.000(1) . .
C6A Zr1A C3A C4A 0.0 . .
C1A Zr1A C3A C4A 180.0 . .
C17A Zr1A C3A C4A 60.0(3) 4_565 .
C17A Zr1A C3A C4A -60.0(3) . .
C21A Zr1A C3A C4A 104.6(4) 4_565 .
C21A Zr1A C3A C4A -104.6(4) . .
C20A Zr1A C3A C4A 117.9(2) 4_565 .
C20A Zr1A C3A C4A -117.9(2) . .
C18A Zr1A C3A C4A -64.04(18) . .
C18A Zr1A C3A C4A 64.04(18) 4_565 .
C2A C3A C4A C5A 180.000(2) . .
Zr1A C3A C4A C5A 0.0 . .
C2A C3A C4A Si2A 0.000(3) . .
Zr1A C3A C4A Si2A 180.0 . .
C12A Si2A C4A C3A -116.1(3) . .
C12A Si2A C4A C3A 116.1(3) 4_565 .
C11A Si2A C4A C3A 0.0 . .
C12A Si2A C4A C5A 63.9(3) . .
C12A Si2A C4A C5A -63.9(3) 4_565 .
C11A Si2A C4A C5A 180.0 . .
C3A C4A C5A C6A 0.0 . .
Si2A C4A C5A C6A 180.0 . .
C3A C4A C5A Si3A 180.0 . .
Si2A C4A C5A Si3A 0.0 . .
C14A Si3A C5A C6A 60.1(3) . .
C14A Si3A C5A C6A -60.1(3) 4_565 .
C13A Si3A C5A C6A 163.5(5) 4_565 .
C13A Si3A C5A C6A -163.5(5) . .
C14A Si3A C5A C4A -119.9(3) . .
C14A Si3A C5A C4A 119.9(3) 4_565 .
C13A Si3A C5A C4A -16.5(5) 4_565 .
C13A Si3A C5A C4A 16.5(5) . .
C4A C5A C6A C7A 180.0 . .
Si3A C5A C6A C7A 0.0 . .
C4A C5A C6A Zr1A 0.0 . .
Si3A C5A C6A Zr1A 180.0 . .
C2A Zr1A C6A C5A 0.0 . .
C1A Zr1A C6A C5A 0.0 . .
C3A Zr1A C6A C5A 0.0 . .
C17A Zr1A C6A C5A -138.0(2) 4_565 .
C17A Zr1A C6A C5A 138.0(2) . .
C21A Zr1A C6A C5A -133.7(3) 4_565 .
C21A Zr1A C6A C5A 133.7(3) . .
C20A Zr1A C6A C5A -96.0(3) 4_565 .
C20A Zr1A C6A C5A 96.0(3) . .
C18A Zr1A C6A C5A 109.5(2) . .
C18A Zr1A C6A C5A -109.5(2) 4_565 .
C2A Zr1A C6A C7A 180.0 . .
C1A Zr1A C6A C7A 180.0 . .
C3A Zr1A C6A C7A 180.0 . .
C17A Zr1A C6A C7A 42.0(2) 4_565 .
C17A Zr1A C6A C7A -42.0(2) . .
C21A Zr1A C6A C7A 46.3(3) 4_565 .
C21A Zr1A C6A C7A -46.3(3) . .
C20A Zr1A C6A C7A 84.0(3) 4_565 .
C20A Zr1A C6A C7A -84.0(3) . .
C18A Zr1A C6A C7A -70.5(2) . .
C18A Zr1A C6A C7A 70.5(2) 4_565 .
C5A C6A C7A C8A 180.000(8) . .
Zr1A C6A C7A C8A 0.000(8) . .
C6A C7A C8A Si4A 180.00(9) . .
C15A Si4A C8A C7A -59.9(3) . .
C15A Si4A C8A C7A 59.9(3) 4_565 .
C16A Si4A C8A C7A 180.00(9) . .
C14A Si3A C13A C13A 35.1(3) . 4_565
C14A Si3A C13A C13A 149.4(3) 4_565 4_565
C5A Si3A C13A C13A -97.3(2) . 4_565
C2A Zr1A C17A C18A 34.7(7) . .
C6A Zr1A C17A C18A -58.3(5) . .
C1A Zr1A C17A C18A 76.4(6) . .
C3A Zr1A C17A C18A -7.6(6) . .
C17A Zr1A C17A C18A -145.4(4) 4_565 .
