#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:50:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179157 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/18/4311878.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_4311878
loop_
_publ_author_name
'Xianghua Yu'
'Siwei Bi'
'Ilia A. Guzei'
'Zhenyang Lin'
'Zi-Ling Xue'
_publ_section_title
;
 Zirconium, Hafnium, and Tantalum Amide Silyl Complexes: Their Preparation
 and Conversion to Metallaheterocyclic Complexes via γ-Hydrogen
 Abstraction by Silyl Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7111
_journal_page_last               7119
_journal_paper_doi               10.1021/ic049023v
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C28 H82 N6 Si8 Zr2'
_chemical_formula_weight         910.13
_chemical_name_common            Zirconium
_chemical_name_systematic
; 
Zirconium Cyclic Amide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.425(10)
_cell_angle_beta                 99.529(10)
_cell_angle_gamma                105.110(10)
_cell_formula_units_Z            2
_cell_length_a                   10.172(6)
_cell_length_b                   14.421(9)
_cell_length_c                   18.947(12)
_cell_measurement_temperature    173(2)
_cell_volume                     2503(3)
_computing_cell_refinement       'SMART, Bruker (2000)'
_computing_data_collection       'SMART, Bruker (2000)'
_computing_data_reduction        'XPREP, Bruker (2000)'
_computing_molecular_graphics    'SHELXTL, Bruker (2000)'
_computing_publication_material  'SHELXTL, Bruker (2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.922
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       multi-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  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0567
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            27249
_diffrn_reflns_theta_full        28.61
_diffrn_reflns_theta_max         28.61
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    0.632
_exptl_absorpt_correction_T_max  0.9001
_exptl_absorpt_correction_T_min  0.8682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.668
_refine_diff_density_min         -0.400
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         11837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.096
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0450P)²+0.6347P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                8430
_reflns_number_total             11837
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049023vrom20040721_122018.cif
_cod_data_source_block           yc
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4311878
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zr1 Zr 0.75872(2) -0.118758(18) 0.240146(14) 0.01967(7) Uani 1 1 d . . .
Zr2 Zr 0.81879(3) 0.149868(18) 0.297938(14) 0.02110(7) Uani 1 1 d . . .
Si4 Si 0.60458(10) -0.30103(6) 0.31404(6) 0.0377(2) Uani 1 1 d . . .
Si5 Si 0.63240(7) 0.10117(5) 0.39422(4) 0.02300(16) Uani 1 1 d . . .
Si8 Si 0.98706(11) 0.32513(7) 0.22170(6) 0.0437(2) Uani 1 1 d . . .
Si1 Si 0.88056(9) -0.07689(6) 0.11799(5) 0.03236(19) Uani 1 1 d . . .
Si3 Si 0.43393(8) -0.25977(6) 0.18724(5) 0.0377(2) Uani 1 1 d . . .
Si2 Si 0.78026(10) -0.30656(6) 0.07958(5) 0.0357(2) Uani 1 1 d . . .
Si6 Si 0.71038(9) 0.33026(6) 0.42170(5) 0.0383(2) Uani 1 1 d . . .
Si7 Si 0.67176(10) 0.23147(7) 0.17373(5) 0.0422(2) Uani 1 1 d . . .
N2 N 0.5945(2) -0.24137(16) 0.24521(13) 0.0264(5) Uani 1 1 d . . .
N6 N 1.0112(2) 0.18215(17) 0.36631(14) 0.0299(5) Uani 1 1 d . . .
N3 N 0.9320(2) -0.10257(17) 0.31782(13) 0.0266(5) Uani 1 1 d . . .
N4 N 0.7178(2) 0.21034(16) 0.37747(13) 0.0246(5) Uani 1 1 d . . .
N1 N 0.8063(2) -0.18542(17) 0.13909(13) 0.0274(5) Uani 1 1 d . . .
N5 N 0.8322(3) 0.25007(17) 0.23294(14) 0.0323(5) Uani 1 1 d . . .
C15 C 0.6634(3) 0.0011(2) 0.31819(16) 0.0223(5) Uani 1 1 d . . .
C1 C 0.8291(4) 0.0188(2) 0.18605(17) 0.0300(6) Uani 1 1 d . . .
C16 C 0.7078(3) 0.0954(3) 0.48889(17) 0.0401(7) Uani 1 1 d . . .
H16A H 0.8101 0.1118 0.4976 0.060 Uiso 1 1 calc R . .
H16B H 0.6671 0.0268 0.4908 0.060 Uiso 1 1 calc R . .
