#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:50:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179157 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/18/4311879.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_4311879
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 Hf2 N6 Si8'
_chemical_formula_weight         1084.67
_chemical_name_systematic
; 
Hafnium amide cyclic complex
;
_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                105.330(6)
_cell_angle_beta                 99.331(6)
_cell_angle_gamma                105.157(6)
_cell_formula_units_Z            2
_cell_length_a                   10.151(4)
_cell_length_b                   14.368(5)
_cell_length_c                   18.921(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2488.3(16)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17207
_diffrn_reflns_theta_full        22.55
_diffrn_reflns_theta_max         22.55
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    4.386
_exptl_absorpt_correction_T_max  0.1492
_exptl_absorpt_correction_T_min  0.1101
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.70
_refine_diff_density_max         1.513
_refine_diff_density_min         -1.687
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.848
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         6503
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.848
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.433
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0463P)²+11.1190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0921
_reflns_number_gt                5135
_reflns_number_total             6503
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049023vrom20040721_122032.cif
_cod_data_source_block           hf45
_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_original_cell_volume        2488.2(16)
_cod_database_code               4311879
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
C1 C 0.6704(8) 0.9798(5) 0.8141(4) 0.0276(19) Uani 1 1 d . . .
C2 C 0.6895(11) 1.0815(7) 0.9799(5) 0.053(3) Uani 1 1 d . . .
H2A H 0.7891 1.0929 0.9886 0.080 Uiso 1 1 calc R . .
H2B H 0.6441 1.0182 0.9868 0.080 Uiso 1 1 calc R . .
H2C H 0.6722 1.1361 1.0150 0.080 Uiso 1 1 calc R . .
C3 C 0.4223(9) 1.0394(6) 0.8638(6) 0.047(2) Uani 1 1 d . . .
H3A H 0.3973 1.0857 0.9019 0.070 Uiso 1 1 calc R . .
H3B H 0.3859 0.9715 0.8655 0.070 Uiso 1 1 calc R . .
H3C H 0.3830 1.0418 0.8149 0.070 Uiso 1 1 calc R . .
C4 C 0.5584(11) 1.3124(7) 0.9539(6) 0.058(3) Uani 1 1 d . . .
H4A H 0.4807 1.2961 0.9114 0.087 Uiso 1 1 calc R . .
H4B H 0.5746 1.3797 0.9872 0.087 Uiso 1 1 calc R . .
H4C H 0.5369 1.2642 0.9805 0.087 Uiso 1 1 calc R . .
C5 C 0.8689(11) 1.3425(7) 1.0052(6) 0.063(3) Uani 1 1 d . . .
H5A H 0.8435 1.2989 1.0348 0.095 Uiso 1 1 calc R . .
H5B H 0.8872 1.4120 1.0351 0.095 Uiso 1 1 calc R . .
H5C H 0.9518 1.3350 0.9894 0.095 Uiso 1 1 calc R . .
C6 C 0.7571(11) 1.4048(6) 0.8712(5) 0.051(3) Uani 1 1 d . . .
H6A H 0.8353 1.4011 0.8493 0.076 Uiso 1 1 calc R . .
H6B H 0.7794 1.4713 0.9073 0.076 Uiso 1 1 calc R . .
H6C H 0.6754 1.3925 0.8321 0.076 Uiso 1 1 calc R . .
C7 C 0.7317(10) 1.3363(6) 0.6686(6) 0.049(3) Uani 1 1 d . . .
H7A H 0.6506 1.2787 0.6605 0.074 Uiso 1 1 calc R . .
H7B H 0.7256 1.3577 0.6245 0.074 Uiso 1 1 calc R . .
H7C H 0.7350 1.3911 0.7115 0.074 Uiso 1 1 calc R . .
C8 C 0.9007(11) 1.2155(7) 0.5936(6) 0.052(3) Uani 1 1 d . . .
H8A H 0.9806 1.1920 0.6007 0.078 Uiso 1 1 calc R . .
H8B H 0.9083 1.2530 0.5585 0.078 Uiso 1 1 calc R . .
H8C H 0.8159 1.1581 0.5741 0.078 Uiso 1 1 calc R . .
C9 C 1.0436(11) 1.4215(7) 0.7115(7) 0.074(4) Uani 1 1 d . . .