C21A Zr1A C17A C18A -177.7(5) 4_565 .
C21A Zr1A C17A C18A 114.8(8) . .
C20A Zr1A C17A C18A 174.7(5) 4_565 .
C20A Zr1A C17A C18A 77.4(5) . .
C18A Zr1A C17A C18A -126.7(6) 4_565 .
C2A Zr1A C17A C21A -80.1(7) . .
C6A Zr1A C17A C21A -173.1(6) . .
C1A Zr1A C17A C21A -38.4(7) . .
C3A Zr1A C17A C21A -122.4(6) . .
C17A Zr1A C17A C21A 99.9(6) 4_565 .
C21A Zr1A C17A C21A 67.6(7) 4_565 .
C20A Zr1A C17A C21A 59.9(7) 4_565 .
C20A Zr1A C17A C21A -37.4(6) . .
C18A Zr1A C17A C21A -114.8(8) . .
C18A Zr1A C17A C21A 118.5(6) 4_565 .
C21A C17A C18A C19A 0.4(9) . .
Zr1A C17A C18A C19A -66.2(5) . .
C21A C17A C18A Zr1A 66.6(6) . .
C2A Zr1A C18A C17A -156.1(5) . .
C6A Zr1A C18A C17A 116.0(5) . .
C1A Zr1A C18A C17A -123.4(5) . .
C3A Zr1A C18A C17A 174.1(5) . .
C17A Zr1A C18A C17A 37.0(5) 4_565 .
C21A Zr1A C18A C17A 2.8(6) 4_565 .
C21A Zr1A C18A C17A -37.7(5) . .
C20A Zr1A C18A C17A -10.1(9) 4_565 .
C20A Zr1A C18A C17A -78.1(5) . .
C18A Zr1A C18A C17A 68.7(7) 4_565 .
C2A Zr1A C18A C19A -40.8(6) . .
C6A Zr1A C18A C19A -128.6(6) . .
C1A Zr1A C18A C19A -8.0(6) . .
C3A Zr1A C18A C19A -70.5(6) . .
C17A Zr1A C18A C19A 152.4(5) 4_565 .
C17A Zr1A C18A C19A 115.4(8) . .
C21A Zr1A C18A C19A 118.2(6) 4_565 .
C21A Zr1A C18A C19A 77.7(6) . .
C20A Zr1A C18A C19A 105.3(8) 4_565 .
C20A Zr1A C18A C19A 37.3(5) . .
C18A Zr1A C18A C19A -176.0(4) 4_565 .
C17A C18A C19A C20A -0.3(9) . .
Zr1A C18A C19A C20A -66.1(5) . .
C17A C18A C19A Zr1A 65.8(6) . .
C2A Zr1A C19A C20A -103.8(5) . .
C6A Zr1A C19A C20A 162.0(5) . .
C1A Zr1A C19A C20A -72.9(5) . .
C3A Zr1A C19A C20A -135.2(5) . .
C17A Zr1A C19A C20A 74.2(6) 4_565 .
C17A Zr1A C19A C20A 77.8(5) . .
C21A Zr1A C19A C20A 28.3(6) 4_565 .
C21A Zr1A C19A C20A 36.7(4) . .
C20A Zr1A C19A C20A -17.0(6) 4_565 .
C18A Zr1A C19A C20A 114.3(8) . .
C18A Zr1A C19A C20A 123.2(8) 4_565 .
C2A Zr1A C19A C18A 141.9(6) . .
C6A Zr1A C19A C18A 47.7(6) . .
C1A Zr1A C19A C18A 172.8(6) . .
C3A Zr1A C19A C18A 110.6(6) . .
C17A Zr1A C19A C18A -40.0(7) 4_565 .
C17A Zr1A C19A C18A -36.5(5) . .
C21A Zr1A C19A C18A -86.0(6) 4_565 .
C21A Zr1A C19A C18A -77.6(6) . .
C20A Zr1A C19A C18A -131.3(6) 4_565 .
C20A Zr1A C19A C18A -114.3(8) . .
C18A Zr1A C19A C18A 8.9(9) 4_565 .
C18A C19A C20A C21A 0.2(9) . .
Zr1A C19A C20A C21A -66.2(6) . .
C18A C19A C20A Zr1A 66.3(5) . .
C2A Zr1A C20A C21A -169.0(5) . .
C6A Zr1A C20A C21A 94.0(6) . .
C1A Zr1A C20A C21A -142.8(6) . .
