#------------------------------------------------------------------------------
#$Date: 2021-08-30 09:29:47 +0300 (Mon, 30 Aug 2021) $
#$Revision: 268283 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/05/4350518.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_4350518
loop_
_publ_author_name
'Milanov, Andrian'
'Bhakta, Raghunandan'
'Baunemann, Arne'
'Becker, Hans-Werner'
'Thomas, Reji'
'Ehrhart, Peter'
'Winter, Manuela'
'Devi, Anjana'
_publ_section_title
;
 Guanidinate-stabilized monomeric hafnium amide complexes as promising
 precursors for MOCVD of HfO2.
;
_journal_issue                   26
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11008
_journal_page_last               11018
_journal_paper_doi               10.1021/ic061056i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C24 H56.66667 Hf N8'
_chemical_formula_weight         635.93
_chemical_name_systematic
; 
bis-(dimethylamido)-bis-(N,N-diisopropyl-2-dimethylamido-guanidinato) 
hafnium(IV)
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_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                 116.313(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   19.8714(13)
_cell_length_b                   29.6787(13)
_cell_length_c                   17.5709(8)
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.66
_cell_volume                     9288.9(10)
_computing_cell_refinement       'CrysAlis RED 1.171.13, Oxford Diffraction'
_computing_data_collection       'CrysAlis CCD 1.171.13, Oxford Diffraction'
_computing_data_reduction        'CrysAlis RED 1.171.13, Oxford Diffraction'
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      105(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Sapphire2-CCD, Oxford Diffraction'
_diffrn_measurement_method       '1109 images at 1.0 deg. in ω and 25 sec.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1018
_diffrn_reflns_av_sigmaI/netI    0.1372
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            59725
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    3.394
_exptl_absorpt_correction_T_max  0.762
_exptl_absorpt_correction_T_min  0.610
_exptl_absorpt_correction_type   'numeric analytical'
_exptl_absorpt_process_details   'Gaussian face-indexed'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3944
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.069
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.885
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         10215
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.889
_refine_ls_R_factor_all          0.1006
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0618
_reflns_number_gt                7111
_reflns_number_total             10215
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061056isi20060613_055714.cif
_cod_data_source_block           cvd62
_cod_depositor_comments
;

2021-08-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C72 H170 Hf3 N24'
_cod_original_formula_weight         1907.79
_cod_original_formula_units_Z            4
_cod_original_cell_volume        9288.9(8)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4350518
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
Hf1 Hf 0.239243(13) 0.059311(7) 0.026632(15) 0.01363(6) Uani 1 1 d .
Hf2 Hf 0.5000 0.236175(10) 0.7500 0.01536(8) Uani 1 2 d S
N13 N 0.1915(2) 0.05277(14) -0.1175(3) 0.0165(10) Uani 1 1 d .
N11 N 0.2269(2) 0.11854(13) -0.0544(3) 0.0160(10) Uani 1 1 d .
N14 N 0.3601(2) 0.04573(13) 0.0456(3) 0.0150(10) Uani 1 1 d .
N12 N 0.1704(3) 0.11804(16) -0.2063(3) 0.0251(12) Uani 1 1 d .
N15 N 0.4111(3) -0.02974(14) 0.0761(3) 0.0226(11) Uani 1 1 d .
N16 N 0.2862(2) -0.00939(13) 0.0500(3) 0.0161(10) Uani 1 1 d .
N17 N 0.1329(3) 0.05003(14) 0.0199(3) 0.0196(11) Uani 1 1 d .
N18 N 0.2772(2) 0.08788(14) 0.1463(3) 0.0179(10) Uani 1 1 d .
C132 C 0.2455(3) -0.01393(18) -0.1551(4) 0.0271(14) Uani 1 1 d .
H13A H 0.2921 0.0026 -0.1420 0.041 Uiso 1 1 calc R
H13B H 0.2367 -0.0359 -0.2003 0.041 Uiso 1 1 calc R
H13C H 0.2499 -0.0298 -0.1042 0.041 Uiso 1 1 calc R
C13 C 0.1801(3) 0.01905(18) -0.1844(4) 0.0212(13) Uani 1 1 d .
H13G H 0.1770 0.0353 -0.2358 0.025 Uiso 1 1 calc R
C131 C 0.1068(3) -0.0065(2) -0.2087(4) 0.0324(15) Uani 1 1 d .
H13D H 0.1071 -0.0203 -0.1579 0.049 Uiso 1 1 calc R
H13E H 0.1018 -0.0301 -0.2500 0.049 Uiso 1 1 calc R
H13F H 0.0644 0.0144 -0.2339 0.049 Uiso 1 1 calc R
C122 C 0.2163(3) 0.15130(18) -0.2233(4) 0.0279(15) Uani 1 1 d .
H12A H 0.2649 0.1543 -0.1733 0.042 Uiso 1 1 calc R
H12B H 0.1906 0.1805 -0.2362 0.042 Uiso 1 1 calc R
H12C H 0.2243 0.1414 -0.2719 0.042 Uiso 1 1 calc R
C11 C 0.2126(3) 0.16652(17) -0.0468(4) 0.0236(14) Uani 1 1 d .
H11G H 0.2097 0.1823 -0.0984 0.028 Uiso 1 1 calc R
C142 C 0.4662(3) 0.09815(19) 0.0974(4) 0.0278(15) Uani 1 1 d .
H14A H 0.4339 0.1233 0.0965 0.042 Uiso 1 1 calc R
H14B H 0.5078 0.1095 0.0873 0.042 Uiso 1 1 calc R
H14C H 0.4862 0.0833 0.1529 0.042 Uiso 1 1 calc R
C16 C 0.2757(3) -0.04928(16) 0.0938(4) 0.0212(14) Uani 1 1 d .