H16C H 0.6858 0.1444 0.5281 0.060 Uiso 1 1 calc R . .
C14 C 0.9596(3) -0.0543(2) 0.39908(16) 0.0373(7) Uani 1 1 d . . .
H14A H 0.9547 -0.1058 0.4243 0.056 Uiso 1 1 calc R . .
H14B H 0.8890 -0.0211 0.4096 0.056 Uiso 1 1 calc R . .
H14C H 1.0536 -0.0036 0.4180 0.056 Uiso 1 1 calc R . .
C17 C 0.4394(3) 0.0784(2) 0.38385(18) 0.0348(7) Uani 1 1 d . . .
H17A H 0.4250 0.1305 0.4242 0.052 Uiso 1 1 calc R . .
H17B H 0.3954 0.0112 0.3873 0.052 Uiso 1 1 calc R . .
H17C H 0.3966 0.0815 0.3346 0.052 Uiso 1 1 calc R . .
C13 C 1.0461(3) -0.1424(2) 0.30119(18) 0.0382(7) Uani 1 1 d . . .
H13A H 1.1343 -0.0860 0.3159 0.057 Uiso 1 1 calc R . .
H13B H 1.0242 -0.1790 0.2469 0.057 Uiso 1 1 calc R . .
H13C H 1.0562 -0.1888 0.3297 0.057 Uiso 1 1 calc R . .
C5 C 0.7449(4) -0.4035(2) 0.1282(2) 0.0524(9) Uani 1 1 d . . .
H5A H 0.8266 -0.3883 0.1699 0.079 Uiso 1 1 calc R . .
H5B H 0.7273 -0.4709 0.0921 0.079 Uiso 1 1 calc R . .
H5C H 0.6621 -0.4024 0.1481 0.079 Uiso 1 1 calc R . .
C19 C 0.8471(3) 0.4322(2) 0.4059(2) 0.0457(8) Uani 1 1 d . . .
H19A H 0.9407 0.4291 0.4255 0.069 Uiso 1 1 calc R . .
H19B H 0.8408 0.4987 0.4323 0.069 Uiso 1 1 calc R . .
H19C H 0.8315 0.4223 0.3516 0.069 Uiso 1 1 calc R . .
C21 C 0.5298(3) 0.1318(2) 0.1901(2) 0.0444(8) Uani 1 1 d . . .
H21A H 0.5590 0.0716 0.1877 0.067 Uiso 1 1 calc R . .
H21B H 0.4424 0.1131 0.1511 0.067 Uiso 1 1 calc R . .
H21C H 0.5142 0.1588 0.2401 0.067 Uiso 1 1 calc R . .
C27 C 1.0608(3) 0.2409(3) 0.44658(18) 0.0446(8) Uani 1 1 d . . .
H27A H 1.0934 0.1999 0.4749 0.067 Uiso 1 1 calc R . .
H27B H 0.9836 0.2601 0.4646 0.067 Uiso 1 1 calc R . .
H27C H 1.1386 0.3023 0.4542 0.067 Uiso 1 1 calc R . .
C7 C 0.4606(4) -0.1715(2) 0.12971(19) 0.0495(9) Uani 1 1 d . . .
H7A H 0.4949 -0.1010 0.1635 0.074 Uiso 1 1 calc R . .
H7B H 0.3710 -0.1836 0.0945 0.074 Uiso 1 1 calc R . .
H7C H 0.5297 -0.1840 0.1011 0.074 Uiso 1 1 calc R . .
C28 C 1.1256(3) 0.1526(3) 0.3395(2) 0.0479(9) Uani 1 1 d . . .
H28A H 1.2013 0.2134 0.3437 0.072 Uiso 1 1 calc R . .
H28B H 1.0903 0.1089 0.2865 0.072 Uiso 1 1 calc R . .
H28C H 1.1618 0.1155 0.3703 0.072 Uiso 1 1 calc R . .
C11 C 0.7682(4) -0.3363(3) 0.3319(2) 0.0468(8) Uani 1 1 d . . .
H11A H 0.7693 -0.3875 0.2863 0.070 Uiso 1 1 calc R . .
H11B H 0.7704 -0.3640 0.3739 0.070 Uiso 1 1 calc R . .
H11C H 0.8507 -0.2758 0.3450 0.070 Uiso 1 1 calc R . .
C12 C 0.5990(4) -0.2163(3) 0.4068(2) 0.0528(9) Uani 1 1 d . . .
H12A H 0.6817 -0.1552 0.4249 0.079 Uiso 1 1 calc R . .
