#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:45:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178722 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/33/4083392.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_4083392
loop_
_publ_author_name
'Yuan, Shifang'
'Wei, Xuehong'
'Tong, Hongbo'
'Zhang, Liping'
'Liu, Diansheng'
'Sun, Wen-Hua'
_publ_section_title
;
 μ2,η1-N-[(N,N-Dimethylamino)dimethylsilyl]-2,6-diisopropylanilido Metal
 (Li, Zr, Hf) Compounds and the Catalytic Behaviors of the IVB Compounds
 in Ethylene (Co)Polymerizationξ
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2085
_journal_paper_doi               10.1021/om100044b
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C32 H58 Cl2 N4 Si2 Zr'
_chemical_formula_sum            'C32 H58 Cl2 N4 Si2 Zr'
_chemical_formula_weight         717.12
_chemical_name_systematic
; 
 bis[N-((dimethylamino)dimethylsilyl)-2,6-
diisopropylbenzenamino] dichlorozirconium 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.755(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   25.518(5)
_cell_length_b                   25.479(5)
_cell_length_c                   23.772(5)
_cell_measurement_reflns_used    5389
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.777
_cell_measurement_theta_min      2.312
_cell_volume                     15013(5)
_computing_cell_refinement       'Rapid Auto(Rigaku 2001)'
_computing_data_collection       'Rapid Auto(Rigaku 2001)'
_computing_data_reduction        'Rapid Auto(Rigaku 2001)'
_computing_molecular_graphics    'XP in Siemens SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku raxis Rapid IP Area Detector'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_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  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0854
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            29713
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.32
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.9022
_exptl_absorpt_correction_T_min  0.8583
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6080
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     772
_refine_ls_number_reflns         12934
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.883
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0711
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1257P)²+54.5204P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1766
_refine_ls_wR_factor_ref         0.2084
_reflns_number_gt                8550
_reflns_number_total             12934
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100044b_si_002.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4083392
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zr1 Zr 0.71969(2) 0.057097(19) 0.24527(2) 0.03370(18) Uani 1 1 d .
Cl1 Cl 0.65736(8) -0.01196(7) 0.25214(7) 0.0610(5) Uani 1 1 d .
Cl2 Cl 0.65750(8) 0.12915(6) 0.23469(7) 0.0632(5) Uani 1 1 d .
N1 N 0.74696(17) 0.08348(16) 0.33341(17) 0.0292(10) Uani 1 1 d .
N2 N 0.7943(2) 0.0016(2) 0.3028(2) 0.0588(15) Uani 1 1 d .
N3 N 0.70677(17) 0.03128(16) 0.15691(18) 0.0321(10) Uani 1 1 d .
N4 N 0.7740(3) 0.1075(2) 0.1915(2) 0.0627(17) Uani 1 1 d .
Si1 Si 0.80118(7) 0.04423(7) 0.36315(7) 0.0445(4) Uani 1 1 d .
Si2 Si 0.74492(8) 0.07349(7) 0.12658(7) 0.0495(5) Uani 1 1 d .
C1 C 0.7273(2) 0.1179(2) 0.3712(2) 0.0329(12) Uani 1 1 d .
C2 C 0.7507(2) 0.1675(2) 0.3858(2) 0.0365(13) Uani 1 1 d .
C3 C 0.7326(3) 0.1987(2) 0.4249(3) 0.0498(16) Uani 1 1 d .
H3 H 0.7487 0.2317 0.4345 0.060 Uiso 1 1 calc R
C4 C 0.6924(3) 0.1833(3) 0.4500(3) 0.0569(18) Uani 1 1 d .
H4 H 0.6812 0.2051 0.4769 0.068 Uiso 1 1 calc R
C5 C 0.6683(3) 0.1353(3) 0.4353(3) 0.0510(16) Uani 1 1 d .
H5 H 0.6400 0.1248 0.4518 0.061 Uiso 1 1 calc R
C6 C 0.6848(2) 0.1019(2) 0.3966(2) 0.0383(13) Uani 1 1 d .
C7 C 0.6561(3) 0.0499(2) 0.3835(3) 0.0510(17) Uani 1 1 d .
H7 H 0.6756 0.0289 0.3599 0.061 Uiso 1 1 calc R
C8 C 0.5977(3) 0.0599(3) 0.3462(4) 0.084(3) Uani 1 1 d .
H8A H 0.5782 0.0819 0.3676 0.126 Uiso 1 1 calc R
H8B H 0.5790 0.0266 0.3374 0.126 Uiso 1 1 calc R
H8C H 0.5995 0.0772 0.3104 0.126 Uiso 1 1 calc R
C9 C 0.6552(4) 0.0187(3) 0.4371(4) 0.080(3) Uani 1 1 d .
H9A H 0.6917 0.0151 0.4607 0.120 Uiso 1 1 calc R
H9B H 0.6402 -0.0158 0.4260 0.120 Uiso 1 1 calc R
H9C H 0.6331 0.0367 0.4591 0.120 Uiso 1 1 calc R
C10 C 0.7931(3) 0.1893(2) 0.3578(3) 0.0473(15) Uani 1 1 d .
H10 H 0.8046 0.1612 0.3346 0.057 Uiso 1 1 calc R
C11 C 0.8428(3) 0.2092(3) 0.4019(3) 0.075(2) Uani 1 1 d .
H11A H 0.8325 0.2378 0.4240 0.113 Uiso 1 1 calc R
H11B H 0.8693 0.2216 0.3818 0.113 Uiso 1 1 calc R
H11C H 0.8581 0.1809 0.4279 0.113 Uiso 1 1 calc R
C12 C 0.7681(3) 0.2345(3) 0.3167(3) 0.067(2) Uani 1 1 d .
H12A H 0.7381 0.2211 0.2871 0.100 Uiso 1 1 calc R
H12B H 0.7952 0.2490 0.2986 0.100 Uiso 1 1 calc R
H12C H 0.7553 0.2617 0.3387 0.100 Uiso 1 1 calc R
C13 C 0.7982(4) 0.0140(4) 0.4326(4) 0.102(3) Uani 1 1 d .
H13A H 0.7806 0.0379 0.4540 0.153 Uiso 1 1 calc R
H13B H 0.8346 0.0069 0.4549 0.153 Uiso 1 1 calc R
H13C H 0.7780 -0.0185 0.4254 0.153 Uiso 1 1 calc R
C14 C 0.8694(3) 0.0744(4) 0.3771(5) 0.096(3) Uani 1 1 d .
H14A H 0.8720 0.0963 0.3445 0.144 Uiso 1 1 calc R
H14B H 0.8965 0.0470 0.3823 0.144 Uiso 1 1 calc R
H14C H 0.8754 0.0957 0.4119 0.144 Uiso 1 1 calc R
C15 C 0.7704(4) -0.0509(3) 0.3188(5) 0.106(4) Uani 1 1 d .
H15A H 0.7654 -0.0749 0.2862 0.159 Uiso 1 1 calc R
H15B H 0.7360 -0.0442 0.3279 0.159 Uiso 1 1 calc R
H15C H 0.7951 -0.0663 0.3521 0.159 Uiso 1 1 calc R
C16 C 0.8420(4) -0.0152(4) 0.2846(4) 0.104(3) Uani 1 1 d .
H16A H 0.8612 -0.0414 0.3114 0.156 Uiso 1 1 calc R
H16B H 0.8654 0.0147 0.2841 0.156 Uiso 1 1 calc R
H16C H 0.8314 -0.0303 0.2460 0.156 Uiso 1 1 calc R
C17 C 0.6707(2) -0.0051(2) 0.1218(2) 0.0349(13) Uani 1 1 d .
C18 C 0.6881(3) -0.0554(2) 0.1111(2) 0.0422(15) Uani 1 1 d .
C19 C 0.6523(3) -0.0902(2) 0.0770(3) 0.0543(18) Uani 1 1 d .
H19 H 0.6644 -0.1238 0.0697 0.065 Uiso 1 1 calc R
C20 C 0.5994(3) -0.0765(3) 0.0535(3) 0.066(2) Uani 1 1 d .
H20 H 0.5754 -0.1004 0.0306 0.079 Uiso 1 1 calc R
C21 C 0.5826(3) -0.0280(3) 0.0641(3) 0.0605(19) Uani 1 1 d .