H16G H 0.3092 -0.0739 0.0918 0.025 Uiso 1 1 calc R
C12 C 0.1964(3) 0.09638(18) -0.1281(3) 0.0170(13) Uani 1 1 d .
C151 C 0.4886(3) -0.02114(19) 0.1354(4) 0.0296(15) Uani 1 1 d .
H15A H 0.4914 0.0062 0.1679 0.044 Uiso 1 1 calc R
H15B H 0.5186 -0.0171 0.1042 0.044 Uiso 1 1 calc R
H15C H 0.5083 -0.0467 0.1744 0.044 Uiso 1 1 calc R
C161 C 0.2968(3) -0.03857(18) 0.1868(4) 0.0305(15) Uani 1 1 d .
H16A H 0.3495 -0.0292 0.2155 0.046 Uiso 1 1 calc R
H16B H 0.2897 -0.0655 0.2147 0.046 Uiso 1 1 calc R
H16C H 0.2648 -0.0142 0.1898 0.046 Uiso 1 1 calc R
C14 C 0.4206(3) 0.06450(18) 0.0284(3) 0.0198(12) Uani 1 1 d .
H14G H 0.4543 0.0395 0.0282 0.024 Uiso 1 1 calc R
C141 C 0.3884(3) 0.08803(18) -0.0574(3) 0.0231(13) Uani 1 1 d .
H14D H 0.3570 0.0668 -0.1017 0.035 Uiso 1 1 calc R
H14E H 0.4295 0.0986 -0.0692 0.035 Uiso 1 1 calc R
H14F H 0.3578 0.1138 -0.0565 0.035 Uiso 1 1 calc R
C15 C 0.3549(3) 0.00206(18) 0.0582(3) 0.0190(12) Uani 1 1 d .
C111 C 0.1388(3) 0.17378(19) -0.0429(4) 0.0345(16) Uani 1 1 d .
H11A H 0.0973 0.1641 -0.0965 0.052 Uiso 1 1 calc R
H11B H 0.1330 0.2058 -0.0336 0.052 Uiso 1 1 calc R
H11C H 0.1383 0.1561 0.0040 0.052 Uiso 1 1 calc R
C112 C 0.2794(3) 0.18603(19) 0.0306(4) 0.0333(16) Uani 1 1 d .
H11D H 0.2903 0.1669 0.0802 0.050 Uiso 1 1 calc R
H11E H 0.2671 0.2165 0.0419 0.050 Uiso 1 1 calc R
H11F H 0.3234 0.1872 0.0193 0.050 Uiso 1 1 calc R
C121 C 0.1005(3) 0.1063(2) -0.2776(4) 0.0320(15) Uani 1 1 d .
H12D H 0.1108 0.0918 -0.3215 0.048 Uiso 1 1 calc R
H12E H 0.0708 0.1336 -0.3009 0.048 Uiso 1 1 calc R
H12F H 0.0725 0.0855 -0.2590 0.048 Uiso 1 1 calc R
C172 C 0.1161(3) 0.03794(19) 0.0899(4) 0.0270(14) Uani 1 1 d .
H17A H 0.0823 0.0605 0.0951 0.040 Uiso 1 1 calc R
H17B H 0.1627 0.0368 0.1428 0.040 Uiso 1 1 calc R
H17C H 0.0918 0.0083 0.0790 0.040 Uiso 1 1 calc R
C171 C 0.0627(3) 0.0518(2) -0.0568(4) 0.0326(15) Uani 1 1 d .
H17D H 0.0401 0.0217 -0.0694 0.049 Uiso 1 1 calc R
H17E H 0.0722 0.0621 -0.1042 0.049 Uiso 1 1 calc R
H17F H 0.0284 0.0728 -0.0488 0.049 Uiso 1 1 calc R
C182 C 0.3543(3) 0.0846(2) 0.2136(4) 0.0271(14) Uani 1 1 d .
H18A H 0.3775 0.1145 0.2249 0.041 Uiso 1 1 calc R
H18B H 0.3833 0.0642 0.1955 0.041 Uiso 1 1 calc R
H18C H 0.3537 0.0729 0.2654 0.041 Uiso 1 1 calc R
C181 C 0.2358(3) 0.11737(17) 0.1770(4) 0.0243(14) Uani 1 1 d .
H18D H 0.2381 0.1052 0.2300 0.036 Uiso 1 1 calc R
H18E H 0.1833 0.1192 0.1343 0.036 Uiso 1 1 calc R
H18F H 0.2582 0.1475 0.1875 0.036 Uiso 1 1 calc R
C162 C 0.1947(3) -0.06465(19) 0.0459(4) 0.0375(17) Uani 1 1 d .
H16D H 0.1611 -0.0390 0.0375 0.056 Uiso 1 1 calc R
H16E H 0.1844 -0.0880 0.0786 0.056 Uiso 1 1 calc R
H16F H 0.1863 -0.0769 -0.0095 0.056 Uiso 1 1 calc R
N22 N 0.4269(3) 0.31045(15) 0.5327(3) 0.0250(12) Uani 1 1 d .
N24 N 0.4181(3) 0.18634(14) 0.7074(3) 0.0209(11) Uani 1 1 d .
N21 N 0.4190(3) 0.28797(14) 0.6605(3) 0.0210(11) Uani 1 1 d .
C242 C 0.3446(3) 0.18991(19) 0.6345(4) 0.0331(15) Uani 1 1 d .
H24A H 0.3377 0.1648 0.5955 0.050 Uiso 1 1 calc R
H24B H 0.3412 0.2185 0.6052 0.050 Uiso 1 1 calc R
H24C H 0.3053 0.1888 0.6540 0.050 Uiso 1 1 calc R
C213 C 0.3949(3) 0.3519(2) 0.7350(4) 0.0390(17) Uani 1 1 d .