C3A Zr1A C20A C21A 163.7(5) . .
C17A Zr1A C20A C21A -14.4(6) 4_565 .
C17A Zr1A C20A C21A 38.0(5) . .
C21A Zr1A C20A C21A -43.1(5) 4_565 .
C20A Zr1A C20A C21A -75.0(6) 4_565 .
C18A Zr1A C20A C21A 78.1(5) . .
C18A Zr1A C20A C21A -20.7(9) 4_565 .
C2A Zr1A C20A C19A 75.4(5) . .
C6A Zr1A C20A C19A -21.6(6) . .
C1A Zr1A C20A C19A 101.5(5) . .
C3A Zr1A C20A C19A 48.0(5) . .
C17A Zr1A C20A C19A -130.1(5) 4_565 .
C17A Zr1A C20A C19A -77.6(5) . .
C21A Zr1A C20A C19A -158.7(5) 4_565 .
C21A Zr1A C20A C19A -115.6(7) . .
C20A Zr1A C20A C19A 169.4(4) 4_565 .
C18A Zr1A C20A C19A -37.5(5) . .
C18A Zr1A C20A C19A -136.3(7) 4_565 .
C19A C20A C21A C17A 0.1(9) . .
Zr1A C20A C21A C17A -66.6(6) . .
C19A C20A C21A Zr1A 66.7(5) . .
C18A C17A C21A C20A -0.3(9) . .
Zr1A C17A C21A C20A 66.9(5) . .
C18A C17A C21A Zr1A -67.2(6) . .
C2A Zr1A C21A C20A 13.4(7) . .
C6A Zr1A C21A C20A -105.9(5) . .
C1A Zr1A C21A C20A 36.9(6) . .
C3A Zr1A C21A C20A -24.1(7) . .
C17A Zr1A C21A C20A 167.7(5) 4_565 .
C17A Zr1A C21A C20A -113.9(9) . .
C21A Zr1A C21A C20A 136.9(5) 4_565 .
C20A Zr1A C21A C20A 115.0(6) 4_565 .
C18A Zr1A C21A C20A -77.2(6) . .
C18A Zr1A C21A C20A 169.2(5) 4_565 .
C2A Zr1A C21A C17A 127.2(6) . .
C6A Zr1A C21A C17A 7.9(7) . .
C1A Zr1A C21A C17A 150.7(6) . .
C3A Zr1A C21A C17A 89.8(7) . .
C17A Zr1A C21A C17A -78.4(7) 4_565 .
C21A Zr1A C21A C17A -109.2(6) 4_565 .
C20A Zr1A C21A C17A -131.1(6) 4_565 .
C20A Zr1A C21A C17A 113.9(9) . .
C18A Zr1A C21A C17A 36.6(5) . .
C18A Zr1A C21A C17A -76.9(7) 4_565 .
C9B Si1B C1B C2B 180.000(4) . .
C10B Si1B C1B C2B 59.8(3) 4_565 .
C10B Si1B C1B C2B -59.8(3) . .
C9B Si1B C1B Zr1B 0.000(3) . .
C10B Si1B C1B Zr1B -120.2(3) 4_565 .
C10B Si1B C1B Zr1B 120.2(3) . .
C3B Zr1B C1B C2B 0.000(3) . .
C6B Zr1B C1B C2B 0.000(3) . .
C17B Zr1B C1B C2B 93.7(5) . .
C17B Zr1B C1B C2B -93.7(5) 4_565 .
C20B Zr1B C1B C2B 146.1(4) . .
C20B Zr1B C1B C2B -146.1(4) 4_565 .
C19B Zr1B C1B C2B 125.6(6) . .
C19B Zr1B C1B C2B -125.6(6) 4_565 .
C21B Zr1B C1B C2B 127.3(6) . .
C21B Zr1B C1B C2B -127.3(6) 4_565 .
C3B Zr1B C1B Si1B 180.000(2) . .
C2B Zr1B C1B Si1B 180.000(4) . .
C6B Zr1B C1B Si1B 180.000(1) . .
C17B Zr1B C1B Si1B -86.3(5) . .
C17B Zr1B C1B Si1B 86.3(5) 4_565 .
C20B Zr1B C1B Si1B -33.9(4) . .
C20B Zr1B C1B Si1B 33.9(4) 4_565 .
C19B Zr1B C1B Si1B -54.4(6) . .
C19B Zr1B C1B Si1B 54.4(6) 4_565 .