H21 H 0.5464 -0.0188 0.0480 0.073 Uiso 1 1 calc R
C22 C 0.6160(2) 0.0087(2) 0.0975(2) 0.0409(14) Uani 1 1 d .
C23 C 0.5923(3) 0.0612(3) 0.1072(3) 0.0614(19) Uani 1 1 d .
H23 H 0.6219 0.0835 0.1292 0.074 Uiso 1 1 calc R
C24 C 0.5677(4) 0.0888(4) 0.0481(4) 0.101(3) Uani 1 1 d .
H24A H 0.5943 0.0898 0.0250 0.151 Uiso 1 1 calc R
H24B H 0.5571 0.1243 0.0551 0.151 Uiso 1 1 calc R
H24C H 0.5362 0.0694 0.0274 0.151 Uiso 1 1 calc R
C25 C 0.5505(3) 0.0551(4) 0.1434(4) 0.091(3) Uani 1 1 d .
H25A H 0.5240 0.0289 0.1258 0.137 Uiso 1 1 calc R
H25B H 0.5325 0.0885 0.1451 0.137 Uiso 1 1 calc R
H25C H 0.5683 0.0441 0.1823 0.137 Uiso 1 1 calc R
C26 C 0.7442(3) -0.0744(3) 0.1361(3) 0.061(2) Uani 1 1 d .
H26 H 0.7644 -0.0451 0.1587 0.074 Uiso 1 1 calc R
C27 C 0.7439(5) -0.1192(3) 0.1777(4) 0.111(4) Uani 1 1 d .
H27A H 0.7213 -0.1100 0.2037 0.166 Uiso 1 1 calc R
H27B H 0.7804 -0.1257 0.1999 0.166 Uiso 1 1 calc R
H27C H 0.7298 -0.1505 0.1561 0.166 Uiso 1 1 calc R
C28 C 0.7736(4) -0.0890(4) 0.0890(4) 0.097(3) Uani 1 1 d .
H28A H 0.7622 -0.1236 0.0739 0.146 Uiso 1 1 calc R
H28B H 0.8123 -0.0891 0.1054 0.146 Uiso 1 1 calc R
H28C H 0.7650 -0.0635 0.0579 0.146 Uiso 1 1 calc R
C29 C 0.7983(6) 0.0474(4) 0.0959(8) 0.191(9) Uani 1 1 d .
H29A H 0.8144 0.0171 0.1181 0.286 Uiso 1 1 calc R
H29B H 0.8257 0.0741 0.0972 0.286 Uiso 1 1 calc R
H29C H 0.7834 0.0371 0.0560 0.286 Uiso 1 1 calc R
C30 C 0.7070(5) 0.1199(7) 0.0738(6) 0.195(9) Uani 1 1 d .
H30A H 0.6909 0.1015 0.0381 0.292 Uiso 1 1 calc R
H30B H 0.7311 0.1469 0.0661 0.292 Uiso 1 1 calc R
H30C H 0.6788 0.1359 0.0891 0.292 Uiso 1 1 calc R
C31 C 0.7626(9) 0.1624(4) 0.1871(6) 0.236(12) Uani 1 1 d .
H31A H 0.7672 0.1771 0.2256 0.354 Uiso 1 1 calc R
H31B H 0.7257 0.1678 0.1653 0.354 Uiso 1 1 calc R
H31C H 0.7871 0.1795 0.1674 0.354 Uiso 1 1 calc R
C32 C 0.8322(5) 0.1038(8) 0.2088(5) 0.199(10) Uani 1 1 d .
H32A H 0.8473 0.1134 0.1764 0.299 Uiso 1 1 calc R
H32B H 0.8425 0.0680 0.2205 0.299 Uiso 1 1 calc R
H32C H 0.8458 0.1273 0.2410 0.299 Uiso 1 1 calc R
Zr2 Zr 1.0000 0.83395(3) 0.2500 0.0351(2) Uani 1 2 d S
Cl3 Cl 0.92703(8) 0.89516(8) 0.23979(8) 0.0689(6) Uani 1 1 d .
N5 N 1.00573(18) 0.82786(17) 0.16115(18) 0.0338(10) Uani 1 1 d .
N6 N 0.9360(3) 0.7698(3) 0.1937(2) 0.0686(18) Uani 1 1 d .
Si3 Si 0.95816(8) 0.78321(7) 0.13067(7) 0.0482(5) Uani 1 1 d .
C33 C 1.0342(2) 0.8573(2) 0.1263(2) 0.0342(13) Uani 1 1 d .
C34 C 1.0149(3) 0.9060(2) 0.1019(2) 0.0437(15) Uani 1 1 d .
C35 C 1.0433(3) 0.9338(3) 0.0684(3) 0.0543(18) Uani 1 1 d .
H35 H 1.0304 0.9666 0.0530 0.065 Uiso 1 1 calc R
C36 C 1.0898(3) 0.9138(3) 0.0577(3) 0.059(2) Uani 1 1 d .
H36 H 1.1080 0.9322 0.0338 0.070 Uiso 1 1 calc R
C37 C 1.1092(3) 0.8675(3) 0.0816(3) 0.0560(18) Uani 1 1 d .
H37 H 1.1417 0.8547 0.0748 0.067 Uiso 1 1 calc R
C38 C 1.0825(2) 0.8378(2) 0.1161(2) 0.0412(14) Uani 1 1 d .
C39 C 1.1083(3) 0.7874(3) 0.1418(3) 0.0590(19) Uani 1 1 d .
H39 H 1.0845 0.7718 0.1647 0.071 Uiso 1 1 calc R
C40 C 1.1136(4) 0.7469(4) 0.0950(4) 0.099(3) Uani 1 1 d .
H40A H 1.0793 0.7436 0.0670 0.149 Uiso 1 1 calc R
H40B H 1.1240 0.7132 0.1131 0.149 Uiso 1 1 calc R
H40C H 1.1410 0.7587 0.0756 0.149 Uiso 1 1 calc R
C41 C 1.1619(3) 0.7986(5) 0.1829(4) 0.105(4) Uani 1 1 d .
H41A H 1.1838 0.8198 0.1635 0.158 Uiso 1 1 calc R
H41B H 1.1803 0.7657 0.1952 0.158 Uiso 1 1 calc R
H41C H 1.1561 0.8173 0.2164 0.158 Uiso 1 1 calc R
C42 C 0.9647(3) 0.9328(3) 0.1119(3) 0.0602(19) Uani 1 1 d .
H42 H 0.9467 0.9079 0.1330 0.072 Uiso 1 1 calc R
C43 C 0.9247(4) 0.9462(4) 0.0547(4) 0.105(4) Uani 1 1 d .
H43A H 0.8913 0.9587 0.0626 0.157 Uiso 1 1 calc R
H43B H 0.9176 0.9150 0.0307 0.157 Uiso 1 1 calc R
H43C H 0.9399 0.9732 0.0346 0.157 Uiso 1 1 calc R
C44 C 0.9777(4) 0.9814(3) 0.1485(4) 0.092(3) Uani 1 1 d .
H44A H 1.0029 0.9726 0.1847 0.139 Uiso 1 1 calc R
H44B H 0.9448 0.9954 0.1564 0.139 Uiso 1 1 calc R
H44C H 0.9937 1.0075 0.1280 0.139 Uiso 1 1 calc R
C45 C 0.9046(5) 0.8079(6) 0.0716(6) 0.191(8) Uani 1 1 d .
H45A H 0.8741 0.8186 0.0867 0.286 Uiso 1 1 calc R
H45B H 0.8933 0.7804 0.0430 0.286 Uiso 1 1 calc R
H45C H 0.9178 0.8377 0.0536 0.286 Uiso 1 1 calc R
C46 C 0.9828(6) 0.7203(5) 0.1067(7) 0.184(8) Uani 1 1 d .
H46A H 0.9897 0.7248 0.0686 0.277 Uiso 1 1 calc R
H46B H 0.9556 0.6933 0.1049 0.277 Uiso 1 1 calc R
H46C H 1.0158 0.7099 0.1340 0.277 Uiso 1 1 calc R
C47 C 0.8784(4) 0.7874(8) 0.1846(6) 0.225(11) Uani 1 1 d .