H21A H 0.3985 0.3327 0.7820 0.059 Uiso 1 1 calc R
H21B H 0.3605 0.3769 0.7279 0.059 Uiso 1 1 calc R
H21C H 0.4447 0.3638 0.7475 0.059 Uiso 1 1 calc R
C21 C 0.3660(3) 0.32461(19) 0.6546(4) 0.0275(15) Uani 1 1 d .
H21M H 0.3610 0.3451 0.6073 0.033 Uiso 1 1 calc R
C241 C 0.4205(3) 0.14327(18) 0.7487(4) 0.0264(14) Uani 1 1 d .
H24D H 0.3808 0.1425 0.7675 0.040 Uiso 1 1 calc R
H24E H 0.4695 0.1397 0.7979 0.040 Uiso 1 1 calc R
H24F H 0.4127 0.1187 0.7085 0.040 Uiso 1 1 calc R
C22 C 0.4525(3) 0.28731(17) 0.6092(4) 0.0194(13) Uani 1 1 d .
C221 C 0.3494(3) 0.30920(19) 0.4709(4) 0.0325(15) Uani 1 1 d .
H22A H 0.3221 0.2876 0.4891 0.049 Uiso 1 1 calc R
H22B H 0.3460 0.2999 0.4158 0.049 Uiso 1 1 calc R
H22C H 0.3272 0.3392 0.4658 0.049 Uiso 1 1 calc R
C212 C 0.2884(3) 0.3059(2) 0.6340(5) 0.0423(18) Uani 1 1 d .
H21D H 0.2678 0.2911 0.5784 0.063 Uiso 1 1 calc R
H21E H 0.2552 0.3305 0.6329 0.063 Uiso 1 1 calc R
H21F H 0.2924 0.2839 0.6775 0.063 Uiso 1 1 calc R
C152 C 0.3979(3) -0.07168(17) 0.0289(4) 0.0281(15) Uani 1 1 d .
H15D H 0.4143 -0.0971 0.0686 0.042 Uiso 1 1 calc R
H15E H 0.4262 -0.0716 -0.0047 0.042 Uiso 1 1 calc R
H15F H 0.3442 -0.0747 -0.0091 0.042 Uiso 1 1 calc R
C222 C 0.4757(3) 0.3400(2) 0.5137(4) 0.0367(17) Uani 1 1 d .
H22D H 0.5264 0.3392 0.5606 0.055 Uiso 1 1 calc R
H22E H 0.4562 0.3709 0.5061 0.055 Uiso 1 1 calc R
H22F H 0.4773 0.3299 0.4614 0.055 Uiso 1 1 calc R
C1 C 0.1246(5) 0.2776(3) -0.3010(6) 0.086(3) Uani 1 1 d D
H1A H 0.1686 0.2736 -0.2462 0.129 Uiso 1 1 calc R
H1B H 0.1307 0.3051 -0.3283 0.129 Uiso 1 1 calc R
H1C H 0.1198 0.2517 -0.3376 0.129 Uiso 1 1 calc R
C3 C 0.0440(10) 0.2420(6) -0.2468(12) 0.234(10) Uani 1 1 d D
H3A H 0.0817 0.2413 -0.1866 0.281 Uiso 1 1 calc R
H3B H 0.0511 0.2148 -0.2751 0.281 Uiso 1 1 calc R
C2 C 0.0539(8) 0.2816(5) -0.2871(11) 0.198(8) Uani 1 1 d D
H2A H 0.0583 0.3082 -0.2512 0.238 Uiso 1 1 calc R
H2B H 0.0095 0.2859 -0.3424 0.238 Uiso 1 1 calc R
N23 N 0.5130(2) 0.26066(14) 0.6383(3) 0.0194(10) Uani 1 1 d .
C231 C 0.6264(4) 0.2347(2) 0.6309(4) 0.048(2) Uani 1 1 d .
H23A H 0.6517 0.2639 0.6490 0.072 Uiso 1 1 calc R
H23B H 0.6453 0.2193 0.5950 0.072 Uiso 1 1 calc R
H23C H 0.6363 0.2162 0.6809 0.072 Uiso 1 1 calc R
C23 C 0.5428(4) 0.2422(2) 0.5812(4) 0.0334(17) Uani 1 1 d .
H23M H 0.5346 0.2651 0.5362 0.040 Uiso 1 1 calc R
C232 C 0.5000(4) 0.1999(2) 0.5381(4) 0.051(2) Uani 1 1 d .
H23D H 0.5101 0.1762 0.5805 0.077 Uiso 1 1 calc R
H23E H 0.5161 0.1898 0.4956 0.077 Uiso 1 1 calc R
H23F H 0.4460 0.2065 0.5101 0.077 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'
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
N18 Hf1 N17 90.85(17) . .
N18 Hf1 N16 104.82(16) . .
N17 Hf1 N16 102.89(16) . .
N18 Hf1 N11 102.44(16) . .
N17 Hf1 N11 104.42(16) . .
N16 Hf1 N11 140.73(13) . .
N18 Hf1 N13 160.73(15) . .
N17 Hf1 N13 90.80(16) . .
N16 Hf1 N13 93.51(15) . .
N11 Hf1 N13 58.63(15) . .
N18 Hf1 N14 92.18(16) . .
N17 Hf1 N14 161.76(14) . .
N16 Hf1 N14 58.97(14) . .
N11 Hf1 N14 92.48(14) . .
N13 Hf1 N14 92.23(14) . .
N18 Hf1 C12 131.73(16) . .
N17 Hf1 C12 97.93(16) . .
N16 Hf1 C12 118.92(15) . .
N11 Hf1 C12 29.45(15) . .
N13 Hf1 C12 29.19(15) . .
N14 Hf1 C12 93.43(15) . .
N18 Hf1 C15 98.89(16) . .