H12B H 0.5989 -0.2525 0.4439 0.079 Uiso 1 1 calc R . .
H12C H 0.5134 -0.1970 0.4002 0.079 Uiso 1 1 calc R . .
C2 C 1.0770(3) -0.0404(3) 0.1357(2) 0.0491(9) Uani 1 1 d . . .
H2A H 1.1179 -0.0361 0.1875 0.074 Uiso 1 1 calc R . .
H2B H 1.1138 0.0257 0.1289 0.074 Uiso 1 1 calc R . .
H2C H 1.1020 -0.0917 0.0999 0.074 Uiso 1 1 calc R . .
C3 C 0.8096(4) -0.0821(3) 0.01920(18) 0.0526(10) Uani 1 1 d . . .
H3A H 0.8345 -0.1337 -0.0163 0.079 Uiso 1 1 calc R . .
H3B H 0.8500 -0.0157 0.0135 0.079 Uiso 1 1 calc R . .
H3C H 0.7069 -0.0995 0.0085 0.079 Uiso 1 1 calc R . .
C4 C 0.9407(4) -0.3125(3) 0.0443(2) 0.0588(11) Uani 1 1 d . . .
H4A H 0.9628 -0.2627 0.0179 0.088 Uiso 1 1 calc R . .
H4B H 0.9228 -0.3808 0.0093 0.088 Uiso 1 1 calc R . .
H4C H 1.0205 -0.2972 0.0872 0.088 Uiso 1 1 calc R . .
C24 C 1.1245(4) 0.3913(3) 0.3121(2) 0.0606(11) Uani 1 1 d . . .
H24A H 1.1007 0.4481 0.3424 0.091 Uiso 1 1 calc R . .
H24B H 1.2157 0.4169 0.3014 0.091 Uiso 1 1 calc R . .
H24C H 1.1297 0.3436 0.3401 0.091 Uiso 1 1 calc R . .
C6 C 0.6318(4) -0.3426(3) -0.0051(2) 0.0580(10) Uani 1 1 d . . .
H6A H 0.5462 -0.3387 0.0111 0.087 Uiso 1 1 calc R . .
H6B H 0.6164 -0.4121 -0.0371 0.087 Uiso 1 1 calc R . .
H6C H 0.6547 -0.2959 -0.0339 0.087 Uiso 1 1 calc R . .
C18 C 0.7402(5) 0.3557(3) 0.5255(2) 0.0690(13) Uani 1 1 d . . .
H18A H 0.6632 0.3084 0.5358 0.104 Uiso 1 1 calc R . .
H18B H 0.7436 0.4256 0.5501 0.104 Uiso 1 1 calc R . .
H18C H 0.8296 0.3466 0.5453 0.104 Uiso 1 1 calc R . .
C9 C 0.3048(3) -0.2289(3) 0.2410(2) 0.0605(11) Uani 1 1 d . . .
H9A H 0.2817 -0.2768 0.2688 0.091 Uiso 1 1 calc R . .
H9B H 0.2190 -0.2341 0.2057 0.091 Uiso 1 1 calc R . .
H9C H 0.3457 -0.1597 0.2768 0.091 Uiso 1 1 calc R . .
C25 C 1.0649(4) 0.2476(3) 0.1555(2) 0.0644(11) Uani 1 1 d . . .
H25A H 1.0989 0.2023 0.1789 0.097 Uiso 1 1 calc R . .
H25B H 1.1437 0.2927 0.1447 0.097 Uiso 1 1 calc R . .
H25C H 0.9931 0.2069 0.1082 0.097 Uiso 1 1 calc R . .
C8 C 0.3468(4) -0.3903(3) 0.1165(2) 0.0646(12) Uani 1 1 d . . .
H8A H 0.4108 -0.4075 0.0856 0.097 Uiso 1 1 calc R . .
H8B H 0.2603 -0.3919 0.0838 0.097 Uiso 1 1 calc R . .
H8C H 0.3237 -0.4397 0.1431 0.097 Uiso 1 1 calc R . .
C23 C 0.6139(4) 0.3468(3) 0.1896(3) 0.0666(12) Uani 1 1 d . . .
H23A H 0.6318 0.3808 0.2440 0.100 Uiso 1 1 calc R . .
H23B H 0.5130 0.3264 0.1659 0.100 Uiso 1 1 calc R . .
H23C H 0.6665 0.3933 0.1670 0.100 Uiso 1 1 calc R . .
C20 C 0.5337(4) 0.3420(3) 0.3872(3) 0.0734(14) Uani 1 1 d . . .