H9A H 1.0475 1.4652 0.7605 0.111 Uiso 1 1 calc R . .
H9B H 1.0285 1.4547 0.6745 0.111 Uiso 1 1 calc R . .
H9C H 1.1308 1.4069 0.7125 0.111 Uiso 1 1 calc R . .
C10 C 1.1946(9) 1.2277(7) 0.7594(6) 0.060(3) Uani 1 1 d . . .
H10A H 1.1585 1.1575 0.7282 0.090 Uiso 1 1 calc R . .
H10B H 1.2820 1.2394 0.7941 0.090 Uiso 1 1 calc R . .
H10C H 1.2100 1.2702 0.7280 0.090 Uiso 1 1 calc R . .
C11 C 1.1528(10) 1.3891(6) 0.8840(6) 0.060(3) Uani 1 1 d . . .
H11A H 1.1890 1.4359 0.8584 0.090 Uiso 1 1 calc R . .
H11B H 1.2288 1.3876 0.9207 0.090 Uiso 1 1 calc R . .
H11C H 1.0855 1.4105 0.9089 0.090 Uiso 1 1 calc R . .
C12 C 1.0388(9) 1.1700(6) 0.8707(5) 0.046(2) Uani 1 1 d . . .
H12A H 0.9796 1.1873 0.9033 0.069 Uiso 1 1 calc R . .
H12B H 1.1284 1.1762 0.9006 0.069 Uiso 1 1 calc R . .
H12C H 0.9949 1.1012 0.8374 0.069 Uiso 1 1 calc R . .
C13 C 0.5389(9) 1.0538(6) 0.6008(4) 0.035(2) Uani 1 1 d . . .
H13A H 0.4461 1.0047 0.5833 0.053 Uiso 1 1 calc R . .
H13B H 0.6068 1.0203 0.5893 0.053 Uiso 1 1 calc R . .
H13C H 0.5434 1.1046 0.5761 0.053 Uiso 1 1 calc R . .
C14 C 0.4556(8) 1.1438(6) 0.6994(5) 0.038(2) Uani 1 1 d . . .
H14A H 0.4446 1.1881 0.6704 0.057 Uiso 1 1 calc R . .
H14B H 0.4792 1.1815 0.7524 0.057 Uiso 1 1 calc R . .
H14C H 0.3690 1.0889 0.6869 0.057 Uiso 1 1 calc R . .
C15 C 0.8374(8) 0.9988(5) 0.6820(4) 0.0230(18) Uani 1 1 d . . .
C16 C 1.0590(8) 0.9221(6) 0.6164(5) 0.033(2) Uani 1 1 d . . .
H16A H 1.0996 0.9153 0.6635 0.049 Uiso 1 1 calc R . .
H16B H 1.1026 0.9897 0.6159 0.049 Uiso 1 1 calc R . .
H16C H 1.0741 0.8735 0.5753 0.049 Uiso 1 1 calc R . .
C17 C 0.7914(9) 0.9043(6) 0.5114(5) 0.037(2) Uani 1 1 d . . .
H17A H 0.8131 0.8562 0.4729 0.056 Uiso 1 1 calc R . .
H17B H 0.8311 0.9717 0.5095 0.056 Uiso 1 1 calc R . .
H17C H 0.6910 0.8879 0.5031 0.056 Uiso 1 1 calc R . .
C18 C 0.7572(12) 0.6432(7) 0.4754(6) 0.067(3) Uani 1 1 d . . .
H18A H 0.6648 0.6449 0.4557 0.101 Uiso 1 1 calc R . .
H18B H 0.7638 0.5772 0.4519 0.101 Uiso 1 1 calc R . .
H18C H 0.8265 0.6941 0.4649 0.101 Uiso 1 1 calc R . .
C19 C 0.9659(10) 0.6596(7) 0.6146(7) 0.078(4) Uani 1 1 d . . .
H19A H 1.0340 0.6983 0.5947 0.117 Uiso 1 1 calc R . .
H19B H 0.9621 0.5895 0.5984 0.117 Uiso 1 1 calc R . .
H19C H 0.9927 0.6860 0.6688 0.117 Uiso 1 1 calc R . .
C20 C 0.6517(9) 0.5662(5) 0.5940(5) 0.045(2) Uani 1 1 d . . .
