#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:32 +0100 (vie 25 de mar de 2016) $
#$Revision: 179805 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/01/7010167.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_7010167
loop_
_publ_author_name
'Danièle, Stephane'
'Hitchcock, Peter B.'
'Lappert, Michael F.'
'Merle, Philippe G.'
_publ_section_title
;
 Synthesis, structures and catalytic properties of chelating
 N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides
 [and a titanium(IV) analogue] and dimethylamides †
;
_journal_issue                   1
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              13
_journal_paper_doi               10.1039/b006596j
_journal_year                    2001
_chemical_formula_moiety         'C36 H68 N8 Si4 Zr2'
_chemical_formula_sum            'C36 H68 N8 Si4 Zr2'
_chemical_formula_weight         907.78
_chemical_name_common            '[{Zr(C6H4(NSiMe2vinyl)2)(NMe2)2}2]'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 111.00(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.596(11)
_cell_length_b                   10.248(4)
_cell_length_c                   25.869(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_volume                     4602(4)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       'omega-2theta scan'
_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  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            6614
_diffrn_reflns_theta_max         22.99
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    0.590
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.35
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_refine_diff_density_max         3.147
_refine_diff_density_min         -2.101
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.100
_refine_ls_goodness_of_fit_obs   1.116
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6398
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_restrained_S_obs      1.116
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_obs          0.0704
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1522P)²+5.3904P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1995
_refine_ls_wR_factor_obs         0.1918
_reflns_number_observed          5776
_reflns_number_total             6398
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b006596j.txt
_cod_data_source_block           jun397-MFL4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1522P)^2^+5.3904P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1522P)^2^+5.3904P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4602.5(40)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7010167
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y+1/2, z+1/2'
'-x, -y, -z'
'-x, y-1/2, -z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Zr1 Zr 0.26431(3) 0.16277(4) 0.55509(2) 0.0167(2) Uani 1 d . .
Zr2 Zr 0.25288(3) 0.21486(5) 0.41392(2) 0.0163(2) Uani 1 d . .
Si1 Si 0.14932(8) -0.0734(2) 0.59405(6) 0.0293(4) Uani 1 d . .
Si2 Si 0.42416(9) 0.1907(2) 0.68420(6) 0.0259(4) Uani 1 d . .
Si3 Si 0.09498(9) 0.16489(15) 0.28892(6) 0.0261(4) Uani 1 d . .
Si4 Si 0.31934(9) 0.53320(14) 0.39942(6) 0.0263(4) Uani 1 d . .
N1 N 0.2280(2) -0.0131(4) 0.5807(2) 0.0213(10) Uani 1 d . .
N2 N 0.3646(2) 0.1171(4) 0.6238(2) 0.0221(10) Uani 1 d . .
N3 N 0.1423(2) 0.2405(4) 0.3521(2) 0.0218(10) Uani 1 d . .
N4 N 0.2531(2) 0.4184(4) 0.4039(2) 0.0207(9) Uani 1 d . .
N5 N 0.3403(2) 0.2203(4) 0.5067(2) 0.0215(10) Uani 1 d . .
N6 N 0.1965(2) 0.1034(4) 0.4648(2) 0.0202(9) Uani 1 d . .
N7 N 0.2106(3) 0.3220(4) 0.5700(2) 0.0272(11) Uani 1 d . .
N8 N 0.3129(3) 0.1183(4) 0.3743(2) 0.0261(10) Uani 1 d . .
C1 C 0.2961(3) -0.0873(5) 0.5943(2) 0.0220(11) Uani 1 d . .
C2 C 0.3673(3) -0.0188(5) 0.6172(2) 0.0198(11) Uani 1 d . .
C3 C 0.4358(3) -0.0917(6) 0.6306(2) 0.0273(12) Uani 1 d . .
H3 H 0.4840(3) -0.0482(6) 0.6455(2) 0.033 Uiso 1 calc R .
C4 C 0.4345(4) -0.2245(6) 0.6225(2) 0.0356(15) Uani 1 d . .
H4 H 0.4817(4) -0.2711(6) 0.6322(2) 0.043 Uiso 1 calc R .
C5 C 0.3655(4) -0.2911(6) 0.6007(2) 0.0333(14) Uani 1 d . .