H20A H 0.5082 0.3199 0.3318 0.110 Uiso 1 1 calc R . .
H20B H 0.5374 0.4129 0.4072 0.110 Uiso 1 1 calc R . .
H20C H 0.4630 0.2992 0.4046 0.110 Uiso 1 1 calc R . .
C10 C 0.4572(4) -0.4225(3) 0.2893(3) 0.0715(13) Uani 1 1 d . . .
H10A H 0.3670 -0.4097 0.2799 0.107 Uiso 1 1 calc R . .
H10B H 0.4648 -0.4500 0.3314 0.107 Uiso 1 1 calc R . .
H10C H 0.4626 -0.4717 0.2438 0.107 Uiso 1 1 calc R . .
C22 C 0.6695(5) 0.1823(4) 0.0716(2) 0.0738(13) Uani 1 1 d . . .
H22A H 0.7391 0.2327 0.0593 0.111 Uiso 1 1 calc R . .
H22B H 0.5757 0.1695 0.0402 0.111 Uiso 1 1 calc R . .
H22C H 0.6925 0.1189 0.0617 0.111 Uiso 1 1 calc R . .
C26 C 0.9607(5) 0.4278(3) 0.1825(3) 0.0844(15) Uani 1 1 d . . .
H26A H 0.8893 0.3971 0.1341 0.127 Uiso 1 1 calc R . .
H26B H 1.0497 0.4648 0.1747 0.127 Uiso 1 1 calc R . .
H26C H 0.9295 0.4749 0.2182 0.127 Uiso 1 1 calc R . .
H2 H 0.678(3) -0.040(2) 0.3461(17) 0.035(8) Uiso 1 1 d . . .
H4 H 0.900(3) 0.070(2) 0.1907(18) 0.044(10) Uiso 1 1 d . . .
H1 H 0.565(3) -0.030(2) 0.2809(17) 0.041(9) Uiso 1 1 d . . .
H3 H 0.745(4) 0.023(3) 0.151(2) 0.059(11) Uiso 1 1 d . . .
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
N3 Zr1 N1 101.47(10) . . ?
N3 Zr1 N2 106.75(10) . . ?
N1 Zr1 N2 101.65(9) . . ?
N3 Zr1 C15 99.57(10) . . ?
N1 Zr1 C15 152.42(9) . . ?
N2 Zr1 C15 89.05(9) . . ?
N3 Zr1 C1 105.47(11) . . ?
N1 Zr1 C1 74.43(10) . . ?
N2 Zr1 C1 147.66(10) . . ?
C15 Zr1 C1 82.92(10) . . ?
N6 Zr2 N4 99.92(10) . . ?
N6 Zr2 N5 108.78(10) . . ?
N4 Zr2 N5 101.91(10) . . ?
N6 Zr2 C1 100.27(11) . . ?
N4 Zr2 C1 153.25(10) . . ?
N5 Zr2 C1 87.96(11) . . ?
N6 Zr2 C15 106.29(10) . . ?
N4 Zr2 C15 74.90(9) . . ?
N5 Zr2 C15 144.78(9) . . ?
C1 Zr2 C15 82.71(10) . . ?
N2 Si4 C10 113.19(18) . . ?
N2 Si4 C11 113.99(13) . . ?
C10 Si4 C11 104.81(18) . . ?
N2 Si4 C12 110.60(14) . . ?
C10 Si4 C12 106.97(19) . . ?
C11 Si4 C12 106.78(17) . . ?
N4 Si5 C16 113.98(14) . . ?
N4 Si5 C17 113.75(12) . . ?
C16 Si5 C17 107.47(15) . . ?
N4 Si5 C15 101.35(12) . . ?
C16 Si5 C15 109.69(14) . . ?
C17 Si5 C15 110.49(13) . . ?
N5 Si8 C24 112.68(15) . . ?
N5 Si8 C25 111.44(15) . . ?
C24 Si8 C25 106.80(19) . . ?
N5 Si8 C26 113.12(17) . . ?
C24 Si8 C26 105.7(2) . . ?
C25 Si8 C26 106.6(2) . . ?
N1 Si1 C3 114.77(15) . . ?
N1 Si1 C1 100.76(13) . . ?
C3 Si1 C1 109.83(15) . . ?
N1 Si1 C2 113.36(14) . . ?
C3 Si1 C2 107.38(17) . . ?
C1 Si1 C2 110.63(16) . . ?
N2 Si3 C9 112.84(16) . . ?
N2 Si3 C8 115.45(15) . . ?