N17 Hf1 C15 132.52(16) . .
N16 Hf1 C15 29.71(14) . .
N11 Hf1 C15 118.25(15) . .
N13 Hf1 C15 94.09(15) . .
N14 Hf1 C15 29.28(14) . .
C12 Hf1 C15 108.80(15) . .
N24 Hf2 N24 89.3(2) . 2_656
N24 Hf2 N23 99.91(15) . 2_656
N24 Hf2 N23 107.17(17) 2_656 2_656
N24 Hf2 N23 107.17(17) . .
N24 Hf2 N23 99.91(15) 2_656 .
N23 Hf2 N23 141.7(2) 2_656 .
N24 Hf2 N21 158.52(16) . 2_656
N24 Hf2 N21 91.75(17) 2_656 2_656
N23 Hf2 N21 59.37(15) 2_656 2_656
N23 Hf2 N21 93.79(16) . 2_656
N24 Hf2 N21 91.75(17) . .
N24 Hf2 N21 158.52(16) 2_656 .
N23 Hf2 N21 93.79(16) 2_656 .
N23 Hf2 N21 59.37(15) . .
N21 Hf2 N21 95.1(2) 2_656 .
N24 Hf2 C22 129.20(17) . 2_656
N24 Hf2 C22 99.83(17) 2_656 2_656
N23 Hf2 C22 29.66(15) 2_656 2_656
N23 Hf2 C22 119.92(16) . 2_656
N21 Hf2 C22 29.75(14) 2_656 2_656
N21 Hf2 C22 96.12(16) . 2_656
N24 Hf2 C22 99.83(17) . .
N24 Hf2 C22 129.20(17) 2_656 .
N23 Hf2 C22 119.92(16) 2_656 .
N23 Hf2 C22 29.66(15) . .
N21 Hf2 C22 96.12(16) 2_656 .
N21 Hf2 C22 29.75(14) . .
C22 Hf2 C22 111.3(2) 2_656 .
C12 N13 C13 123.1(4) . .
C12 N13 Hf1 93.0(3) . .
C13 N13 Hf1 141.1(3) . .
C12 N11 C11 122.9(5) . .
C12 N11 Hf1 96.1(3) . .
C11 N11 Hf1 133.1(3) . .
C15 N14 C14 122.4(4) . .
C15 N14 Hf1 92.4(3) . .
C14 N14 Hf1 142.7(3) . .
C12 N12 C121 122.6(5) . .
C12 N12 C122 121.4(5) . .
C121 N12 C122 115.7(5) . .
C15 N15 C151 122.3(5) . .
C15 N15 C152 122.0(5) . .
C151 N15 C152 115.3(4) . .
C15 N16 C16 121.0(4) . .
C15 N16 Hf1 96.4(3) . .
C16 N16 Hf1 133.9(3) . .
C171 N17 C172 107.9(4) . .
C171 N17 Hf1 125.6(3) . .
C172 N17 Hf1 126.4(4) . .
C181 N18 C182 107.5(4) . .
C181 N18 Hf1 127.5(3) . .
C182 N18 Hf1 124.7(3) . .
C13 C132 H13A 109.5 . .
C13 C132 H13B 109.5 . .
H13A C132 H13B 109.5 . .
C13 C132 H13C 109.5 . .
H13A C132 H13C 109.5 . .
H13B C132 H13C 109.5 . .
N13 C13 C132 111.0(5) . .
N13 C13 C131 110.4(4) . .
C132 C13 C131 109.9(5) . .
N13 C13 H13G 108.5 . .
C132 C13 H13G 108.5 . .
C131 C13 H13G 108.5 . .
C13 C131 H13D 109.5 . .
C13 C131 H13E 109.5 . .
H13D C131 H13E 109.5 . .
C13 C131 H13F 109.5 . .
H13D C131 H13F 109.5 . .
H13E C131 H13F 109.5 . .
N12 C122 H12A 109.5 . .
N12 C122 H12B 109.5 . .
H12A C122 H12B 109.5 . .
N12 C122 H12C 109.5 . .
H12A C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
N11 C11 C111 111.8(4) . .
N11 C11 C112 108.7(5) . .
C111 C11 C112 112.4(5) . .
N11 C11 H11G 107.9 . .
C111 C11 H11G 107.9 . .
C112 C11 H11G 107.9 . .
C14 C142 H14A 109.5 . .
C14 C142 H14B 109.5 . .
H14A C142 H14B 109.5 . .
C14 C142 H14C 109.5 . .
H14A C142 H14C 109.5 . .
H14B C142 H14C 109.5 . .
N16 C16 C161 110.8(4) . .
N16 C16 C162 108.1(4) . .
C161 C16 C162 112.1(4) . .
N16 C16 H16G 108.6 . .
C161 C16 H16G 108.6 . .
C162 C16 H16G 108.6 . .
N13 C12 N11 112.2(5) . .
N13 C12 N12 125.0(5) . .
N11 C12 N12 122.7(5) . .
N13 C12 Hf1 57.8(3) . .
N11 C12 Hf1 54.4(3) . .
N12 C12 Hf1 175.1(4) . .
N15 C151 H15A 109.5 . .
N15 C151 H15B 109.5 . .
H15A C151 H15B 109.5 . .
N15 C151 H15C 109.5 . .
H15A C151 H15C 109.5 . .
H15B C151 H15C 109.5 . .
C16 C161 H16A 109.5 . .
C16 C161 H16B 109.5 . .
H16A C161 H16B 109.5 . .
C16 C161 H16C 109.5 . .
H16A C161 H16C 109.5 . .
H16B C161 H16C 109.5 . .
N14 C14 C141 110.7(4) . .
N14 C14 C142 109.6(4) . .
C141 C14 C142 109.2(4) . .
N14 C14 H14G 109.1 . .