H47A H 0.8547 0.7572 0.1767 0.337 Uiso 1 1 calc R
H47B H 0.8697 0.8115 0.1521 0.337 Uiso 1 1 calc R
H47C H 0.8736 0.8050 0.2193 0.337 Uiso 1 1 calc R
C48 C 0.9296(9) 0.7173(5) 0.2076(5) 0.223(11) Uani 1 1 d .
H48A H 0.9314 0.7144 0.2487 0.335 Uiso 1 1 calc R
H48B H 0.9580 0.6965 0.1981 0.335 Uiso 1 1 calc R
H48C H 0.8948 0.7048 0.1858 0.335 Uiso 1 1 calc R
Zr3 Zr 0.0000 0.27181(3) 0.2500 0.0300(2) Uani 1 2 d S
Cl4 Cl -0.06828(6) 0.20847(6) 0.25639(7) 0.0514(4) Uani 1 1 d .
N7 N 0.04602(16) 0.28330(16) 0.33767(17) 0.0288(10) Uani 1 1 d .
N8 N -0.0422(2) 0.33673(19) 0.3038(2) 0.0495(13) Uani 1 1 d .
Si4 Si 0.01353(7) 0.33198(7) 0.36550(7) 0.0437(4) Uani 1 1 d .
C49 C 0.0884(2) 0.2554(2) 0.3765(2) 0.0311(12) Uani 1 1 d .
C50 C 0.0786(2) 0.2079(2) 0.4026(2) 0.0362(13) Uani 1 1 d .
C51 C 0.1202(3) 0.1830(3) 0.4410(3) 0.0470(15) Uani 1 1 d .
H51 H 0.1131 0.1514 0.4582 0.056 Uiso 1 1 calc R
C52 C 0.1711(3) 0.2029(3) 0.4548(3) 0.0559(18) Uani 1 1 d .
H52 H 0.1987 0.1854 0.4815 0.067 Uiso 1 1 calc R
C53 C 0.1819(2) 0.2488(3) 0.4292(3) 0.0512(17) Uani 1 1 d .
H53 H 0.2171 0.2626 0.4388 0.061 Uiso 1 1 calc R
C54 C 0.1417(2) 0.2753(2) 0.3891(2) 0.0361(13) Uani 1 1 d .
C55 C 0.1575(2) 0.3230(2) 0.3599(3) 0.0481(15) Uani 1 1 d .
H55 H 0.1242 0.3388 0.3360 0.058 Uiso 1 1 calc R
C56 C 0.1857(3) 0.3647(3) 0.4030(4) 0.080(2) Uani 1 1 d .
H56A H 0.1646 0.3713 0.4312 0.121 Uiso 1 1 calc R
H56B H 0.1891 0.3969 0.3824 0.121 Uiso 1 1 calc R
H56C H 0.2213 0.3523 0.4227 0.121 Uiso 1 1 calc R
C57 C 0.1932(3) 0.3068(4) 0.3193(3) 0.074(2) Uani 1 1 d .
H57A H 0.2253 0.2893 0.3414 0.111 Uiso 1 1 calc R
H57B H 0.2036 0.3378 0.3009 0.111 Uiso 1 1 calc R
H57C H 0.1733 0.2832 0.2899 0.111 Uiso 1 1 calc R
C58 C 0.0232(2) 0.1821(2) 0.3905(3) 0.0465(15) Uani 1 1 d .
H58 H -0.0029 0.2060 0.3655 0.056 Uiso 1 1 calc R
C59 C 0.0241(3) 0.1310(3) 0.3575(3) 0.071(2) Uani 1 1 d .
H59A H 0.0372 0.1377 0.3231 0.107 Uiso 1 1 calc R
H59B H -0.0121 0.1166 0.3464 0.107 Uiso 1 1 calc R
H59C H 0.0478 0.1060 0.3821 0.107 Uiso 1 1 calc R
C60 C 0.0043(3) 0.1732(4) 0.4460(3) 0.075(2) Uani 1 1 d .
H60A H -0.0329 0.1612 0.4362 0.113 Uiso 1 1 calc R
H60B H 0.0068 0.2058 0.4674 0.113 Uiso 1 1 calc R
H60C H 0.0269 0.1469 0.4695 0.113 Uiso 1 1 calc R
C61 C -0.0047(4) 0.3138(4) 0.4331(3) 0.087(3) Uani 1 1 d .
H61A H -0.0375 0.2930 0.4242 0.130 Uiso 1 1 calc R
H61B H -0.0107 0.3453 0.4536 0.130 Uiso 1 1 calc R
H61C H 0.0243 0.2935 0.4571 0.130 Uiso 1 1 calc R
C62 C 0.0461(3) 0.3975(3) 0.3781(4) 0.079(2) Uani 1 1 d .
H62A H 0.0779 0.3953 0.4099 0.118 Uiso 1 1 calc R
H62B H 0.0210 0.4225 0.3877 0.118 Uiso 1 1 calc R
H62C H 0.0565 0.4089 0.3433 0.118 Uiso 1 1 calc R
C63 C -0.0920(3) 0.3121(4) 0.3196(4) 0.099(3) Uani 1 1 d .
H63A H -0.1053 0.3356 0.3451 0.148 Uiso 1 1 calc R
H63B H -0.0820 0.2788 0.3390 0.148 Uiso 1 1 calc R
H63C H -0.1199 0.3064 0.2846 0.148 Uiso 1 1 calc R
C64 C -0.0597(4) 0.3888(3) 0.2812(4) 0.098(3) Uani 1 1 d .
H64A H -0.0859 0.3854 0.2443 0.147 Uiso 1 1 calc R
H64B H -0.0288 0.4086 0.2757 0.147 Uiso 1 1 calc R
H64C H -0.0761 0.4072 0.3084 0.147 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N3 Zr1 N1 170.19(17) . .
N3 Zr1 Cl2 100.82(12) . .
N1 Zr1 Cl2 85.17(12) . .
N3 Zr1 Cl1 83.82(12) . .
N1 Zr1 Cl1 103.21(12) . .
Cl2 Zr1 Cl1 97.78(7) . .
N3 Zr1 N4 68.05(17) . .
N1 Zr1 N4 104.56(16) . .
Cl2 Zr1 N4 89.22(17) . .
Cl1 Zr1 N4 151.83(12) . .
N3 Zr1 N2 106.31(17) . .
N1 Zr1 N2 67.47(16) . .
Cl2 Zr1 N2 152.63(13) . .
Cl1 Zr1 N2 88.77(15) . .
N4 Zr1 N2 97.5(2) . .
N3 Zr1 Si2 32.89(12) . .
N1 Zr1 Si2 139.70(12) . .
Cl2 Zr1 Si2 94.45(6) . .
Cl1 Zr1 Si2 116.69(5) . .
N4 Zr1 Si2 35.24(12) . .
N2 Zr1 Si2 106.31(14) . .
N3 Zr1 Si1 140.23(12) . .
N1 Zr1 Si1 32.51(12) . .
Cl2 Zr1 Si1 117.55(5) . .
Cl1 Zr1 Si1 100.05(6) . .
N4 Zr1 Si1 100.74(15) . .
N2 Zr1 Si1 35.14(12) . .
Si2 Zr1 Si1 127.33(6) . .
C1 N1 Si1 117.9(3) . .
C1 N1 Zr1 136.3(3) . .
Si1 N1 Zr1 105.1(2) . .
C16 N2 C15 103.0(7) . .
C16 N2 Si1 119.6(5) . .
C15 N2 Si1 107.4(5) . .
C16 N2 Zr1 126.0(6) . .
C15 N2 Zr1 109.2(5) . .
Si1 N2 Zr1 90.7(2) . .
C17 N3 Si2 120.7(3) . .
C17 N3 Zr1 134.2(3) . .
Si2 N3 Zr1 104.3(2) . .
C31 N4 C32 105.3(11) . .
C31 N4 Si2 112.4(8) . .
C32 N4 Si2 113.9(8) . .
C31 N4 Zr1 114.8(7) . .
C32 N4 Zr1 119.0(6) . .
Si2 N4 Zr1 91.5(2) . .
N1 Si1 N2 96.2(2) . .
N1 Si1 C13 114.3(3) . .
N2 Si1 C13 116.9(4) . .