C21B Zr1B C1B Si1B -52.7(6) . .
C21B Zr1B C1B Si1B 52.7(6) 4_565 .
Si1B C1B C2B C3B 180.000(5) . .
Zr1B C1B C2B C3B 0.000(5) . .
Si1B C1B C2B Zr1B 180.000(4) . .
C3B Zr1B C2B C1B 180.000(3) . .
C6B Zr1B C2B C1B 180.000(2) . .
C17B Zr1B C2B C1B -84.2(5) . .
C17B Zr1B C2B C1B 84.2(5) 4_565 .
C20B Zr1B C2B C1B -44.0(5) . .
C20B Zr1B C2B C1B 44.0(5) 4_565 .
C19B Zr1B C2B C1B -88.4(7) . .
C19B Zr1B C2B C1B 88.4(7) 4_565 .
C21B Zr1B C2B C1B -51.6(5) . .
C21B Zr1B C2B C1B 51.6(5) 4_565 .
C6B Zr1B C2B C3B 0.000(3) . .
C17B Zr1B C2B C3B 95.8(5) . .
C17B Zr1B C2B C3B -95.8(5) 4_565 .
C1B Zr1B C2B C3B 180.000(3) . .
C20B Zr1B C2B C3B 136.0(5) . .
C20B Zr1B C2B C3B -136.0(5) 4_565 .
C19B Zr1B C2B C3B 91.6(7) . .
C19B Zr1B C2B C3B -91.6(7) 4_565 .
C21B Zr1B C2B C3B 128.4(5) . .
C21B Zr1B C2B C3B -128.4(5) 4_565 .
C1B C2B C3B C4B 180.000(7) . .
Zr1B C2B C3B C4B 180.000(8) . .
C1B C2B C3B Zr1B 0.000(5) . .
C6B Zr1B C3B C2B 180.000(2) . .
C17B Zr1B C3B C2B -83.8(5) . .
C17B Zr1B C3B C2B 83.8(5) 4_565 .
C1B Zr1B C3B C2B 0.000(2) . .
C20B Zr1B C3B C2B -76.1(7) . .
C20B Zr1B C3B C2B 76.1(7) 4_565 .
C19B Zr1B C3B C2B -125.1(5) . .
C19B Zr1B C3B C2B 125.1(5) 4_565 .
C21B Zr1B C3B C2B -59.6(5) . .
C21B Zr1B C3B C2B 59.6(5) 4_565 .
C2B Zr1B C3B C4B 180.000(4) . .
C6B Zr1B C3B C4B 0.000(3) . .
C17B Zr1B C3B C4B 96.2(5) . .
C17B Zr1B C3B C4B -96.2(5) 4_565 .
C1B Zr1B C3B C4B 180.000(3) . .
C20B Zr1B C3B C4B 103.9(7) . .
C20B Zr1B C3B C4B -103.9(7) 4_565 .
C19B Zr1B C3B C4B 54.9(5) . .
C19B Zr1B C3B C4B -54.9(5) 4_565 .
C21B Zr1B C3B C4B 120.4(5) . .
C21B Zr1B C3B C4B -120.4(5) 4_565 .
C2B C3B C4B C5B 180.000(7) . .
Zr1B C3B C4B C5B 0.000(4) . .
C2B C3B C4B Si2B 0.000(8) . .
Zr1B C3B C4B Si2B 180.000(2) . .
C12B Si2B C4B C3B -116.5(3) 4_565 .
C12B Si2B C4B C3B 116.5(3) . .
C11B Si2B C4B C3B 0.000(3) . .
C12B Si2B C4B C5B 63.5(3) 4_565 .
C12B Si2B C4B C5B -63.5(3) . .
C11B Si2B C4B C5B 180.000(3) . .
C3B C4B C5B C6B 0.000(4) . .
Si2B C4B C5B C6B 180.000(3) . .
C3B C4B C5B Si3B 180.000(3) . .
Si2B C4B C5B Si3B 0.000(4) . .
C14B Si3B C5B C6B 60.7(3) 4_565 .
C14B Si3B C5B C6B -60.7(3) . .
C13B Si3B C5B C6B 180.000(2) . .
C14B Si3B C5B C4B -119.3(3) 4_565 .
C14B Si3B C5B C4B 119.3(3) . .
C13B Si3B C5B C4B 0.000(3) . .
C4B C5B C6B C7B 180.000(3) . .