H5 H 0.3652(4) -0.3830(6) 0.5958(2) 0.040 Uiso 1 calc R .
C6 C 0.2966(3) -0.2222(5) 0.5859(2) 0.0273(13) Uani 1 d . .
H6 H 0.2492(3) -0.2674(5) 0.5698(2) 0.033 Uiso 1 calc R .
C7 C 0.1822(4) -0.1554(9) 0.6628(3) 0.063(2) Uani 1 d . .
H7A H 0.2166(4) -0.2279(9) 0.6628(3) 0.095 Uiso 1 calc R .
H7B H 0.1375(4) -0.1888(9) 0.6702(3) 0.095 Uiso 1 calc R .
H7C H 0.2099(4) -0.0925(9) 0.6916(3) 0.095 Uiso 1 calc R .
C8 C 0.0837(3) 0.0653(7) 0.5929(3) 0.042(2) Uani 1 d . .
H8A H 0.0668(3) 0.1073(7) 0.5565(3) 0.064 Uiso 1 calc R .
H8B H 0.1112(3) 0.1289(7) 0.6214(3) 0.064 Uiso 1 calc R .
H8C H 0.0388(3) 0.0325(7) 0.6002(3) 0.064 Uiso 1 calc R .
C9 C 0.0921(4) -0.1936(7) 0.5399(3) 0.046(2) Uani 1 d . .
H9 H 0.0787(4) -0.1660(7) 0.5026(3) 0.055 Uiso 1 calc R .
C10 C 0.0686(5) -0.3082(8) 0.5468(4) 0.068(2) Uani 1 d . .
H10A H 0.0799(5) -0.3416(8) 0.5831(4) 0.082 Uiso 1 calc R .
H10B H 0.0399(5) -0.3593(8) 0.5156(4) 0.082 Uiso 1 calc R .
C11 C 0.4172(3) 0.0988(7) 0.7444(2) 0.040(2) Uani 1 d . .
H11A H 0.4340(3) 0.0085(7) 0.7432(2) 0.060 Uiso 1 calc R .
H11B H 0.3637(3) 0.0994(7) 0.7427(2) 0.060 Uiso 1 calc R .
H11C H 0.4502(3) 0.1402(7) 0.7789(2) 0.060 Uiso 1 calc R .
C12 C 0.3926(4) 0.3619(7) 0.6859(3) 0.055(2) Uani 1 d . .
H12A H 0.3964(4) 0.4096(7) 0.6542(3) 0.082 Uiso 1 calc R .
H12B H 0.4256(4) 0.4036(7) 0.7203(3) 0.082 Uiso 1 calc R .
H12C H 0.3391(4) 0.3628(7) 0.6842(3) 0.082 Uiso 1 calc R .
C13 C 0.5273(3) 0.1985(6) 0.6897(2) 0.0357(14) Uani 1 d . .
H13 H 0.5367(3) 0.2131(6) 0.6565(2) 0.043 Uiso 1 calc R .
C14 C 0.5872(4) 0.1859(7) 0.7349(3) 0.045(2) Uani 1 d . .
H14A H 0.5807(4) 0.1712(7) 0.7692(3) 0.054 Uiso 1 calc R .
H14B H 0.6376(4) 0.1914(7) 0.7336(3) 0.054 Uiso 1 calc R .
C15 C 0.1173(3) 0.3603(5) 0.3660(2) 0.0227(12) Uani 1 d . .
C16 C 0.1751(3) 0.4556(5) 0.3924(2) 0.0231(12) Uani 1 d . .
C17 C 0.1524(3) 0.5773(5) 0.4068(2) 0.0290(13) Uani 1 d . .
H17 H 0.1904(3) 0.6415(5) 0.4239(2) 0.035 Uiso 1 calc R .
C18 C 0.0761(4) 0.6044(6) 0.3964(2) 0.0362(14) Uani 1 d . .
H18 H 0.0618(4) 0.6874(6) 0.4059(2) 0.043 Uiso 1 calc R .
C19 C 0.0205(4) 0.5123(6) 0.3723(3) 0.040(2) Uani 1 d . .
H19 H -0.0320(4) 0.5320(6) 0.3654(3) 0.048 Uiso 1 calc R .
C20 C 0.0404(3) 0.3909(6) 0.3580(2) 0.0297(13) Uani 1 d . .