N1 Si1 C14 117.5(3) . .
N2 Si1 C14 107.8(4) . .
C13 Si1 C14 104.4(5) . .
N1 Si1 Zr1 42.35(14) . .
N2 Si1 Zr1 54.20(18) . .
C13 Si1 Zr1 134.2(4) . .
C14 Si1 Zr1 121.2(3) . .
N3 Si2 N4 95.9(2) . .
N3 Si2 C29 119.5(4) . .
N4 Si2 C29 109.3(6) . .
N3 Si2 C30 115.6(4) . .
N4 Si2 C30 109.0(6) . .
C29 Si2 C30 106.6(8) . .
N3 Si2 Zr1 42.76(14) . .
N4 Si2 Zr1 53.27(18) . .
C29 Si2 Zr1 131.4(6) . .
C30 Si2 Zr1 121.8(6) . .
C2 C1 C6 118.3(5) . .
C2 C1 N1 121.1(5) . .
C6 C1 N1 120.6(5) . .
C3 C2 C1 119.5(6) . .
C3 C2 C10 118.4(5) . .
C1 C2 C10 122.0(5) . .
C2 C3 C4 122.5(6) . .
C2 C3 H3 118.7 . .
C4 C3 H3 118.7 . .
C5 C4 C3 118.7(6) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
C4 C5 C6 121.6(6) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C5 C6 C1 119.3(5) . .
C5 C6 C7 117.6(5) . .
C1 C6 C7 123.1(5) . .
C6 C7 C9 113.1(6) . .
C6 C7 C8 108.9(6) . .
C9 C7 C8 111.2(6) . .
C6 C7 H7 107.8 . .
C9 C7 H7 107.8 . .
C8 C7 H7 107.8 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C2 C10 C11 112.7(5) . .
C2 C10 C12 108.7(5) . .
C11 C10 C12 109.7(6) . .
C2 C10 H10 108.5 . .
C11 C10 H10 108.5 . .
C12 C10 H10 108.5 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si1 C13 H13A 109.5 . .
Si1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
Si1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N2 C15 H15A 109.5 . .
N2 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N2 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N2 C16 H16A 109.5 . .
N2 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N2 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 C22 118.4(5) . .
C18 C17 N3 120.8(5) . .
C22 C17 N3 120.7(5) . .
C19 C18 C17 119.8(6) . .
C19 C18 C26 117.5(6) . .
C17 C18 C26 122.7(5) . .
C18 C19 C20 121.4(6) . .
C18 C19 H19 119.3 . .
C20 C19 H19 119.3 . .
C21 C20 C19 118.7(6) . .
C21 C20 H20 120.6 . .
C19 C20 H20 120.6 . .
C22 C21 C20 123.1(7) . .
C22 C21 H21 118.5 . .
C20 C21 H21 118.5 . .
C21 C22 C17 118.5(6) . .
C21 C22 C23 118.2(6) . .
C17 C22 C23 123.2(5) . .
C22 C23 C25 110.8(6) . .
C22 C23 C24 110.6(6) . .
C25 C23 C24 111.5(7) . .
C22 C23 H23 107.9 . .
C25 C23 H23 107.9 . .
C24 C23 H23 107.9 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C18 C26 C27 110.6(7) . .
C18 C26 C28 112.2(6) . .
C27 C26 C28 112.0(7) . .
C18 C26 H26 107.3 . .
C27 C26 H26 107.3 . .
C28 C26 H26 107.3 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si2 C29 H29A 109.5 . .
Si2 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si2 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si2 C30 H30A 109.5 . .
Si2 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
Si2 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N4 C31 H31A 109.5 . .
N4 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N4 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N4 C32 H32A 109.5 . .
N4 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
N4 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N5 Zr2 N5 171.8(2) . 2_755
N5 Zr2 Cl3 85.07(13) . 2_755
N5 Zr2 Cl3 100.34(13) 2_755 2_755
N5 Zr2 Cl3 100.34(12) . .
N5 Zr2 Cl3 85.07(13) 2_755 .
Cl3 Zr2 Cl3 98.80(11) 2_755 .
N5 Zr2 N6 67.14(17) . .
N5 Zr2 N6 107.05(18) 2_755 .
Cl3 Zr2 N6 152.13(13) 2_755 .
Cl3 Zr2 N6 88.73(18) . .
N5 Zr2 N6 107.05(18) . 2_755
N5 Zr2 N6 67.14(17) 2_755 2_755
Cl3 Zr2 N6 88.73(18) 2_755 2_755
Cl3 Zr2 N6 152.13(13) . 2_755
N6 Zr2 N6 97.1(3) . 2_755
N5 Zr2 Si3 32.25(12) . .
N5 Zr2 Si3 141.73(12) 2_755 .
Cl3 Zr2 Si3 117.32(5) 2_755 .
Cl3 Zr2 Si3 95.13(6) . .
N6 Zr2 Si3 34.90(13) . .
N6 Zr2 Si3 105.21(15) 2_755 .
N5 Zr2 Si3 141.73(12) . 2_755
N5 Zr2 Si3 32.25(12) 2_755 2_755
Cl3 Zr2 Si3 95.13(6) 2_755 2_755
Cl3 Zr2 Si3 117.32(5) . 2_755
N6 Zr2 Si3 105.21(15) . 2_755
N6 Zr2 Si3 34.90(13) 2_755 2_755
Si3 Zr2 Si3 130.18(8) . 2_755
C33 N5 Si3 120.9(3) . .
C33 N5 Zr2 133.5(3) . .
Si3 N5 Zr2 105.0(2) . .
C48 N6 C47 98.9(11) . .
C48 N6 Si3 117.9(8) . .
C47 N6 Si3 108.8(8) . .
C48 N6 Zr2 127.2(8) . .
C47 N6 Zr2 112.3(6) . .
Si3 N6 Zr2 91.6(2) . .
N5 Si3 N6 96.3(2) . .
N5 Si3 C45 115.3(4) . .
N6 Si3 C45 112.9(6) . .
N5 Si3 C46 116.7(4) . .
N6 Si3 C46 107.1(6) . .
C45 Si3 C46 107.8(8) . .
N5 Si3 Zr2 42.77(15) . .
N6 Si3 Zr2 53.50(19) . .
C45 Si3 Zr2 126.8(6) . .
C46 Si3 Zr2 125.3(6) . .
C38 C33 C34 118.6(5) . .
C38 C33 N5 120.0(5) . .
C34 C33 N5 121.5(5) . .
C35 C34 C33 120.4(6) . .
C35 C34 C42 115.6(6) . .
C33 C34 C42 124.0(5) . .
C34 C35 C36 120.6(7) . .
C34 C35 H35 119.7 . .
C36 C35 H35 119.7 . .
C37 C36 C35 119.6(6) . .
C37 C36 H36 120.2 . .
C35 C36 H36 120.2 . .
C36 C37 C38 122.4(7) . .
C36 C37 H37 118.8 . .
C38 C37 H37 118.8 . .
C33 C38 C37 118.5(6) . .
C33 C38 C39 123.3(5) . .
C37 C38 C39 118.2(6) . .
C38 C39 C40 112.4(6) . .
C38 C39 C41 110.1(7) . .
C40 C39 C41 111.7(7) . .
C38 C39 H39 107.4 . .
C40 C39 H39 107.4 . .
C41 C39 H39 107.4 . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C39 C41 H41A 109.5 . .
C39 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C39 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C44 C42 C34 112.5(7) . .
C44 C42 C43 109.9(7) . .
C34 C42 C43 111.8(6) . .
C44 C42 H42 107.5 . .
C34 C42 H42 107.5 . .
C43 C42 H42 107.5 . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C42 C44 H44A 109.5 . .
C42 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C42 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
Si3 C45 H45A 109.5 . .
Si3 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
Si3 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
Si3 C46 H46A 109.5 . .
Si3 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
Si3 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
N6 C47 H47A 109.5 . .
N6 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
N6 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
N6 C48 H48A 109.5 . .
N6 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
N6 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N7 Zr3 N7 164.4(2) . 2
N7 Zr3 Cl4 105.44(11) . .
N7 Zr3 Cl4 85.17(12) 2 .