Si3B C5B C6B C7B 0.000(3) . .
C4B C5B C6B Zr1B 0.000(3) . .
Si3B C5B C6B Zr1B 180.000(1) . .
C3B Zr1B C6B C5B 0.000(2) . .
C2B Zr1B C6B C5B 0.000(2) . .
C17B Zr1B C6B C5B -88.2(5) . .
C17B Zr1B C6B C5B 88.2(5) 4_565 .
C1B Zr1B C6B C5B 0.000(2) . .
C20B Zr1B C6B C5B -141.9(5) . .
C20B Zr1B C6B C5B 141.9(5) 4_565 .
C19B Zr1B C6B C5B -143.4(4) . .
C19B Zr1B C6B C5B 143.4(4) 4_565 .
C21B Zr1B C6B C5B -103.5(6) . .
C21B Zr1B C6B C5B 103.5(6) 4_565 .
C3B Zr1B C6B C7B 180.000(2) . .
C2B Zr1B C6B C7B 180.000(2) . .
C17B Zr1B C6B C7B 91.8(5) . .
C17B Zr1B C6B C7B -91.8(5) 4_565 .
C1B Zr1B C6B C7B 180.000(2) . .
C20B Zr1B C6B C7B 38.1(5) . .
C20B Zr1B C6B C7B -38.1(5) 4_565 .
C19B Zr1B C6B C7B 36.6(4) . .
C19B Zr1B C6B C7B -36.6(4) 4_565 .
C21B Zr1B C6B C7B 76.5(6) . .
C21B Zr1B C6B C7B -76.5(6) 4_565 .
C5B C6B C7B C8B 180.00(2) . .
Zr1B C6B C7B C8B 0.00(3) . .
C6B C7B C8B Si4B 180.000(19) . .
C15B Si4B C8B C7B -59.9(2) 4_565 .
C15B Si4B C8B C7B 59.9(2) . .
C16B Si4B C8B C7B 180.00(2) . .
C3B Zr1B C17B C21B 138.5(11) . .
C2B Zr1B C17B C21B 106.3(11) . .
C6B Zr1B C17B C21B -157.7(11) . .
C17B Zr1B C17B C21B 39(5) 4_565 .
C1B Zr1B C17B C21B 75.7(11) . .
C20B Zr1B C17B C21B -36.3(9) . .
C20B Zr1B C17B C21B -28.7(13) 4_565 .
C19B Zr1B C17B C21B -76.7(11) . .
C19B Zr1B C17B C21B -68.1(14) 4_565 .
C21B Zr1B C17B C21B 8.9(12) 4_565 .
C3B Zr1B C17B C18B -111.4(12) . .
C2B Zr1B C17B C18B -143.7(12) . .
C6B Zr1B C17B C18B -47.7(12) . .
C17B Zr1B C17B C18B 149(4) 4_565 .
C1B Zr1B C17B C18B -174.3(12) . .
C20B Zr1B C17B C18B 73.7(12) . .
C20B Zr1B C17B C18B 81.3(13) 4_565 .
C19B Zr1B C17B C18B 33.3(11) . .
C19B Zr1B C17B C18B 42.0(15) 4_565 .
C21B Zr1B C17B C18B 110.0(15) . .
C21B Zr1B C17B C18B 118.9(12) 4_565 .
C21B C17B C18B C19B 6(3) . .
Zr1B C17B C18B C19B -63(2) . .
C21B C17B C18B Zr1B 69.0(13) . .
C3B Zr1B C18B C19B -168.5(12) . .
C2B Zr1B C18B C19B 159.6(11) . .
C6B Zr1B C18B C19B -111.6(14) . .
C17B Zr1B C18B C19B 118.8(19) . .
C17B Zr1B C18B C19B -46(2) 4_565 .
C1B Zr1B C18B C19B 125.3(12) . .
C20B Zr1B C18B C19B 38.3(10) . .
C20B Zr1B C18B C19B 3.8(15) 4_565 .
C19B Zr1B C18B C19B -29.1(13) 4_565 .
C21B Zr1B C18B C19B 79.0(14) . .
C21B Zr1B C18B C19B 17(2) 4_565 .
C3B Zr1B C18B C17B 72.7(12) . .
C2B Zr1B C18B C17B 40.8(13) . .
C6B Zr1B C18B C17B 129.6(13) . .
C17B Zr1B C18B C17B -165(2) 4_565 .
C1B Zr1B C18B C17B 6.5(14) . .