H20 H 0.0014(3) 0.3273(6) 0.3425(2) 0.036 Uiso 1 calc R .
C21 C 0.1050(4) 0.2676(7) 0.2324(2) 0.044(2) Uani 1 d . .
H21A H 0.0808(4) 0.3527(7) 0.2321(2) 0.066 Uiso 1 calc R .
H21B H 0.0798(4) 0.2242(7) 0.1967(2) 0.066 Uiso 1 calc R .
H21C H 0.1597(4) 0.2800(7) 0.2387(2) 0.066 Uiso 1 calc R .
C22 C -0.0102(4) 0.1318(8) 0.2725(3) 0.055(2) Uani 1 d . .
H22A H -0.0166(4) 0.0778(8) 0.3018(3) 0.082 Uiso 1 calc R .
H22B H -0.0312(4) 0.0858(8) 0.2370(3) 0.082 Uiso 1 calc R .
H22C H -0.0375(4) 0.2146(8) 0.2701(3) 0.082 Uiso 1 calc R .
C23 C 0.1410(4) 0.0028(6) 0.2896(2) 0.041(2) Uani 1 d . .
H23 H 0.1457(4) -0.0538(6) 0.3198(2) 0.049 Uiso 1 calc R .
C24 C 0.1674(5) -0.0394(10) 0.2519(4) 0.081(3) Uani 1 d . .
H24A H 0.1638(5) 0.0142(10) 0.2211(4) 0.098 Uiso 1 calc R .
H24B H 0.1901(5) -0.1235(10) 0.2554(4) 0.098 Uiso 1 calc R .
C25 C 0.2771(4) 0.6290(7) 0.3348(3) 0.051(2) Uani 1 d . .
H25A H 0.2303(4) 0.6730(7) 0.3348(3) 0.076 Uiso 1 calc R .
H25B H 0.2642(4) 0.5704(7) 0.3028(3) 0.076 Uiso 1 calc R .
H25C H 0.3145(4) 0.6942(7) 0.3326(3) 0.076 Uiso 1 calc R .
C26 C 0.4079(3) 0.4493(7) 0.3999(3) 0.042(2) Uani 1 d . .
H26A H 0.4300(3) 0.3988(7) 0.4341(3) 0.062 Uiso 1 calc R .
H26B H 0.4455(3) 0.5143(7) 0.3978(3) 0.062 Uiso 1 calc R .
H26C H 0.3952(3) 0.3905(7) 0.3680(3) 0.062 Uiso 1 calc R .
C27 C 0.3490(3) 0.6478(6) 0.4604(2) 0.0332(14) Uani 1 d . .
H27 H 0.3163(3) 0.6529(6) 0.4814(2) 0.040 Uiso 1 calc R .
C28 C 0.4094(4) 0.7195(7) 0.4759(3) 0.046(2) Uani 1 d . .
H28A H 0.4437(4) 0.7174(7) 0.4561(3) 0.055 Uiso 1 calc R .
H28B H 0.4200(4) 0.7747(7) 0.5073(3) 0.055 Uiso 1 calc R .
C29 C 0.4030(3) 0.1264(6) 0.5122(2) 0.0299(13) Uani 1 d . .
H29A H 0.3807(3) 0.0413(6) 0.4976(2) 0.045 Uiso 1 calc R .
H29B H 0.4355(3) 0.1175(6) 0.5513(2) 0.045 Uiso 1 calc R .
H29C H 0.4341(3) 0.1580(6) 0.4912(2) 0.045 Uiso 1 calc R .
C30 C 0.3773(3) 0.3461(6) 0.5292(2) 0.0312(14) Uani 1 d . .
H30A H 0.3375(3) 0.4114(6) 0.5264(2) 0.047 Uiso 1 calc R .
H30B H 0.4087(3) 0.3755(6) 0.5081(2) 0.047 Uiso 1 calc R .
H30C H 0.4101(3) 0.3349(6) 0.5682(2) 0.047 Uiso 1 calc R .
C31 C 0.2094(4) -0.0335(6) 0.4525(2) 0.0344(14) Uani 1 d . .
H31A H 0.2643(4) -0.0475(6) 0.4601(2) 0.052 Uiso 1 calc R .
H31B H 0.1801(4) -0.0520(6) 0.4134(2) 0.052 Uiso 1 calc R .