C9 Si3 C8 107.54(17) . . ?
N2 Si3 C7 108.47(14) . . ?
C9 Si3 C7 106.50(18) . . ?
C8 Si3 C7 105.43(19) . . ?
N1 Si2 C5 112.24(14) . . ?
N1 Si2 C6 110.66(14) . . ?
C5 Si2 C6 109.22(18) . . ?
N1 Si2 C4 110.67(15) . . ?
C5 Si2 C4 106.84(17) . . ?
C6 Si2 C4 107.01(19) . . ?
N4 Si6 C18 110.43(16) . . ?
N4 Si6 C19 111.73(13) . . ?
C18 Si6 C19 107.67(17) . . ?
N4 Si6 C20 111.58(14) . . ?
C18 Si6 C20 107.0(2) . . ?
C19 Si6 C20 108.26(18) . . ?
N5 Si7 C22 112.10(17) . . ?
N5 Si7 C23 114.29(16) . . ?
C22 Si7 C23 108.7(2) . . ?
N5 Si7 C21 109.51(14) . . ?
C22 Si7 C21 105.92(19) . . ?
C23 Si7 C21 105.82(18) . . ?
Si3 N2 Si4 120.32(13) . . ?
Si3 N2 Zr1 113.06(12) . . ?
Si4 N2 Zr1 125.18(13) . . ?
C27 N6 C28 109.5(2) . . ?
C27 N6 Zr2 127.08(19) . . ?
C28 N6 Zr2 123.3(2) . . ?
C14 N3 C13 109.6(2) . . ?
C14 N3 Zr1 125.36(17) . . ?
C13 N3 Zr1 124.97(19) . . ?
Si5 N4 Si6 124.59(14) . . ?
Si5 N4 Zr2 99.60(10) . . ?
Si6 N4 Zr2 135.81(13) . . ?
Si1 N1 Si2 122.75(14) . . ?
Si1 N1 Zr1 99.28(11) . . ?
Si2 N1 Zr1 137.82(14) . . ?
Si7 N5 Si8 119.96(15) . . ?
Si7 N5 Zr2 112.86(13) . . ?
Si8 N5 Zr2 125.85(13) . . ?
Si5 C15 Zr1 166.31(15) . . ?
Si5 C15 Zr2 83.15(10) . . ?
Zr1 C15 Zr2 93.01(10) . . ?
Si1 C1 Zr2 165.17(18) . . ?
Si1 C1 Zr1 83.65(12) . . ?
Zr2 C1 Zr1 93.11(11) . . ?
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 N3 2.018(2) . ?
Zr1 N1 2.096(2) . ?
Zr1 N2 2.128(2) . ?
Zr1 C15 2.471(3) . ?
Zr1 C1 2.467(3) . ?
Zr2 N6 2.022(2) . ?
Zr2 N4 2.090(2) . ?
Zr2 N5 2.127(2) . ?
Zr2 C1 2.474(3) . ?
Zr2 C15 2.474(3) . ?
Si4 N2 1.747(3) . ?
Si4 C10 1.870(4) . ?
Si4 C11 1.868(3) . ?
Si4 C12 1.874(4) . ?
Si5 N4 1.726(2) . ?
Si5 C16 1.863(3) . ?
Si5 C17 1.872(3) . ?
Si5 C15 1.881(3) . ?
Si8 N5 1.744(3) . ?
Si8 C24 1.854(4) . ?
Si8 C25 1.870(4) . ?
Si8 C26 1.882(4) . ?
Si1 N1 1.731(3) . ?
Si1 C3 1.866(4) . ?
Si1 C1 1.870(3) . ?
Si1 C2 1.876(4) . ?
Si3 N2 1.723(2) . ?
Si3 C9 1.862(3) . ?
Si3 C8 1.876(3) . ?
Si3 C7 1.881(4) . ?
Si2 N1 1.734(2) . ?
Si2 C5 1.861(4) . ?
Si2 C6 1.863(4) . ?
Si2 C4 1.877(4) . ?
Si6 N4 1.737(2) . ?
Si6 C18 1.858(4) . ?
Si6 C19 1.868(3) . ?
Si6 C20 1.875(4) . ?
Si7 N5 1.732(3) . ?
Si7 C22 1.870(4) . ?
Si7 C23 1.872(4) . ?
Si7 C21 1.885(4) . ?
N6 C27 1.457(4) . ?
N6 C28 1.460(4) . ?
N3 C14 1.456(4) . ?
N3 C13 1.466(3) . ?