C141 C14 H14G 109.1 . .
C142 C14 H14G 109.1 . .
C14 C141 H14D 109.5 . .
C14 C141 H14E 109.5 . .
H14D C141 H14E 109.5 . .
C14 C141 H14F 109.5 . .
H14D C141 H14F 109.5 . .
H14E C141 H14F 109.5 . .
N14 C15 N16 112.2(4) . .
N14 C15 N15 126.0(5) . .
N16 C15 N15 121.8(5) . .
N14 C15 Hf1 58.3(3) . .
N16 C15 Hf1 53.9(2) . .
N15 C15 Hf1 175.6(4) . .
C11 C111 H11A 109.5 . .
C11 C111 H11B 109.5 . .
H11A C111 H11B 109.5 . .
C11 C111 H11C 109.5 . .
H11A C111 H11C 109.5 . .
H11B C111 H11C 109.5 . .
C11 C112 H11D 109.5 . .
C11 C112 H11E 109.5 . .
H11D C112 H11E 109.5 . .
C11 C112 H11F 109.5 . .
H11D C112 H11F 109.5 . .
H11E C112 H11F 109.5 . .
N12 C121 H12D 109.5 . .
N12 C121 H12E 109.5 . .
H12D C121 H12E 109.5 . .
N12 C121 H12F 109.5 . .
H12D C121 H12F 109.5 . .
H12E C121 H12F 109.5 . .
N17 C172 H17A 109.5 . .
N17 C172 H17B 109.5 . .
H17A C172 H17B 109.5 . .
N17 C172 H17C 109.5 . .
H17A C172 H17C 109.5 . .
H17B C172 H17C 109.5 . .
N17 C171 H17D 109.5 . .
N17 C171 H17E 109.5 . .
H17D C171 H17E 109.5 . .
N17 C171 H17F 109.5 . .
H17D C171 H17F 109.5 . .
H17E C171 H17F 109.5 . .
N18 C182 H18A 109.5 . .
N18 C182 H18B 109.5 . .
H18A C182 H18B 109.5 . .
N18 C182 H18C 109.5 . .
H18A C182 H18C 109.5 . .
H18B C182 H18C 109.5 . .
N18 C181 H18D 109.5 . .
N18 C181 H18E 109.5 . .
H18D C181 H18E 109.5 . .
N18 C181 H18F 109.5 . .
H18D C181 H18F 109.5 . .
H18E C181 H18F 109.5 . .
C16 C162 H16D 109.5 . .
C16 C162 H16E 109.5 . .
H16D C162 H16E 109.5 . .
C16 C162 H16F 109.5 . .
H16D C162 H16F 109.5 . .
H16E C162 H16F 109.5 . .
C22 N22 C221 121.8(5) . .
C22 N22 C222 121.8(5) . .
C221 N22 C222 116.2(5) . .
C241 N24 C242 107.4(4) . .
C241 N24 Hf2 126.6(4) . .
C242 N24 Hf2 125.8(3) . .
C22 N21 C21 120.9(5) . .
C22 N21 Hf2 92.6(3) . .
C21 N21 Hf2 143.6(4) . .
N24 C242 H24A 109.5 . .
N24 C242 H24B 109.5 . .
H24A C242 H24B 109.5 . .
N24 C242 H24C 109.5 . .
H24A C242 H24C 109.5 . .
H24B C242 H24C 109.5 . .
C21 C213 H21A 109.5 . .
C21 C213 H21B 109.5 . .
H21A C213 H21B 109.5 . .
C21 C213 H21C 109.5 . .
H21A C213 H21C 109.5 . .
H21B C213 H21C 109.5 . .
N21 C21 C213 111.3(5) . .
N21 C21 C212 111.1(5) . .
C213 C21 C212 110.3(5) . .
N21 C21 H21M 108.0 . .
C213 C21 H21M 108.0 . .
C212 C21 H21M 108.0 . .
N24 C241 H24D 109.5 . .
N24 C241 H24E 109.5 . .
H24D C241 H24E 109.5 . .
N24 C241 H24F 109.5 . .
H24D C241 H24F 109.5 . .
H24E C241 H24F 109.5 . .
N23 C22 N21 112.6(5) . .
N23 C22 N22 122.8(5) . .
N21 C22 N22 124.6(5) . .
N23 C22 Hf2 55.0(3) . .
N21 C22 Hf2 57.7(3) . .
N22 C22 Hf2 175.3(4) . .
N22 C221 H22A 109.5 . .
N22 C221 H22B 109.5 . .
H22A C221 H22B 109.5 . .
N22 C221 H22C 109.5 . .
H22A C221 H22C 109.5 . .
H22B C221 H22C 109.5 . .
C21 C212 H21D 109.5 . .
C21 C212 H21E 109.5 . .
H21D C212 H21E 109.5 . .
C21 C212 H21F 109.5 . .
H21D C212 H21F 109.5 . .
H21E C212 H21F 109.5 . .
N15 C152 H15D 109.5 . .
N15 C152 H15E 109.5 . .
H15D C152 H15E 109.5 . .
N15 C152 H15F 109.5 . .
H15D C152 H15F 109.5 . .
H15E C152 H15F 109.5 . .
N22 C222 H22D 109.5 . .
N22 C222 H22E 109.5 . .
H22D C222 H22E 109.5 . .
N22 C222 H22F 109.5 . .
H22D C222 H22F 109.5 . .
H22E C222 H22F 109.5 . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C2 C3 C3 109.3(13) . 2_554
C2 C3 H3A 109.8 . .
C3 C3 H3A 109.8 2_554 .
C2 C3 H3B 109.8 . .
C3 C3 H3B 109.8 2_554 .
H3A C3 H3B 108.3 . .
C3 C2 C1 110.7(11) . .
C3 C2 H2A 109.5 . .