H20A H 0.6577 0.5803 0.6471 0.068 Uiso 1 1 calc R . .
H20B H 0.6668 0.5021 0.5740 0.068 Uiso 1 1 calc R . .
H20C H 0.5601 0.5630 0.5684 0.068 Uiso 1 1 calc R . .
C21 C 0.5401(13) 0.5736(8) 0.8172(8) 0.085(4) Uani 1 1 d . . .
H21A H 0.5740 0.5288 0.7828 0.127 Uiso 1 1 calc R . .
H21B H 0.4519 0.5355 0.8232 0.127 Uiso 1 1 calc R . .
H21C H 0.6075 0.6035 0.8654 0.127 Uiso 1 1 calc R . .
C22 C 0.3764(10) 0.6104(7) 0.6883(6) 0.061(3) Uani 1 1 d . . .
H22A H 0.3823 0.6536 0.6571 0.092 Uiso 1 1 calc R . .
H22B H 0.2851 0.5957 0.6988 0.092 Uiso 1 1 calc R . .
H22C H 0.3904 0.5481 0.6623 0.092 Uiso 1 1 calc R . .
C23 C 0.4358(11) 0.7536(7) 0.8448(6) 0.067(3) Uani 1 1 d . . .
H23A H 0.5036 0.7888 0.8926 0.100 Uiso 1 1 calc R . .
H23B H 0.3536 0.7095 0.8520 0.100 Uiso 1 1 calc R . .
H23C H 0.4100 0.8022 0.8239 0.100 Uiso 1 1 calc R . .
C24 C 0.8887(11) 0.6552(7) 0.8097(7) 0.067(3) Uani 1 1 d . . .
H24A H 0.8359 0.6082 0.8306 0.100 Uiso 1 1 calc R . .
H24B H 0.9872 0.6754 0.8338 0.100 Uiso 1 1 calc R . .
H24C H 0.8736 0.6231 0.7564 0.100 Uiso 1 1 calc R . .
C25 C 0.9715(9) 0.8679(6) 0.8091(6) 0.046(2) Uani 1 1 d . . .
H25A H 0.9877 0.8405 0.7604 0.068 Uiso 1 1 calc R . .
H25B H 1.0566 0.8865 0.8477 0.068 Uiso 1 1 calc R . .
H25C H 0.9435 0.9271 0.8106 0.068 Uiso 1 1 calc R . .
C26 C 0.8320(12) 0.8188(8) 0.9279(6) 0.071(3) Uani 1 1 d . . .
H26A H 0.8041 0.8789 0.9373 0.106 Uiso 1 1 calc R . .
H26B H 0.9254 0.8349 0.9583 0.106 Uiso 1 1 calc R . .
H26C H 0.7677 0.7676 0.9408 0.106 Uiso 1 1 calc R . .
C27 C 0.3735(9) 0.8482(7) 0.6598(6) 0.048(3) Uani 1 1 d . . .
H27A H 0.3385 0.8838 0.6287 0.073 Uiso 1 1 calc R . .
H27B H 0.4067 0.8919 0.7115 0.073 Uiso 1 1 calc R . .
H27C H 0.2992 0.7884 0.6560 0.073 Uiso 1 1 calc R . .
C28 C 0.4397(9) 0.7583(7) 0.5537(5) 0.045(2) Uani 1 1 d . . .
H28A H 0.3643 0.6977 0.5468 0.067 Uiso 1 1 calc R . .
H28B H 0.5158 0.7401 0.5359 0.067 Uiso 1 1 calc R . .
H28C H 0.4065 0.7979 0.5257 0.067 Uiso 1 1 calc R . .
Hf1 Hf 0.73992(3) 1.11703(2) 0.759446(18) 0.02152(12) Uani 1 1 d . . .
Hf2 Hf 0.68131(3) 0.85143(2) 0.702227(18) 0.02263(12) Uani 1 1 d . . .
N1 N 0.6935(6) 1.1840(4) 0.8597(4) 0.0262(15) Uani 1 1 d . . .
N2 N 0.9028(6) 1.2394(4) 0.7541(4) 0.0249(15) Uani 1 1 d . . .