N7 Zr3 Cl4 85.17(12) . 2
N7 Zr3 Cl4 105.44(11) 2 2
Cl4 Zr3 Cl4 95.75(9) . 2
N7 Zr3 N8 101.76(16) . 2
N7 Zr3 N8 67.39(16) 2 2
Cl4 Zr3 N8 152.52(12) . 2
Cl4 Zr3 N8 90.26(14) 2 2
N7 Zr3 N8 67.39(16) . .
N7 Zr3 N8 101.76(16) 2 .
Cl4 Zr3 N8 90.26(14) . .
Cl4 Zr3 N8 152.52(12) 2 .
N8 Zr3 N8 96.7(3) 2 .
N7 Zr3 Si4 32.19(12) . .
N7 Zr3 Si4 135.37(11) 2 .
Cl4 Zr3 Si4 101.90(5) . .
Cl4 Zr3 Si4 117.33(5) 2 .
N8 Zr3 Si4 99.00(12) 2 .
N8 Zr3 Si4 35.34(12) . .
N7 Zr3 Si4 135.37(11) . 2
N7 Zr3 Si4 32.19(12) 2 2
Cl4 Zr3 Si4 117.33(5) . 2
Cl4 Zr3 Si4 101.90(5) 2 2
N8 Zr3 Si4 35.34(12) 2 2
N8 Zr3 Si4 99.00(12) . 2
Si4 Zr3 Si4 120.55(7) . 2
C49 N7 Si4 118.2(3) . .
C49 N7 Zr3 135.2(3) . .
Si4 N7 Zr3 105.6(2) . .
C64 N8 C63 105.2(7) . .
C64 N8 Si4 118.5(5) . .
C63 N8 Si4 108.3(5) . .
C64 N8 Zr3 123.1(5) . .
C63 N8 Zr3 109.7(4) . .
Si4 N8 Zr3 91.1(2) . .
N7 Si4 N8 95.5(2) . .
N7 Si4 C61 113.8(3) . .
N8 Si4 C61 114.6(4) . .
N7 Si4 C62 118.3(3) . .
N8 Si4 C62 108.1(3) . .
C61 Si4 C62 106.4(4) . .
N7 Si4 Zr3 42.16(14) . .
N8 Si4 Zr3 53.58(16) . .
C61 Si4 Zr3 130.9(3) . .
C62 Si4 Zr3 122.7(3) . .
C50 C49 C54 118.6(5) . .
C50 C49 N7 121.6(5) . .
C54 C49 N7 119.9(5) . .
C51 C50 C49 119.7(5) . .
C51 C50 C58 117.4(5) . .
C49 C50 C58 122.9(5) . .
C52 C51 C50 122.0(6) . .
C52 C51 H51 119.0 . .
C50 C51 H51 119.0 . .
C53 C52 C51 119.3(6) . .
C53 C52 H52 120.4 . .
C51 C52 H52 120.4 . .
C52 C53 C54 121.4(6) . .
C52 C53 H53 119.3 . .
C54 C53 H53 119.3 . .
C53 C54 C49 118.9(5) . .
C53 C54 C55 118.1(5) . .
C49 C54 C55 123.0(5) . .
C54 C55 C56 112.8(6) . .
C54 C55 C57 109.9(6) . .
C56 C55 C57 110.7(6) . .
C54 C55 H55 107.7 . .
C56 C55 H55 107.7 . .
C57 C55 H55 107.7 . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55 C57 H57A 109.5 . .
C55 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C55 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C59 C58 C50 109.8(5) . .
C59 C58 C60 111.4(6) . .
C50 C58 C60 111.8(5) . .
C59 C58 H58 107.9 . .
C50 C58 H58 107.9 . .
C60 C58 H58 107.9 . .
C58 C59 H59A 109.5 . .
C58 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C58 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C58 C60 H60A 109.5 . .
C58 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C58 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
Si4 C61 H61A 109.5 . .
Si4 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
Si4 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
Si4 C62 H62A 109.5 . .
Si4 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
Si4 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
N8 C63 H63A 109.5 . .
N8 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N8 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
N8 C64 H64A 109.5 . .
N8 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
N8 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 N3 2.150(4) .
Zr1 N1 2.152(4) .
Zr1 Cl2 2.4006(17) .
Zr1 Cl1 2.4032(17) .
Zr1 N4 2.460(6) .
Zr1 N2 2.502(5) .
Zr1 Si2 3.0682(19) .
Zr1 Si1 3.0844(18) .
N1 C1 1.428(7) .
N1 Si1 1.717(5) .
N2 C16 1.451(10) .
N2 C15 1.552(10) .
N2 Si1 1.775(5) .
N3 C17 1.428(7) .
N3 Si2 1.720(5) .
N4 C31 1.426(13) .
N4 C32 1.446(14) .
N4 Si2 1.771(5) .
Si1 C13 1.838(9) .
Si1 C14 1.861(9) .
Si2 C29 1.817(10) .
Si2 C30 1.825(11) .
C1 C2 1.407(7) .
C1 C6 1.421(8) .
C2 C3 1.382(8) .
C2 C10 1.505(8) .
C3 C4 1.363(9) .
C3 H3 0.9400 .
C4 C5 1.377(9) .
C4 H4 0.9400 .
C5 C6 1.390(8) .
C5 H5 0.9400 .
C6 C7 1.512(8) .
C7 C9 1.506(10) .
C7 C8 1.564(11) .
C7 H7 0.9900 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 H8C 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 H9C 0.9700 .
C10 C11 1.526(9) .
C10 C12 1.547(9) .
C10 H10 0.9900 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 H11C 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 H12C 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 H13C 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 H14C 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 H16C 0.9700 .
C17 C18 1.399(8) .
C17 C22 1.422(8) .
C18 C19 1.387(9) .
C18 C26 1.494(10) .
C19 C20 1.377(10) .
C19 H19 0.9400 .
C20 C21 1.350(11) .
C20 H20 0.9400 .
C21 C22 1.382(9) .
C21 H21 0.9400 .
C22 C23 1.508(9) .
C23 C25 1.529(11) .
C23 C24 1.564(10) .
C23 H23 0.9900 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9700 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 H25C 0.9700 .
C26 C27 1.511(11) .
C26 C28 1.534(11) .
C26 H26 0.9900 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 H27C 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 H28C 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 H29C 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H30C 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 H31C 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H32C 0.9700 .
Zr2 N5 2.157(4) .
Zr2 N5 2.157(4) 2_755
Zr2 Cl3 2.3967(18) 2_755
Zr2 Cl3 2.3967(18) .
Zr2 N6 2.468(6) .
Zr2 N6 2.468(6) 2_755
Zr2 Si3 3.0689(18) .
Zr2 Si3 3.0689(18) 2_755
N5 C33 1.437(7) .
N5 Si3 1.695(5) .
N6 C48 1.396(12) .
N6 C47 1.502(14) .
N6 Si3 1.756(6) .
Si3 C45 1.822(10) .
Si3 C46 1.860(10) .
C33 C38 1.404(8) .
C33 C34 1.406(8) .
C34 C35 1.391(9) .
C34 C42 1.519(9) .
C35 C36 1.369(10) .
C35 H35 0.9400 .
C36 C37 1.353(10) .
C36 H36 0.9400 .
C37 C38 1.406(9) .
C37 H37 0.9400 .
C38 C39 1.503(9) .
C39 C40 1.546(11) .
C39 C41 1.508(11) .
C39 H39 0.9900 .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C40 H40C 0.9700 .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C41 H41C 0.9700 .
C42 C44 1.503(11) .
C42 C43 1.531(11) .
C42 H42 0.9900 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C43 H43C 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C44 H44C 0.9700 .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C45 H45C 0.9700 .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C46 H46C 0.9700 .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C47 H47C 0.9700 .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C48 H48C 0.9700 .
Zr3 N7 2.155(4) .
Zr3 N7 2.155(4) 2
Zr3 Cl4 2.4062(16) .
Zr3 Cl4 2.4062(16) 2
Zr3 N8 2.488(5) 2
Zr3 N8 2.488(5) .
Zr3 Si4 3.0914(17) .
Zr3 Si4 3.0914(17) 2
N7 C49 1.433(6) .
N7 Si4 1.710(5) .
N8 C64 1.462(9) .
N8 C63 1.539(10) .
N8 Si4 1.788(5) .
Si4 C61 1.835(8) .