H31C H 0.1922(4) -0.0918(6) 0.4758(2) 0.052 Uiso 1 calc R .
C32 C 0.1135(3) 0.1196(6) 0.4527(2) 0.0299(13) Uani 1 d . .
H32A H 0.1030(3) 0.2098(6) 0.4605(2) 0.045 Uiso 1 calc R .
H32B H 0.0970(3) 0.0600(6) 0.4759(2) 0.045 Uiso 1 calc R .
H32C H 0.0850(3) 0.0999(6) 0.4136(2) 0.045 Uiso 1 calc R .
C33 C 0.1888(4) 0.3555(7) 0.6172(3) 0.044(2) Uani 1 d . .
H33A H 0.2072(4) 0.2875(7) 0.6456(3) 0.065 Uiso 1 calc R .
H33B H 0.1326(4) 0.3620(7) 0.6051(3) 0.065 Uiso 1 calc R .
H33C H 0.2120(4) 0.4393(7) 0.6326(3) 0.065 Uiso 1 calc R .
C34 C 0.1845(4) 0.4204(6) 0.5271(3) 0.043(2) Uani 1 d . .
H34A H 0.1999(4) 0.3955(6) 0.4959(3) 0.064 Uiso 1 calc R .
H34B H 0.2077(4) 0.5046(6) 0.5419(3) 0.064 Uiso 1 calc R .
H34C H 0.1283(4) 0.4274(6) 0.5143(3) 0.064 Uiso 1 calc R .
C35 C 0.3203(4) 0.1820(6) 0.3254(2) 0.0342(14) Uani 1 d . .
H35A H 0.2969(4) 0.2689(6) 0.3207(2) 0.051 Uiso 1 calc R .
H35B H 0.2940(4) 0.1293(6) 0.2923(2) 0.051 Uiso 1 calc R .
H35C H 0.3750(4) 0.1901(6) 0.3305(2) 0.051 Uiso 1 calc R .
C36 C 0.3477(4) -0.0109(6) 0.3811(3) 0.041(2) Uani 1 d . .
H36A H 0.3428(4) -0.0534(6) 0.4136(3) 0.061 Uiso 1 calc R .
H36B H 0.4024(4) -0.0027(6) 0.3862(3) 0.061 Uiso 1 calc R .
H36C H 0.3215(4) -0.0635(6) 0.3481(3) 0.061 Uiso 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'
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
_geom_angle_publ_flag
N7 Zr1 N1 113.2(2) . . ?
N7 Zr1 N2 111.4(2) . . ?
N1 Zr1 N2 80.4(2) . . ?
N7 Zr1 N5 110.0(2) . . ?
N1 Zr1 N5 136.4(2) . . ?
N2 Zr1 N5 89.1(2) . . ?
N7 Zr1 N6 106.2(2) . . ?
N1 Zr1 N6 88.41(15) . . ?
N2 Zr1 N6 142.2(2) . . ?
N5 Zr1 N6 74.49(15) . . ?
N7 Zr1 C2 136.5(2) . . ?
N1 Zr1 C2 58.1(2) . . ?
N2 Zr1 C2 30.3(2) . . ?
N5 Zr1 C2 93.3(2) . . ?
N6 Zr1 C2 115.4(2) . . ?
N7 Zr1 C1 137.7(2) . . ?
N1 Zr1 C1 30.4(2) . . ?
N2 Zr1 C1 58.3(2) . . ?
N5 Zr1 C1 110.6(2) . . ?
N6 Zr1 C1 95.48(15) . . ?
C2 Zr1 C1 30.2(2) . . ?
N7 Zr1 Zr2 102.68(13) . . ?
N1 Zr1 Zr2 122.12(11) . . ?
N2 Zr1 Zr2 126.49(12) . . ?
N5 Zr1 Zr2 39.71(10) . . ?
N6 Zr1 Zr2 37.15(10) . . ?
C2 Zr1 Zr2 117.88(11) . . ?
C1 Zr1 Zr2 115.97(10) . . ?
N8 Zr2 N4 113.4(2) . . ?
N8 Zr2 N3 103.9(2) . . ?
N4 Zr2 N3 80.1(2) . . ?
N8 Zr2 N6 120.1(2) . . ?
N4 Zr2 N6 126.5(2) . . ?