N3 N 0.5695(6) 1.1021(5) 0.6820(4) 0.0277(15) Uani 1 1 d . . .
N4 N 0.7822(6) 0.7900(4) 0.6236(4) 0.0241(15) Uani 1 1 d . . .
N5 N 0.6691(7) 0.7515(4) 0.7662(4) 0.0327(17) Uani 1 1 d . . .
N6 N 0.4895(6) 0.8184(5) 0.6343(4) 0.0289(16) Uani 1 1 d . . .
Si1 Si 0.6179(2) 1.07664(16) 0.88135(13) 0.0320(6) Uani 1 1 d . . .
Si2 Si 0.7203(3) 1.30674(16) 0.91972(14) 0.0357(6) Uani 1 1 d . . .
Si3 Si 0.8951(3) 1.29977(16) 0.68624(16) 0.0380(6) Uani 1 1 d . . .
Si4 Si 1.0649(2) 1.25858(16) 0.81338(15) 0.0383(6) Uani 1 1 d . . .
Si5 Si 0.8665(2) 0.89830(14) 0.60559(12) 0.0231(5) Uani 1 1 d . . .
Si6 Si 0.7889(2) 0.66932(16) 0.57913(15) 0.0377(6) Uani 1 1 d . . .
Si7 Si 0.5143(3) 0.67615(17) 0.77853(16) 0.0425(7) Uani 1 1 d . . .
Si8 Si 0.8293(3) 0.77014(18) 0.82589(16) 0.0427(6) Uani 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'
Hf Hf -0.5830 6.1852 '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
Si1 C1 Hf2 164.3(4) . . ?
Si1 C1 Hf1 83.1(3) . . ?
Hf2 C1 Hf1 92.1(2) . . ?
Si5 C15 Hf2 83.2(3) . . ?
Si5 C15 Hf1 165.3(4) . . ?
Hf2 C15 Hf1 92.1(2) . . ?
N3 Hf1 N1 102.0(2) . . ?
N3 Hf1 N2 106.0(2) . . ?
N1 Hf1 N2 101.2(2) . . ?
N3 Hf1 C15 99.7(3) . . ?
N1 Hf1 C15 152.6(2) . . ?
N2 Hf1 C15 88.7(2) . . ?
N3 Hf1 C1 106.3(3) . . ?
N1 Hf1 C1 74.6(2) . . ?
N2 Hf1 C1 147.6(3) . . ?
C15 Hf1 C1 83.3(2) . . ?
N6 Hf2 N4 100.0(2) . . ?
N6 Hf2 N5 108.7(3) . . ?
N4 Hf2 N5 100.8(2) . . ?
N6 Hf2 C15 107.0(3) . . ?
N4 Hf2 C15 75.1(2) . . ?
N5 Hf2 C15 144.2(3) . . ?
N6 Hf2 C1 100.7(3) . . ?
N4 Hf2 C1 153.8(2) . . ?
N5 Hf2 C1 87.5(2) . . ?
C15 Hf2 C1 83.6(2) . . ?
Si1 N1 Si2 122.2(4) . . ?
Si1 N1 Hf1 99.6(3) . . ?
Si2 N1 Hf1 138.0(3) . . ?
Si3 N2 Si4 119.8(3) . . ?
Si3 N2 Hf1 126.0(3) . . ?
Si4 N2 Hf1 112.9(3) . . ?
C13 N3 C14 108.8(6) . . ?
C13 N3 Hf1 127.0(5) . . ?
C14 N3 Hf1 124.2(5) . . ?
Si5 N4 Si6 124.3(4) . . ?
Si5 N4 Hf2 99.4(3) . . ?
Si6 N4 Hf2 136.3(3) . . ?
Si8 N5 Si7 119.2(4) . . ?
Si8 N5 Hf2 113.3(3) . . ?
Si7 N5 Hf2 125.9(4) . . ?
C28 N6 C27 108.7(6) . . ?
C28 N6 Hf2 127.1(5) . . ?
C27 N6 Hf2 124.2(6) . . ?
N1 Si1 C1 100.6(3) . . ?
N1 Si1 C2 114.8(4) . . ?
C1 Si1 C2 108.9(4) . . ?
N1 Si1 C3 114.3(4) . . ?
C1 Si1 C3 110.5(4) . . ?