C1 C2 H2A 109.5 . .
C3 C2 H2B 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
C22 N23 C23 121.6(5) . .
C22 N23 Hf2 95.4(3) . .
C23 N23 Hf2 136.0(3) . .
C23 C231 H23A 109.5 . .
C23 C231 H23B 109.5 . .
H23A C231 H23B 109.5 . .
C23 C231 H23C 109.5 . .
H23A C231 H23C 109.5 . .
H23B C231 H23C 109.5 . .
N23 C23 C231 109.2(5) . .
N23 C23 C232 110.0(5) . .
C231 C23 C232 113.4(5) . .
N23 C23 H23M 108.0 . .
C231 C23 H23M 108.0 . .
C232 C23 H23M 108.0 . .
C23 C232 H23D 109.5 . .
C23 C232 H23E 109.5 . .
H23D C232 H23E 109.5 . .
C23 C232 H23F 109.5 . .
H23D C232 H23F 109.5 . .
H23E C232 H23F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hf1 N18 2.075(4) .
Hf1 N17 2.081(4) .
Hf1 N16 2.204(4) .
Hf1 N11 2.207(4) .
Hf1 N13 2.286(4) .
Hf1 N14 2.310(4) .
Hf1 C12 2.697(5) .
Hf1 C15 2.711(5) .
Hf2 N24 2.078(4) .
Hf2 N24 2.078(4) 2_656
Hf2 N23 2.213(4) 2_656
Hf2 N23 2.213(4) .
Hf2 N21 2.277(5) 2_656
Hf2 N21 2.277(5) .
Hf2 C22 2.691(5) 2_656
Hf2 C22 2.691(5) .
N13 C12 1.317(6) .
N13 C13 1.483(6) .
N11 C12 1.334(7) .
N11 C11 1.470(6) .
N14 C15 1.327(6) .
N14 C14 1.473(6) .
N12 C12 1.393(7) .
N12 C121 1.441(7) .
N12 C122 1.463(6) .
N15 C15 1.388(6) .
N15 C151 1.449(7) .
N15 C152 1.453(6) .
N16 C15 1.352(6) .
N16 C16 1.476(6) .
N17 C171 1.449(7) .
N17 C172 1.456(6) .
N18 C181 1.458(6) .
N18 C182 1.467(7) .
C132 C13 1.523(7) .
C132 H13A 0.9800 .
C132 H13B 0.9800 .
C132 H13C 0.9800 .
C13 C131 1.526(7) .
C13 H13G 1.0000 .
C131 H13D 0.9800 .
C131 H13E 0.9800 .
C131 H13F 0.9800 .
C122 H12A 0.9800 .
C122 H12B 0.9800 .
C122 H12C 0.9800 .
C11 C111 1.514(7) .
C11 C112 1.531(8) .
C11 H11G 1.0000 .
C142 C14 1.522(7) .
C142 H14A 0.9800 .
C142 H14B 0.9800 .
C142 H14C 0.9800 .
C16 C161 1.530(7) .
C16 C162 1.519(8) .
C16 H16G 1.0000 .
C151 H15A 0.9800 .
C151 H15B 0.9800 .
C151 H15C 0.9800 .
C161 H16A 0.9800 .
C161 H16B 0.9800 .
C161 H16C 0.9800 .
C14 C141 1.521(7) .
C14 H14G 1.0000 .
C141 H14D 0.9800 .
C141 H14E 0.9800 .
C141 H14F 0.9800 .
C111 H11A 0.9800 .
C111 H11B 0.9800 .
C111 H11C 0.9800 .
C112 H11D 0.9800 .
C112 H11E 0.9800 .
C112 H11F 0.9800 .
C121 H12D 0.9800 .
C121 H12E 0.9800 .
C121 H12F 0.9800 .
C172 H17A 0.9800 .
C172 H17B 0.9800 .
C172 H17C 0.9800 .
C171 H17D 0.9800 .
C171 H17E 0.9800 .
C171 H17F 0.9800 .
C182 H18A 0.9800 .
C182 H18B 0.9800 .
C182 H18C 0.9800 .
C181 H18D 0.9800 .
C181 H18E 0.9800 .
C181 H18F 0.9800 .
C162 H16D 0.9800 .
C162 H16E 0.9800 .
C162 H16F 0.9800 .
N22 C22 1.390(7) .
N22 C221 1.440(7) .
N22 C222 1.452(6) .
N24 C241 1.460(6) .
N24 C242 1.458(7) .
N21 C22 1.336(6) .
N21 C21 1.486(6) .
C242 H24A 0.9800 .
C242 H24B 0.9800 .
C242 H24C 0.9800 .
C213 C21 1.503(8) .
C213 H21A 0.9800 .
C213 H21B 0.9800 .
C213 H21C 0.9800 .
C21 C212 1.523(7) .
C21 H21M 1.0000 .
C241 H24D 0.9800 .
C241 H24E 0.9800 .
C241 H24F 0.9800 .
C22 N23 1.337(6) .
C221 H22A 0.9800 .
C221 H22B 0.9800 .
C221 H22C 0.9800 .
C212 H21D 0.9800 .
C212 H21E 0.9800 .
C212 H21F 0.9800 .
C152 H15D 0.9800 .
C152 H15E 0.9800 .
C152 H15F 0.9800 .
C222 H22D 0.9800 .
C222 H22E 0.9800 .
C222 H22F 0.9800 .
C1 C2 1.534(8) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C3 C2 1.430(9) .
C3 C3 1.70(3) 2_554
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
N23 C23 1.478(6) .
C231 C23 1.511(8) .
C231 H23A 0.9800 .
C231 H23B 0.9800 .
C231 H23C 0.9800 .
C23 C232 1.516(9) .
C23 H23M 1.0000 .
C232 H23D 0.9800 .
C232 H23E 0.9800 .