N3 Zr2 N6 88.6(2) . . ?
N8 Zr2 N5 102.8(2) . . ?
N4 Zr2 N5 94.05(15) . . ?
N3 Zr2 N5 152.8(2) . . ?
N6 Zr2 N5 73.49(15) . . ?
N8 Zr2 C15 127.3(2) . . ?
N4 Zr2 C15 57.3(2) . . ?
N3 Zr2 C15 29.1(2) . . ?
N6 Zr2 C15 89.7(2) . . ?
N5 Zr2 C15 128.1(2) . . ?
N8 Zr2 C16 131.8(2) . . ?
N4 Zr2 C16 29.4(2) . . ?
N3 Zr2 C16 56.7(2) . . ?
N6 Zr2 C16 104.2(2) . . ?
N5 Zr2 C16 107.28(15) . . ?
C15 Zr2 C16 29.5(2) . . ?
N8 Zr2 Zr1 126.52(13) . . ?
N4 Zr2 Zr1 105.61(11) . . ?
N3 Zr2 Zr1 117.99(12) . . ?
N6 Zr2 Zr1 37.95(10) . . ?
N5 Zr2 Zr1 37.87(11) . . ?
C15 Zr2 Zr1 104.07(11) . . ?
C16 Zr2 Zr1 99.71(10) . . ?
N1 Si1 C7 109.9(3) . . ?
N1 Si1 C8 108.6(3) . . ?
C7 Si1 C8 110.4(3) . . ?
N1 Si1 C9 112.2(3) . . ?
C7 Si1 C9 108.7(4) . . ?
C8 Si1 C9 107.1(3) . . ?
N2 Si2 C12 109.1(3) . . ?
N2 Si2 C11 108.7(3) . . ?
C12 Si2 C11 109.9(4) . . ?
N2 Si2 C13 113.2(2) . . ?
C12 Si2 C13 106.4(3) . . ?
C11 Si2 C13 109.5(3) . . ?
N3 Si3 C21 109.1(3) . . ?
N3 Si3 C23 108.2(2) . . ?
C21 Si3 C23 109.7(3) . . ?
N3 Si3 C22 115.4(3) . . ?
C21 Si3 C22 108.2(3) . . ?
C23 Si3 C22 106.2(3) . . ?
N4 Si4 C25 109.7(3) . . ?
N4 Si4 C26 109.6(3) . . ?
C25 Si4 C26 109.8(3) . . ?
N4 Si4 C27 111.6(2) . . ?
C25 Si4 C27 109.1(3) . . ?
C26 Si4 C27 106.9(3) . . ?
C1 N1 Si1 120.3(4) . . ?
C1 N1 Zr1 100.4(3) . . ?
Si1 N1 Zr1 138.9(2) . . ?
C2 N2 Si2 120.1(3) . . ?
C2 N2 Zr1 100.2(3) . . ?
Si2 N2 Zr1 138.4(3) . . ?
C15 N3 Si3 121.8(3) . . ?
C15 N3 Zr2 103.7(3) . . ?
Si3 N3 Zr2 133.0(3) . . ?
C16 N4 Si4 119.9(3) . . ?
C16 N4 Zr2 104.1(3) . . ?
Si4 N4 Zr2 135.5(2) . . ?
C29 N5 C30 106.9(4) . . ?
C29 N5 Zr1 113.7(3) . . ?
C30 N5 Zr1 107.6(3) . . ?
C29 N5 Zr2 108.2(3) . . ?
C30 N5 Zr2 118.2(3) . . ?
Zr1 N5 Zr2 102.4(2) . . ?
C32 N6 C31 107.5(4) . . ?
C32 N6 Zr2 119.3(3) . . ?
C31 N6 Zr2 102.1(3) . . ?
C32 N6 Zr1 109.7(3) . . ?
C31 N6 Zr1 113.4(3) . . ?
Zr2 N6 Zr1 104.9(2) . . ?
C34 N7 C33 111.2(5) . . ?
C34 N7 Zr1 117.9(4) . . ?
C33 N7 Zr1 130.9(4) . . ?
C36 N8 C35 109.4(4) . . ?
C36 N8 Zr2 133.3(4) . . ?
C35 N8 Zr2 117.2(4) . . ?
C6 C1 N1 123.4(5) . . ?