C2 Si1 C3 107.6(4) . . ?
N1 Si2 C5 110.8(4) . . ?
N1 Si2 C6 112.5(4) . . ?
C5 Si2 C6 109.2(5) . . ?
N1 Si2 C4 110.1(4) . . ?
C5 Si2 C4 107.4(5) . . ?
C6 Si2 C4 106.6(4) . . ?
N2 Si3 C9 113.3(5) . . ?
N2 Si3 C8 110.6(3) . . ?
C9 Si3 C8 107.2(5) . . ?
N2 Si3 C7 113.7(4) . . ?
C9 Si3 C7 104.7(4) . . ?
C8 Si3 C7 106.8(5) . . ?
N2 Si4 C10 112.3(4) . . ?
N2 Si4 C11 116.1(4) . . ?
C10 Si4 C11 107.3(4) . . ?
N2 Si4 C12 108.7(4) . . ?
C10 Si4 C12 106.2(4) . . ?
C11 Si4 C12 105.5(5) . . ?
N4 Si5 C17 114.6(4) . . ?
N4 Si5 C16 113.8(3) . . ?
C17 Si5 C16 107.8(4) . . ?
N4 Si5 C15 101.0(3) . . ?
C17 Si5 C15 110.1(3) . . ?
C16 Si5 C15 109.3(4) . . ?
N4 Si6 C18 110.6(4) . . ?
N4 Si6 C19 110.4(4) . . ?
C18 Si6 C19 108.1(5) . . ?
N4 Si6 C20 112.4(3) . . ?
C18 Si6 C20 106.4(4) . . ?
C19 Si6 C20 108.7(5) . . ?
N5 Si7 C22 112.2(4) . . ?
N5 Si7 C23 111.7(4) . . ?
C22 Si7 C23 106.5(5) . . ?
N5 Si7 C21 113.5(4) . . ?
C22 Si7 C21 105.8(5) . . ?
C23 Si7 C21 106.6(5) . . ?
N5 Si8 C26 112.8(4) . . ?
N5 Si8 C25 109.7(4) . . ?
C26 Si8 C25 106.3(5) . . ?
N5 Si8 C24 114.4(4) . . ?
C26 Si8 C24 108.7(5) . . ?
C25 Si8 C24 104.5(4) . . ?
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
C1 Si1 1.874(7) . ?
C1 Hf2 2.452(7) . ?
C1 Hf1 2.458(7) . ?
C2 Si1 1.864(10) . ?
C3 Si1 1.864(8) . ?
C4 Si2 1.874(9) . ?
C5 Si2 1.875(10) . ?
C6 Si2 1.868(9) . ?
C7 Si3 1.873(8) . ?
C8 Si3 1.867(9) . ?
C9 Si3 1.872(10) . ?
C10 Si4 1.864(8) . ?
C11 Si4 1.873(9) . ?
C12 Si4 1.874(9) . ?
C13 N3 1.452(10) . ?
C14 N3 1.479(9) . ?
C15 Si5 1.876(7) . ?
C15 Hf2 2.451(7) . ?
C15 Hf1 2.459(6) . ?
C16 Si5 1.860(7) . ?
C17 Si5 1.854(8) . ?
C18 Si6 1.855(11) . ?
C19 Si6 1.868(9) . ?
C20 Si6 1.866(8) . ?
C21 Si7 1.867(9) . ?
C22 Si7 1.857(11) . ?
C23 Si7 1.869(9) . ?
C24 Si8 1.870(8) . ?
C25 Si8 1.866(9) . ?
C26 Si8 1.865(11) . ?
C27 N6 1.463(9) . ?
C28 N6 1.467(10) . ?
Hf1 N3 2.001(6) . ?
Hf1 N1 2.075(6) . ?
Hf1 N2 2.112(6) . ?
Hf2 N6 2.012(6) . ?
Hf2 N4 2.077(6) . ?
Hf2 N5 2.102(6) . ?
N1 Si1 1.718(6) . ?
N1 Si2 1.751(6) . ?
N2 Si3 1.733(6) . ?
N2 Si4 1.744(7) . ?
N4 Si5 1.718(6) . ?
N4 Si6 1.740(6) . ?
N5 Si8 1.734(7) . ?
N5 Si7 1.748(7) . ?