C20B Zr1B C18B C17B -80.5(13) . .
C20B Zr1B C18B C17B -114.9(12) 4_565 .
C19B Zr1B C18B C17B -118.8(19) . .
C19B Zr1B C18B C17B -147.9(12) 4_565 .
C21B Zr1B C18B C17B -39.7(11) . .
C21B Zr1B C18B C17B -102.2(16) 4_565 .
C17B C18B C19B C20B -5(3) . .
Zr1B C18B C19B C20B -66.5(12) . .
C17B C18B C19B Zr1B 61(2) . .
C3B Zr1B C19B C18B 15.5(16) . .
C2B Zr1B C19B C18B -32.1(17) . .
C6B Zr1B C19B C18B 62.9(14) . .
C17B Zr1B C19B C18B -37.1(14) . .
C17B Zr1B C19B C18B 157.4(15) 4_565 .
C1B Zr1B C19B C18B -76.4(15) . .
C20B Zr1B C19B C18B -114.7(17) . .
C20B Zr1B C19B C18B -176.3(15) 4_565 .
C19B Zr1B C19B C18B 149.9(13) 4_565 .
C21B Zr1B C19B C18B -78.5(15) . .
C21B Zr1B C19B C18B -169.0(15) 4_565 .
C3B Zr1B C19B C20B 130.2(9) . .
C2B Zr1B C19B C20B 82.7(12) . .
C6B Zr1B C19B C20B 177.6(10) . .
C17B Zr1B C19B C20B 77.6(11) . .
C17B Zr1B C19B C20B -87.9(13) 4_565 .
C1B Zr1B C19B C20B 38.3(12) . .
C20B Zr1B C19B C20B -61.6(11) 4_565 .
C19B Zr1B C19B C20B -95.4(10) 4_565 .
C21B Zr1B C19B C20B 36.2(10) . .
C21B Zr1B C19B C20B -54.3(11) 4_565 .
C18B C19B C20B C21B 2(2) . .
Zr1B C19B C20B C21B -66.3(12) . .
C18B C19B C20B Zr1B 68.3(19) . .
C3B Zr1B C20B C21B 28.2(15) . .
C2B Zr1B C20B C21B -13.9(13) . .
C6B Zr1B C20B C21B 113.8(11) . .
C17B Zr1B C20B C21B 37.5(11) . .
C17B Zr1B C20B C21B -128.4(13) 4_565 .
C1B Zr1B C20B C21B -35.5(12) . .
C20B Zr1B C20B C21B -135.3(10) 4_565 .
C19B Zr1B C20B C21B 116.6(16) . .
C19B Zr1B C20B C21B -167.3(12) 4_565 .
C21B Zr1B C20B C21B -112.8(14) 4_565 .
C3B Zr1B C20B C19B -88.4(11) . .
C2B Zr1B C20B C19B -130.5(9) . .
C6B Zr1B C20B C19B -2.7(11) . .
C17B Zr1B C20B C19B -79.1(11) . .
C17B Zr1B C20B C19B 115.1(12) 4_565 .
C1B Zr1B C20B C19B -152.0(9) . .
C20B Zr1B C20B C19B 108.1(9) 4_565 .
C19B Zr1B C20B C19B 76.1(11) 4_565 .
C21B Zr1B C20B C19B -116.6(16) . .
C21B Zr1B C20B C19B 130.6(10) 4_565 .
C19B C20B C21B C17B 2(2) . .
Zr1B C20B C21B C17B -63.7(13) . .
C19B C20B C21B Zr1B 65.8(11) . .
C18B C17B C21B C20B -5(2) . .
Zr1B C17B C21B C20B 64.2(13) . .
C18B C17B C21B Zr1B -69.1(19) . .
C3B Zr1B C21B C20B -163.1(9) . .
C2B Zr1B C21B C20B 169.1(10) . .
C6B Zr1B C21B C20B -87.7(12) . .
C17B Zr1B C21B C20B -115.9(15) . .
C17B Zr1B C21B C20B 75.5(14) 4_565 .
C1B Zr1B C21B C20B 145.0(11) . .
C20B Zr1B C21B C20B 39.7(11) 4_565 .
C19B Zr1B C21B C20B -36.6(9) . .
C19B Zr1B C21B C20B 13.3(12) 4_565 .
C21B Zr1B C21B C20B 70.5(12) 4_565 .
C3B Zr1B C21B C17B -47.3(12) . .