Si4 C62 1.857(8) .
C49 C50 1.409(8) .
C49 C54 1.414(7) .
C50 C51 1.379(8) .
C50 C58 1.524(8) .
C51 C52 1.361(9) .
C51 H51 0.9400 .
C52 C53 1.376(10) .
C52 H52 0.9400 .
C53 C54 1.399(8) .
C53 H53 0.9400 .
C54 C55 1.500(8) .
C55 C56 1.532(9) .
C55 C57 1.531(10) .
C55 H55 0.9900 .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C56 H56C 0.9700 .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C57 H57C 0.9700 .
C58 C59 1.523(9) .
C58 C60 1.523(9) .
C58 H58 0.9900 .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C59 H59C 0.9700 .
C60 H60A 0.9700 .
C60 H60B 0.9700 .
C60 H60C 0.9700 .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C61 H61C 0.9700 .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C62 H62C 0.9700 .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C63 H63C 0.9700 .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C64 H64C 0.9700 .
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
N3 Zr1 N1 C1 143.1(8) .
Cl2 Zr1 N1 C1 15.0(5) .
Cl1 Zr1 N1 C1 -81.9(5) .
N4 Zr1 N1 C1 102.9(5) .
N2 Zr1 N1 C1 -164.9(5) .
Si2 Zr1 N1 C1 106.2(5) .
Si1 Zr1 N1 C1 -169.9(6) .
N3 Zr1 N1 Si1 -47.1(10) .
Cl2 Zr1 N1 Si1 -175.1(2) .
Cl1 Zr1 N1 Si1 88.0(2) .
N4 Zr1 N1 Si1 -87.2(2) .
N2 Zr1 N1 Si1 5.0(2) .
Si2 Zr1 N1 Si1 -83.9(2) .
N3 Zr1 N2 C16 39.2(7) .
N1 Zr1 N2 C16 -132.8(7) .
Cl2 Zr1 N2 C16 -133.0(6) .
Cl1 Zr1 N2 C16 122.4(6) .
N4 Zr1 N2 C16 -30.1(7) .
Si2 Zr1 N2 C16 4.8(7) .
Si1 Zr1 N2 C16 -128.2(7) .
N3 Zr1 N2 C15 -84.0(5) .
N1 Zr1 N2 C15 104.0(5) .
Cl2 Zr1 N2 C15 103.8(6) .
Cl1 Zr1 N2 C15 -0.8(5) .
N4 Zr1 N2 C15 -153.3(5) .
Si2 Zr1 N2 C15 -118.3(5) .
Si1 Zr1 N2 C15 108.7(6) .
N3 Zr1 N2 Si1 167.3(2) .
N1 Zr1 N2 Si1 -4.6(2) .
Cl2 Zr1 N2 Si1 -4.8(5) .
Cl1 Zr1 N2 Si1 -109.5(2) .
N4 Zr1 N2 Si1 98.1(2) .
Si2 Zr1 N2 Si1 133.0(2) .
N1 Zr1 N3 C17 144.2(8) .
Cl2 Zr1 N3 C17 -88.9(5) .
Cl1 Zr1 N3 C17 7.9(5) .
N4 Zr1 N3 C17 -173.6(5) .
N2 Zr1 N3 C17 94.8(5) .
Si2 Zr1 N3 C17 -170.3(6) .
Si1 Zr1 N3 C17 106.2(5) .
N1 Zr1 N3 Si2 -45.6(10) .
Cl2 Zr1 N3 Si2 81.4(2) .
Cl1 Zr1 N3 Si2 178.2(2) .
N4 Zr1 N3 Si2 -3.3(2) .
N2 Zr1 N3 Si2 -94.9(2) .
Si1 Zr1 N3 Si2 -83.6(3) .
N3 Zr1 N4 C31 118.7(10) .
N1 Zr1 N4 C31 -68.1(10) .
Cl2 Zr1 N4 C31 16.7(10) .
Cl1 Zr1 N4 C31 121.8(10) .
N2 Zr1 N4 C31 -136.7(10) .
Si2 Zr1 N4 C31 115.5(11) .
Si1 Zr1 N4 C31 -101.2(10) .
N3 Zr1 N4 C32 -115.4(9) .
N1 Zr1 N4 C32 57.9(9) .
Cl2 Zr1 N4 C32 142.7(9) .
Cl1 Zr1 N4 C32 -112.2(9) .
N2 Zr1 N4 C32 -10.7(9) .
Si2 Zr1 N4 C32 -118.5(10) .
Si1 Zr1 N4 C32 24.7(9) .
N3 Zr1 N4 Si2 3.1(2) .
N1 Zr1 N4 Si2 176.3(2) .
Cl2 Zr1 N4 Si2 -98.9(2) .
Cl1 Zr1 N4 Si2 6.3(5) .
N2 Zr1 N4 Si2 107.8(3) .
Si1 Zr1 N4 Si2 143.2(2) .
C1 N1 Si1 N2 165.6(4) .
Zr1 N1 Si1 N2 -6.5(3) .
C1 N1 Si1 C13 42.3(6) .
Zr1 N1 Si1 C13 -129.8(4) .
C1 N1 Si1 C14 -80.6(5) .
Zr1 N1 Si1 C14 107.3(4) .
C1 N1 Si1 Zr1 172.1(5) .
C16 N2 Si1 N1 138.4(7) .
C15 N2 Si1 N1 -105.0(5) .
Zr1 N2 Si1 N1 5.4(2) .
C16 N2 Si1 C13 -100.3(8) .
C15 N2 Si1 C13 16.4(7) .
Zr1 N2 Si1 C13 126.8(4) .
C16 N2 Si1 C14 16.9(8) .
C15 N2 Si1 C14 133.5(6) .
Zr1 N2 Si1 C14 -116.1(4) .
C16 N2 Si1 Zr1 133.0(7) .
C15 N2 Si1 Zr1 -110.4(5) .
N3 Zr1 Si1 N1 168.8(3) .
Cl2 Zr1 Si1 N1 5.5(2) .
Cl1 Zr1 Si1 N1 -98.8(2) .
N4 Zr1 Si1 N1 100.3(3) .
N2 Zr1 Si1 N1 -172.0(3) .
Si2 Zr1 Si1 N1 126.0(2) .
N3 Zr1 Si1 N2 -19.2(3) .
N1 Zr1 Si1 N2 172.0(3) .
Cl2 Zr1 Si1 N2 177.5(3) .
Cl1 Zr1 Si1 N2 73.2(3) .
N4 Zr1 Si1 N2 -87.7(3) .
Si2 Zr1 Si1 N2 -62.0(3) .
N3 Zr1 Si1 C13 -113.6(5) .
N1 Zr1 Si1 C13 77.7(5) .
Cl2 Zr1 Si1 C13 83.2(4) .
Cl1 Zr1 Si1 C13 -21.2(4) .
N4 Zr1 Si1 C13 177.9(5) .
N2 Zr1 Si1 C13 -94.3(5) .
Si2 Zr1 Si1 C13 -156.3(4) .
N3 Zr1 Si1 C14 71.0(4) .
N1 Zr1 Si1 C14 -97.8(4) .
Cl2 Zr1 Si1 C14 -92.3(4) .
Cl1 Zr1 Si1 C14 163.4(4) .
N4 Zr1 Si1 C14 2.5(4) .
N2 Zr1 Si1 C14 90.2(4) .
Si2 Zr1 Si1 C14 28.3(4) .
C17 N3 Si2 N4 176.2(5) .
Zr1 N3 Si2 N4 4.3(3) .
C17 N3 Si2 C29 -67.7(8) .
Zr1 N3 Si2 C29 120.4(7) .
C17 N3 Si2 C30 61.8(8) .
Zr1 N3 Si2 C30 -110.1(7) .
C17 N3 Si2 Zr1 171.9(5) .
C31 N4 Si2 N3 -121.3(8) .
C32 N4 Si2 N3 119.1(8) .
Zr1 N4 Si2 N3 -3.7(3) .
C31 N4 Si2 C29 114.6(10) .
C32 N4 Si2 C29 -5.0(10) .
Zr1 N4 Si2 C29 -127.8(5) .
C31 N4 Si2 C30 -1.6(10) .
C32 N4 Si2 C30 -121.1(9) .