C6 C1 C2 119.6(5) . . ?
N1 C1 C2 117.1(5) . . ?
C6 C1 Zr1 151.4(3) . . ?
N1 C1 Zr1 49.3(2) . . ?
C2 C1 Zr1 74.8(3) . . ?
N2 C2 C3 124.3(5) . . ?
N2 C2 C1 118.1(4) . . ?
C3 C2 C1 117.6(5) . . ?
N2 C2 Zr1 49.5(2) . . ?
C3 C2 Zr1 152.2(4) . . ?
C1 C2 Zr1 75.0(3) . . ?
C4 C3 C2 121.5(5) . . ?
C3 C4 C5 120.9(5) . . ?
C4 C5 C6 119.4(5) . . ?
C5 C6 C1 121.0(5) . . ?
C10 C9 Si1 128.5(7) . . ?
C14 C13 Si2 126.1(5) . . ?
C20 C15 N3 124.8(5) . . ?
C20 C15 C16 117.9(5) . . ?
N3 C15 C16 117.3(5) . . ?
C20 C15 Zr2 152.8(4) . . ?
N3 C15 Zr2 47.2(2) . . ?
C16 C15 Zr2 75.5(3) . . ?
C17 C16 N4 124.1(5) . . ?
C17 C16 C15 119.1(5) . . ?
N4 C16 C15 116.8(5) . . ?
C17 C16 Zr2 155.0(4) . . ?
N4 C16 Zr2 46.5(2) . . ?
C15 C16 Zr2 75.0(3) . . ?
C18 C17 C16 120.8(5) . . ?
C17 C18 C19 120.4(5) . . ?
C18 C19 C20 120.5(6) . . ?
C19 C20 C15 121.1(5) . . ?
C24 C23 Si3 125.3(6) . . ?
C28 C27 Si4 125.5(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zr1 N7 2.021(5) . ?
Zr1 N1 2.112(4) . ?
Zr1 N2 2.116(4) . ?
Zr1 N5 2.276(4) . ?
Zr1 N6 2.304(4) . ?
Zr1 C2 2.739(5) . ?
Zr1 C1 2.742(5) . ?
Zr1 Zr2 3.621(2) . ?
Zr2 N8 2.024(4) . ?
Zr2 N4 2.102(4) . ?
Zr2 N3 2.120(4) . ?
Zr2 N6 2.263(4) . ?
Zr2 N5 2.369(4) . ?
Zr2 C15 2.806(5) . ?
Zr2 C16 2.813(5) . ?
Si1 N1 1.734(4) . ?
Si1 C7 1.862(7) . ?
Si1 C8 1.867(7) . ?
Si1 C9 1.882(7) . ?
Si2 N2 1.732(4) . ?
Si2 C12 1.856(7) . ?
Si2 C11 1.864(6) . ?
Si2 C13 1.873(6) . ?
Si3 N3 1.737(4) . ?
Si3 C21 1.864(6) . ?
Si3 C23 1.865(7) . ?
Si3 C22 1.877(7) . ?
Si4 N4 1.736(4) . ?
Si4 C25 1.853(6) . ?
Si4 C26 1.855(6) . ?
Si4 C27 1.884(6) . ?
N1 C1 1.409(7) . ?
N2 C2 1.405(7) . ?
N3 C15 1.404(7) . ?
N4 C16 1.425(7) . ?
N5 C29 1.478(7) . ?
N5 C30 1.479(7) . ?
N6 C32 1.472(7) . ?
N6 C31 1.477(7) . ?
N7 C34 1.449(7) . ?
N7 C33 1.458(7) . ?
N8 C36 1.456(7) . ?
N8 C35 1.474(7) . ?
C1 C6 1.400(8) . ?
C1 C2 1.426(7) . ?
C2 C3 1.409(7) . ?
C3 C4 1.376(9) . ?
C4 C5 1.382(9) . ?
C5 C6 1.391(8) . ?
C9 C10 1.288(10) . ?
C13 C14 1.300(9) . ?
C15 C20 1.405(8) . ?
C15 C16 1.432(8) . ?
C16 C17 1.408(8) . ?
C17 C18 1.374(8) . ?
C18 C19 1.374(9) . ?
C19 C20 1.386(9) . ?
C23 C24 1.314(11) . ?
C27 C28 1.281(9) . ?