C2B Zr1B C21B C17B -75.0(11) . .
C6B Zr1B C21B C17B 28.1(14) . .
C17B Zr1B C21B C17B -168.6(16) 4_565 .
C1B Zr1B C21B C17B -99.2(12) . .
C20B Zr1B C21B C17B 115.9(15) . .
C20B Zr1B C21B C17B 155.5(11) 4_565 .
C19B Zr1B C21B C17B 79.3(11) . .
C19B Zr1B C21B C17B 129.1(12) 4_565 .
C21B Zr1B C21B C17B -173.7(9) 4_565 .
C3B Zr1B C17C C18C 119(2) . .
C2B Zr1B C17C C18C 151(2) . .
C6B Zr1B C17C C18C 54(2) . .
C17B Zr1B C17C C18C 144(4) . .
C17B Zr1B C17C C18C -95(4) 4_565 .
C1B Zr1B C17C C18C -178(2) . .
C20B Zr1B C17C C18C -71(2) . .
C20B Zr1B C17C C18C -71(2) 4_565 .
C19B Zr1B C17C C18C -24(2) . .
C19B Zr1B C17C C18C -35(2) 4_565 .
C21B Zr1B C17C C18C -119(2) . .
C21B Zr1B C17C C18C -101(2) 4_565 .
C3B Zr1B C17C C21C -123.4(14) . .
C2B Zr1B C17C C21C -90.7(14) . .
C6B Zr1B C17C C21C 172.1(15) . .
C17B Zr1B C17C C21C -98(4) . .
C17B Zr1B C17C C21C 23(3) 4_565 .
C1B Zr1B C17C C21C -60.2(14) . .
C20B Zr1B C17C C21C 47.2(17) . .
C20B Zr1B C17C C21C 47.4(14) 4_565 .
C19B Zr1B C17C C21C 94.1(15) . .
C19B Zr1B C17C C21C 83.4(15) 4_565 .
C21B Zr1B C17C C21C -1(2) . .
C21B Zr1B C17C C21C 16.6(13) 4_565 .
C21C C17C C18C C19C 8(5) . .
Zr1B C17C C18C C19C 72(3) . .
C21C C17C C18C Zr1B -63(3) . .
C3B Zr1B C18C C17C -59.8(19) . .
C2B Zr1B C18C C17C -30(2) . .
C6B Zr1B C18C C17C -119.5(19) . .
C17B Zr1B C18C C17C -162.3(18) . .
C17B Zr1B C18C C17C 26.4(14) 4_565 .
C1B Zr1B C18C C17C 2(2) . .
C20B Zr1B C18C C17C 128.6(16) . .
C20B Zr1B C18C C17C 96(2) 4_565 .
C19B Zr1B C18C C17C 162.4(17) . .
C19B Zr1B C18C C17C 129(3) 4_565 .
C21B Zr1B C18C C17C 114.3(18) . .
C21B Zr1B C18C C17C 57.9(18) 4_565 .
C3B Zr1B C18C C19C -169.6(18) . .
C2B Zr1B C18C C19C -139.7(16) . .
C6B Zr1B C18C C19C 131(2) . .
C17B Zr1B C18C C19C 88(3) . .
C17B Zr1B C18C C19C -83(2) 4_565 .
C1B Zr1B C18C C19C -107.8(17) . .
C20B Zr1B C18C C19C 19(2) . .
C20B Zr1B C18C C19C -14.0(16) 4_565 .
C19B Zr1B C18C C19C 53(2) . .
C19B Zr1B C18C C19C 19.2(13) 4_565 .
C21B Zr1B C18C C19C 5(3) . .
C21B Zr1B C18C C19C -51.9(18) 4_565 .
C17C C18C C19C C20C -10(5) . .
Zr1B C18C C19C C20C 64(2) . .
C17C C18C C19C Zr1B -74(3) . .
C3B Zr1B C19C C20C -107.0(14) . .
C2B Zr1B C19C C20C -66.6(16) . .
C6B Zr1B C19C C20C -164.1(14) . .
C17B Zr1B C19C C20C 96.9(17) . .
C17B Zr1B C19C C20C -64.3(15) 4_565 .
C1B Zr1B C19C C20C -30.1(16) . .
C20B Zr1B C19C C20C 76.8(14) . .
C20B Zr1B C19C C20C 36.6(12) 4_565 .
C19B Zr1B C19C C20C 109.9(15) . .