C232 H23F 0.9800 .
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
N18 Hf1 N13 C12 10.1(6) .
N17 Hf1 N13 C12 105.0(3) .
N16 Hf1 N13 C12 -152.1(3) .
N11 Hf1 N13 C12 -1.5(3) .
N14 Hf1 N13 C12 -93.0(3) .
C15 Hf1 N13 C12 -122.3(3) .
N18 Hf1 N13 C13 169.6(5) .
N17 Hf1 N13 C13 -95.5(5) .
N16 Hf1 N13 C13 7.5(5) .
N11 Hf1 N13 C13 158.1(6) .
N14 Hf1 N13 C13 66.5(5) .
C12 Hf1 N13 C13 159.6(7) .
C15 Hf1 N13 C13 37.3(5) .
N18 Hf1 N11 C12 -174.6(3) .
N17 Hf1 N11 C12 -80.5(3) .
N16 Hf1 N11 C12 52.3(4) .
N13 Hf1 N11 C12 1.5(3) .
N14 Hf1 N11 C12 92.6(3) .
C15 Hf1 N11 C12 78.0(3) .
N18 Hf1 N11 C11 -26.5(5) .
N17 Hf1 N11 C11 67.6(5) .
N16 Hf1 N11 C11 -159.6(4) .
N13 Hf1 N11 C11 149.6(5) .
N14 Hf1 N11 C11 -119.3(5) .
C12 Hf1 N11 C11 148.1(7) .
C15 Hf1 N11 C11 -133.9(5) .
N18 Hf1 N14 C15 104.4(3) .
N17 Hf1 N14 C15 5.0(7) .
N16 Hf1 N14 C15 -1.6(3) .
N11 Hf1 N14 C15 -153.1(3) .
N13 Hf1 N14 C15 -94.4(3) .
C12 Hf1 N14 C15 -123.6(3) .
N18 Hf1 N14 C14 -95.7(5) .
N17 Hf1 N14 C14 164.9(5) .
N16 Hf1 N14 C14 158.2(6) .
N11 Hf1 N14 C14 6.8(5) .
N13 Hf1 N14 C14 65.5(5) .
C12 Hf1 N14 C14 36.3(5) .
C15 Hf1 N14 C14 159.9(7) .
N18 Hf1 N16 C15 -81.9(3) .
N17 Hf1 N16 C15 -176.3(3) .
N11 Hf1 N16 C15 50.6(4) .
N13 Hf1 N16 C15 92.1(3) .
N14 Hf1 N16 C15 1.6(3) .
C12 Hf1 N16 C15 77.0(3) .
N18 Hf1 N16 C16 63.9(5) .
N17 Hf1 N16 C16 -30.5(5) .
N11 Hf1 N16 C16 -163.6(4) .
N13 Hf1 N16 C16 -122.1(5) .
N14 Hf1 N16 C16 147.4(5) .
C12 Hf1 N16 C16 -137.2(5) .
C15 Hf1 N16 C16 145.8(7) .
N18 Hf1 N17 C171 147.7(4) .
N16 Hf1 N17 C171 -106.9(4) .
N11 Hf1 N17 C171 44.6(5) .
N13 Hf1 N17 C171 -13.1(4) .
N14 Hf1 N17 C171 -112.7(6) .
C12 Hf1 N17 C171 15.3(4) .
C15 Hf1 N17 C171 -109.4(4) .
N18 Hf1 N17 C172 -36.4(4) .
N16 Hf1 N17 C172 69.0(4) .
N11 Hf1 N17 C172 -139.4(4) .
N13 Hf1 N17 C172 162.8(4) .
N14 Hf1 N17 C172 63.2(7) .
C12 Hf1 N17 C172 -168.8(4) .
C15 Hf1 N17 C172 66.5(5) .
N17 Hf1 N18 C181 -37.0(4) .
N16 Hf1 N18 C181 -140.6(4) .
N11 Hf1 N18 C181 68.0(4) .
N13 Hf1 N18 C181 57.9(7) .
N14 Hf1 N18 C181 161.0(4) .
C12 Hf1 N18 C181 64.4(4) .
C15 Hf1 N18 C181 -170.3(4) .
N17 Hf1 N18 C182 148.5(4) .
N16 Hf1 N18 C182 45.0(4) .
N11 Hf1 N18 C182 -106.5(4) .
N13 Hf1 N18 C182 -116.6(5) .
N14 Hf1 N18 C182 -13.5(4) .
C12 Hf1 N18 C182 -110.0(4) .
C15 Hf1 N18 C182 15.2(4) .
C12 N13 C13 C132 118.9(5) .
Hf1 N13 C13 C132 -36.4(7) .
C12 N13 C13 C131 -118.9(5) .
Hf1 N13 C13 C131 85.7(6) .
C12 N11 C11 C111 81.1(6) .
Hf1 N11 C11 C111 -60.2(7) .
C12 N11 C11 C112 -154.1(5) .
Hf1 N11 C11 C112 64.6(6) .
C15 N16 C16 C161 80.3(6) .
Hf1 N16 C16 C161 -59.0(7) .
C15 N16 C16 C162 -156.5(5) .
Hf1 N16 C16 C162 64.2(6) .
C13 N13 C12 N11 -162.5(5) .
Hf1 N13 C12 N11 2.3(4) .
C13 N13 C12 N12 20.0(8) .
Hf1 N13 C12 N12 -175.2(5) .
C13 N13 C12 Hf1 -164.8(5) .
C11 N11 C12 N13 -155.0(4) .
Hf1 N11 C12 N13 -2.4(5) .
C11 N11 C12 N12 22.5(8) .
Hf1 N11 C12 N12 175.1(4) .
C11 N11 C12 Hf1 -152.6(5) .
C121 N12 C12 N13 40.0(8) .