Zr1 N4 Si2 C30 116.1(5) .
C31 N4 Si2 Zr1 -117.6(9) .
C32 N4 Si2 Zr1 122.8(8) .
N1 Zr1 Si2 N3 169.2(3) .
Cl2 Zr1 Si2 N3 -103.1(2) .
Cl1 Zr1 Si2 N3 -2.1(2) .
N4 Zr1 Si2 N3 174.6(4) .
N2 Zr1 Si2 N3 95.0(3) .
Si1 Zr1 Si2 N3 126.9(2) .
N3 Zr1 Si2 N4 -174.6(4) .
N1 Zr1 Si2 N4 -5.5(3) .
Cl2 Zr1 Si2 N4 82.3(3) .
Cl1 Zr1 Si2 N4 -176.7(3) .
N2 Zr1 Si2 N4 -79.7(3) .
Si1 Zr1 Si2 N4 -47.7(3) .
N3 Zr1 Si2 C29 -90.9(5) .
N1 Zr1 Si2 C29 78.3(5) .
Cl2 Zr1 Si2 C29 166.0(5) .
Cl1 Zr1 Si2 C29 -92.9(5) .
N4 Zr1 Si2 C29 83.8(5) .
N2 Zr1 Si2 C29 4.1(5) .
Si1 Zr1 Si2 C29 36.0(5) .
N3 Zr1 Si2 C30 94.5(6) .
N1 Zr1 Si2 C30 -96.3(6) .
Cl2 Zr1 Si2 C30 -8.6(5) .
Cl1 Zr1 Si2 C30 92.5(5) .
N4 Zr1 Si2 C30 -90.9(6) .
N2 Zr1 Si2 C30 -170.5(5) .
Si1 Zr1 Si2 C30 -138.6(5) .
Si1 N1 C1 C2 84.5(5) .
Zr1 N1 C1 C2 -106.6(6) .
Si1 N1 C1 C6 -93.1(5) .
Zr1 N1 C1 C6 75.8(6) .
C6 C1 C2 C3 1.1(8) .
N1 C1 C2 C3 -176.5(5) .
C6 C1 C2 C10 -175.6(5) .
N1 C1 C2 C10 6.8(8) .
C1 C2 C3 C4 -0.3(9) .
C10 C2 C3 C4 176.5(6) .
C2 C3 C4 C5 -0.9(10) .
C3 C4 C5 C6 1.4(10) .
C4 C5 C6 C1 -0.5(9) .
C4 C5 C6 C7 179.6(6) .
C2 C1 C6 C5 -0.7(8) .
N1 C1 C6 C5 177.0(5) .
C2 C1 C6 C7 179.1(5) .
N1 C1 C6 C7 -3.2(8) .
C5 C6 C7 C9 -53.2(8) .
C1 C6 C7 C9 126.9(7) .
C5 C6 C7 C8 71.0(7) .
C1 C6 C7 C8 -108.8(7) .
C3 C2 C10 C11 53.6(8) .
C1 C2 C10 C11 -129.7(6) .
C3 C2 C10 C12 -68.2(7) .
C1 C2 C10 C12 108.5(6) .
Si2 N3 C17 C18 89.9(6) .
Zr1 N3 C17 C18 -101.1(6) .
Si2 N3 C17 C22 -91.1(6) .
Zr1 N3 C17 C22 77.9(6) .
C22 C17 C18 C19 0.7(8) .
N3 C17 C18 C19 179.8(5) .
C22 C17 C18 C26 -178.0(6) .
N3 C17 C18 C26 1.1(8) .
C17 C18 C19 C20 -0.6(9) .
C26 C18 C19 C20 178.1(6) .
C18 C19 C20 C21 0.3(10) .
C19 C20 C21 C22 -0.1(11) .
C20 C21 C22 C17 0.2(10) .
C20 C21 C22 C23 -178.8(6) .
C18 C17 C22 C21 -0.5(8) .
N3 C17 C22 C21 -179.6(5) .
C18 C17 C22 C23 178.5(6) .
N3 C17 C22 C23 -0.6(8) .
C21 C22 C23 C25 66.3(8) .
C17 C22 C23 C25 -112.7(7) .
C21 C22 C23 C24 -57.8(9) .
C17 C22 C23 C24 123.2(7) .
C19 C18 C26 C27 -63.8(8) .
C17 C18 C26 C27 114.9(7) .
C19 C18 C26 C28 62.0(8) .
C17 C18 C26 C28 -119.3(7) .
N5 Zr2 N5 C33 -142.2(5) 2_755
Cl3 Zr2 N5 C33 -10.8(5) 2_755
Cl3 Zr2 N5 C33 87.2(5) .
N6 Zr2 N5 C33 171.4(5) .
N6 Zr2 N5 C33 -98.0(5) 2_755
Si3 Zr2 N5 C33 170.4(6) .
Si3 Zr2 N5 C33 -102.9(5) 2_755
N5 Zr2 N5 Si3 47.4(2) 2_755
Cl3 Zr2 N5 Si3 178.8(2) 2_755
Cl3 Zr2 N5 Si3 -83.2(2) .
N6 Zr2 N5 Si3 1.0(2) .
N6 Zr2 N5 Si3 91.6(3) 2_755
Si3 Zr2 N5 Si3 86.7(3) 2_755
N5 Zr2 N6 C48 126.6(13) .
N5 Zr2 N6 C48 -47.1(13) 2_755
Cl3 Zr2 N6 C48 121.9(12) 2_755
Cl3 Zr2 N6 C48 -131.6(13) .
N6 Zr2 N6 C48 21.1(12) 2_755
Si3 Zr2 N6 C48 127.6(13) .
Si3 Zr2 N6 C48 -13.6(13) 2_755
N5 Zr2 N6 C47 -112.0(9) .
N5 Zr2 N6 C47 74.2(9) 2_755
Cl3 Zr2 N6 C47 -116.8(9) 2_755
Cl3 Zr2 N6 C47 -10.2(9) .
N6 Zr2 N6 C47 142.4(9) 2_755
Si3 Zr2 N6 C47 -111.1(9) .
Si3 Zr2 N6 C47 107.8(9) 2_755
N5 Zr2 N6 Si3 -0.9(2) .
N5 Zr2 N6 Si3 -174.7(2) 2_755
Cl3 Zr2 N6 Si3 -5.7(6) 2_755
Cl3 Zr2 N6 Si3 100.8(3) .
N6 Zr2 N6 Si3 -106.5(3) 2_755
Si3 Zr2 N6 Si3 -141.2(2) 2_755
C33 N5 Si3 N6 -173.2(5) .
Zr2 N5 Si3 N6 -1.3(3) .
C33 N5 Si3 C45 -54.2(8) .
Zr2 N5 Si3 C45 117.7(7) .
C33 N5 Si3 C46 74.0(7) .
Zr2 N5 Si3 C46 -114.1(6) .
C33 N5 Si3 Zr2 -171.9(5) .
C48 N6 Si3 N5 -133.3(11) .
C47 N6 Si3 N5 115.3(7) .
Zr2 N6 Si3 N5 1.1(3) .
C48 N6 Si3 C45 105.8(12) .
C47 N6 Si3 C45 -5.6(9) .
Zr2 N6 Si3 C45 -119.8(5) .
C48 N6 Si3 C46 -12.8(12) .
C47 N6 Si3 C46 -124.2(9) .
Zr2 N6 Si3 C46 121.6(5) .
C48 N6 Si3 Zr2 -134.4(11) .
C47 N6 Si3 Zr2 114.2(8) .
N5 Zr2 Si3 N5 -170.2(3) 2_755
Cl3 Zr2 Si3 N5 -1.4(2) 2_755
Cl3 Zr2 Si3 N5 101.3(2) .
N6 Zr2 Si3 N5 -178.4(4) .
N6 Zr2 Si3 N5 -98.0(3) 2_755
Si3 Zr2 Si3 N5 -126.0(2) 2_755
N5 Zr2 Si3 N6 178.4(4) .
N5 Zr2 Si3 N6 8.2(4) 2_755
Cl3 Zr2 Si3 N6 177.0(3) 2_755
Cl3 Zr2 Si3 N6 -80.4(3) .