C19B Zr1B C19C C20C 120(4) 4_565 .
C21B Zr1B C19C C20C 63.0(14) . .
C21B Zr1B C19C C20C -14.1(14) 4_565 .
C3B Zr1B C19C C18C 13(2) . .
C2B Zr1B C19C C18C 53(2) . .
C6B Zr1B C19C C18C -44(2) . .
C17B Zr1B C19C C18C -144(2) . .
C17B Zr1B C19C C18C 55(2) 4_565 .
C1B Zr1B C19C C18C 89(2) . .
C20B Zr1B C19C C18C -164(2) . .
C20B Zr1B C19C C18C 156(3) 4_565 .
C19B Zr1B C19C C18C -130(2) . .
C19B Zr1B C19C C18C -120(4) 4_565 .
C21B Zr1B C19C C18C -177.4(19) . .
C21B Zr1B C19C C18C 105(2) 4_565 .
C18C C19C C20C C21C 7(3) . .
Zr1B C19C C20C C21C 70.2(15) . .
C18C C19C C20C Zr1B -63(3) . .
C3B Zr1B C20C C19C 94.9(15) . .
C2B Zr1B C20C C19C 129.2(13) . .
C6B Zr1B C20C C19C 18.0(16) . .
C17B Zr1B C20C C19C -117.7(15) . .
C17B Zr1B C20C C19C 79.4(17) 4_565 .
C1B Zr1B C20C C19C 154.5(14) . .
C20B Zr1B C20C C19C -101.1(14) . .
C20B Zr1B C20C C19C -82(3) 4_565 .
C19B Zr1B C20C C19C -71.0(15) . .
C19B Zr1B C20C C19C -20.1(14) 4_565 .
C21B Zr1B C20C C19C -126.9(13) . .
C21B Zr1B C20C C19C 145(4) 4_565 .
C3B Zr1B C20C C21C -15.6(16) . .
C2B Zr1B C20C C21C 18.7(14) . .
C6B Zr1B C20C C21C -92.5(14) . .
C17B Zr1B C20C C21C 131.8(14) . .
C17B Zr1B C20C C21C -31.2(12) 4_565 .
C1B Zr1B C20C C21C 43.9(13) . .
C20B Zr1B C20C C21C 148.4(14) . .
C20B Zr1B C20C C21C 168(3) 4_565 .
C19B Zr1B C20C C21C 178.4(13) . .
C19B Zr1B C20C C21C -130.7(18) 4_565 .
C21B Zr1B C20C C21C 122.6(11) . .
C21B Zr1B C20C C21C 35(2) 4_565 .
C18C C17C C21C C20C -5(4) . .
Zr1B C17C C21C C20C -67.2(16) . .
C18C C17C C21C Zr1B 63(3) . .
C19C C20C C21C C17C -1(3) . .
Zr1B C20C C21C C17C 69.8(19) . .
C19C C20C C21C Zr1B -71.2(15) . .
C3B Zr1B C21C C17C 55.6(14) . .
C2B Zr1B C21C C17C 85.1(14) . .
C6B Zr1B C21C C17C -8.6(16) . .
C17B Zr1B C21C C17C 158.8(12) . .
C17B Zr1B C21C C17C -18(2) 4_565 .
C1B Zr1B C21C C17C 114.5(15) . .
C20B Zr1B C21C C17C -145.6(13) . .
C20B Zr1B C21C C17C -117.2(17) 4_565 .
C19B Zr1B C21C C17C -114.0(14) . .
C19B Zr1B C21C C17C -80.2(15) 4_565 .
C21B Zr1B C21C C17C 179.4(13) . .
C21B Zr1B C21C C17C -142(3) 4_565 .
C3B Zr1B C21C C20C 167.6(13) . .
C2B Zr1B C21C C20C -162.8(14) . .
C6B Zr1B C21C C20C 103.4(13) . .
C17B Zr1B C21C C20C -89.2(16) . .
C17B Zr1B C21C C20C 94(3) 4_565 .
C1B Zr1B C21C C20C -133.4(14) . .
C20B Zr1B C21C C20C -33.6(15) . .
C20B Zr1B C21C C20C -5.1(13) 4_565 .
C19B Zr1B C21C C20C -2.0(16) . .
C19B Zr1B C21C C20C 31.8(13) 4_565 .
C21B Zr1B C21C C20C -68.5(12) . .
C21B Zr1B C21C C20C -30(2) 4_565 .