N6 Zr2 Si3 N6 80.4(4) 2_755
Si3 Zr2 Si3 N6 52.4(3) 2_755
N5 Zr2 Si3 C45 -88.7(6) .
N5 Zr2 Si3 C45 101.1(5) 2_755
Cl3 Zr2 Si3 C45 -90.1(5) 2_755
Cl3 Zr2 Si3 C45 12.6(5) .
N6 Zr2 Si3 C45 92.9(6) .
N6 Zr2 Si3 C45 173.3(5) 2_755
Si3 Zr2 Si3 C45 145.3(5) 2_755
N5 Zr2 Si3 C46 92.7(5) .
N5 Zr2 Si3 C46 -77.5(5) 2_755
Cl3 Zr2 Si3 C46 91.3(5) 2_755
Cl3 Zr2 Si3 C46 -166.1(5) .
N6 Zr2 Si3 C46 -85.7(6) .
N6 Zr2 Si3 C46 -5.3(5) 2_755
Si3 Zr2 Si3 C46 -33.3(5) 2_755
Si3 N5 C33 C38 -90.0(5) .
Zr2 N5 C33 C38 100.8(6) .
Si3 N5 C33 C34 90.2(6) .
Zr2 N5 C33 C34 -79.0(6) .
C38 C33 C34 C35 0.1(8) .
N5 C33 C34 C35 179.9(5) .
C38 C33 C34 C42 -177.0(5) .
N5 C33 C34 C42 2.8(9) .
C33 C34 C35 C36 1.3(9) .
C42 C34 C35 C36 178.6(6) .
C34 C35 C36 C37 -2.3(10) .
C35 C36 C37 C38 1.9(10) .
C34 C33 C38 C37 -0.5(8) .
N5 C33 C38 C37 179.7(5) .
C34 C33 C38 C39 177.4(6) .
N5 C33 C38 C39 -2.4(8) .
C36 C37 C38 C33 -0.5(9) .
C36 C37 C38 C39 -178.5(6) .
C33 C38 C39 C40 119.8(7) .
C37 C38 C39 C40 -62.3(8) .
C33 C38 C39 C41 -115.0(7) .
C37 C38 C39 C41 63.0(8) .
C35 C34 C42 C44 -67.0(8) .
C33 C34 C42 C44 110.2(7) .
C35 C34 C42 C43 57.3(8) .
C33 C34 C42 C43 -125.6(7) .
N7 Zr3 N7 C49 -148.1(5) 2
Cl4 Zr3 N7 C49 80.2(5) .
Cl4 Zr3 N7 C49 -14.4(5) 2
N8 Zr3 N7 C49 -103.7(5) 2
N8 Zr3 N7 C49 163.9(5) .
Si4 Zr3 N7 C49 168.1(6) .
Si4 Zr3 N7 C49 -116.5(4) 2
N7 Zr3 N7 Si4 43.79(17) 2
Cl4 Zr3 N7 Si4 -87.86(19) .
Cl4 Zr3 N7 Si4 177.5(2) 2
N8 Zr3 N7 Si4 88.2(2) 2
N8 Zr3 N7 Si4 -4.2(2) .
Si4 Zr3 N7 Si4 75.4(3) 2
N7 Zr3 N8 C64 129.4(6) .
N7 Zr3 N8 C64 -38.8(6) 2
Cl4 Zr3 N8 C64 -123.9(6) .
Cl4 Zr3 N8 C64 133.0(5) 2
N8 Zr3 N8 C64 29.4(6) 2
Si4 Zr3 N8 C64 125.6(7) .
Si4 Zr3 N8 C64 -6.2(6) 2
N7 Zr3 N8 C63 -106.1(5) .
N7 Zr3 N8 C63 85.7(5) 2
Cl4 Zr3 N8 C63 0.6(5) .
Cl4 Zr3 N8 C63 -102.5(5) 2
N8 Zr3 N8 C63 153.9(5) 2
Si4 Zr3 N8 C63 -109.9(5) .
Si4 Zr3 N8 C63 118.3(5) 2
N7 Zr3 N8 Si4 3.83(18) .
N7 Zr3 N8 Si4 -164.4(2) 2
Cl4 Zr3 N8 Si4 110.48(19) .
Cl4 Zr3 N8 Si4 7.4(4) 2
N8 Zr3 N8 Si4 -96.2(2) 2
Si4 Zr3 N8 Si4 -131.77(18) 2
C49 N7 Si4 N8 -165.1(4) .
Zr3 N7 Si4 N8 5.4(3) .
C49 N7 Si4 C61 -45.1(5) .
Zr3 N7 Si4 C61 125.4(4) .
C49 N7 Si4 C62 80.9(5) .
Zr3 N7 Si4 C62 -108.6(4) .
C49 N7 Si4 Zr3 -170.5(5) .
C64 N8 Si4 N7 -133.6(6) .
C63 N8 Si4 N7 106.7(5) .
Zr3 N8 Si4 N7 -4.5(2) .
C64 N8 Si4 C61 107.0(7) .
C63 N8 Si4 C61 -12.6(6) .
Zr3 N8 Si4 C61 -123.8(3) .
C64 N8 Si4 C62 -11.4(7) .
C63 N8 Si4 C62 -131.0(5) .
Zr3 N8 Si4 C62 117.8(3) .
C64 N8 Si4 Zr3 -129.2(7) .
C63 N8 Si4 Zr3 111.2(5) .
N7 Zr3 Si4 N7 -164.6(2) 2
Cl4 Zr3 Si4 N7 100.1(2) .
Cl4 Zr3 Si4 N7 -2.8(2) 2
N8 Zr3 Si4 N7 -97.8(2) 2
N8 Zr3 Si4 N7 173.3(3) .
Si4 Zr3 Si4 N7 -127.9(2) 2
N7 Zr3 Si4 N8 -173.3(3) .
N7 Zr3 Si4 N8 22.0(3) 2
Cl4 Zr3 Si4 N8 -73.2(2) .
Cl4 Zr3 Si4 N8 -176.1(2) 2
N8 Zr3 Si4 N8 88.9(3) 2
Si4 Zr3 Si4 N8 58.8(2) 2
N7 Zr3 Si4 C61 -80.7(4) .
N7 Zr3 Si4 C61 114.6(4) 2
Cl4 Zr3 Si4 C61 19.4(4) .
Cl4 Zr3 Si4 C61 -83.5(4) 2
N8 Zr3 Si4 C61 -178.5(4) 2
N8 Zr3 Si4 C61 92.6(4) .
Si4 Zr3 Si4 C61 151.4(4) 2
N7 Zr3 Si4 C62 97.6(4) .
N7 Zr3 Si4 C62 -67.1(4) 2
Cl4 Zr3 Si4 C62 -162.3(3) .
Cl4 Zr3 Si4 C62 94.8(3) 2
N8 Zr3 Si4 C62 -0.2(3) 2
N8 Zr3 Si4 C62 -89.1(4) .
Si4 Zr3 Si4 C62 -30.3(3) 2
Si4 N7 C49 C50 93.8(5) .
Zr3 N7 C49 C50 -73.1(7) .
Si4 N7 C49 C54 -86.3(5) .
Zr3 N7 C49 C54 106.7(5) .
C54 C49 C50 C51 2.0(8) .
N7 C49 C50 C51 -178.2(5) .
C54 C49 C50 C58 -178.0(5) .
N7 C49 C50 C58 1.9(8) .
C49 C50 C51 C52 0.1(9) .
C58 C50 C51 C52 -180.0(6) .
C50 C51 C52 C53 -1.0(10) .
C51 C52 C53 C54 -0.2(10) .
C52 C53 C54 C49 2.3(9) .
C52 C53 C54 C55 -175.7(6) .
C50 C49 C54 C53 -3.1(8) .
N7 C49 C54 C53 177.0(5) .
C50 C49 C54 C55 174.7(5) .
N7 C49 C54 C55 -5.1(8) .
C53 C54 C55 C56 -56.1(8) .
C49 C54 C55 C56 126.1(6) .
C53 C54 C55 C57 67.9(7) .
C49 C54 C55 C57 -109.9(6) .
C51 C50 C58 C59 -68.0(7) .
C49 C50 C58 C59 111.9(6) .
C51 C50 C58 C60 56.2(8) .
C49 C50 C58 C60 -123.8(6) .