C122 N12 C12 N13 -133.9(5) .
C121 N12 C12 N11 -137.1(5) .
C122 N12 C12 N11 48.9(7) .
C121 N12 C12 Hf1 -84(5) .
C122 N12 C12 Hf1 102(5) .
N18 Hf1 C12 N13 -175.6(3) .
N17 Hf1 C12 N13 -77.3(3) .
N16 Hf1 C12 N13 32.3(3) .
N11 Hf1 C12 N13 177.4(5) .
N14 Hf1 C12 N13 88.4(3) .
C15 Hf1 C12 N13 62.9(3) .
N18 Hf1 C12 N11 7.0(4) .
N17 Hf1 C12 N11 105.3(3) .
N16 Hf1 C12 N11 -145.1(3) .
N13 Hf1 C12 N11 -177.4(5) .
N14 Hf1 C12 N11 -89.0(3) .
C15 Hf1 C12 N11 -114.4(3) .
N18 Hf1 C12 N12 -49(5) .
N17 Hf1 C12 N12 49(5) .
N16 Hf1 C12 N12 159(5) .
N11 Hf1 C12 N12 -56(5) .
N13 Hf1 C12 N12 127(5) .
N14 Hf1 C12 N12 -145(5) .
C15 Hf1 C12 N12 -170(5) .
C15 N14 C14 C141 120.0(5) .
Hf1 N14 C14 C141 -36.0(7) .
C15 N14 C14 C142 -119.4(5) .
Hf1 N14 C14 C142 84.6(6) .
C14 N14 C15 N16 -163.3(4) .
Hf1 N14 C15 N16 2.5(4) .
C14 N14 C15 N15 15.3(8) .
Hf1 N14 C15 N15 -179.0(5) .
C14 N14 C15 Hf1 -165.7(5) .
C16 N16 C15 N14 -154.4(4) .
Hf1 N16 C15 N14 -2.6(5) .
C16 N16 C15 N15 27.0(7) .
Hf1 N16 C15 N15 178.8(4) .
C16 N16 C15 Hf1 -151.8(5) .
C151 N15 C15 N14 42.7(8) .
C152 N15 C15 N14 -129.6(6) .
C151 N15 C15 N16 -138.8(5) .
C152 N15 C15 N16 48.8(7) .
C151 N15 C15 Hf1 -126(5) .
C152 N15 C15 Hf1 62(5) .
N18 Hf1 C15 N14 -78.4(3) .
N17 Hf1 C15 N14 -177.9(3) .
N16 Hf1 C15 N14 177.2(5) .
N11 Hf1 C15 N14 30.9(4) .
N13 Hf1 C15 N14 87.3(3) .
C12 Hf1 C15 N14 61.5(3) .
N18 Hf1 C15 N16 104.4(3) .
N17 Hf1 C15 N16 4.9(4) .
N11 Hf1 C15 N16 -146.3(3) .
N13 Hf1 C15 N16 -89.9(3) .
N14 Hf1 C15 N16 -177.2(5) .
C12 Hf1 C15 N16 -115.7(3) .
N18 Hf1 C15 N15 91(5) .
N17 Hf1 C15 N15 -9(5) .
N16 Hf1 C15 N15 -14(5) .
N11 Hf1 C15 N15 -160(5) .
N13 Hf1 C15 N15 -104(5) .
N14 Hf1 C15 N15 169(5) .
C12 Hf1 C15 N15 -130(5) .
N24 Hf2 N24 C241 36.9(3) 2_656
N23 Hf2 N24 C241 -70.4(4) 2_656
N23 Hf2 N24 C241 137.0(4) .
N21 Hf2 N24 C241 -56.0(7) 2_656
N21 Hf2 N24 C241 -164.6(4) .
C22 Hf2 N24 C241 -65.2(5) 2_656
C22 Hf2 N24 C241 166.6(4) .
N24 Hf2 N24 C242 -149.0(5) 2_656
N23 Hf2 N24 C242 103.7(4) 2_656
N23 Hf2 N24 C242 -48.9(4) .
N21 Hf2 N24 C242 118.1(5) 2_656
N21 Hf2 N24 C242 9.5(4) .
C22 Hf2 N24 C242 108.9(4) 2_656
C22 Hf2 N24 C242 -19.3(4) .
N24 Hf2 N21 C22 -106.9(3) .
N24 Hf2 N21 C22 -14.5(6) 2_656
N23 Hf2 N21 C22 153.0(3) 2_656
N23 Hf2 N21 C22 2.1(3) .
N21 Hf2 N21 C22 93.5(3) 2_656
C22 Hf2 N21 C22 123.4(3) 2_656
N24 Hf2 N21 C21 95.1(6) .
N24 Hf2 N21 C21 -172.5(5) 2_656
N23 Hf2 N21 C21 -4.9(6) 2_656
N23 Hf2 N21 C21 -155.9(6) .
N21 Hf2 N21 C21 -64.5(6) 2_656
C22 Hf2 N21 C21 -34.6(6) 2_656
C22 Hf2 N21 C21 -158.0(8) .
C22 N21 C21 C213 -116.5(6) .
Hf2 N21 C21 C213 37.6(8) .
C22 N21 C21 C212 120.2(6) .
Hf2 N21 C21 C212 -85.7(7) .
C21 N21 C22 N23 161.8(5) .
Hf2 N21 C22 N23 -3.2(5) .
C21 N21 C22 N22 -20.0(8) .
Hf2 N21 C22 N22 175.0(5) .
C21 N21 C22 Hf2 165.0(6) .
C221 N22 C22 N23 130.9(6) .
C222 N22 C22 N23 -54.1(7) .
C221 N22 C22 N21 -47.1(8) .
C222 N22 C22 N21 127.9(6) .
C221 N22 C22 Hf2 70(5) .
C222 N22 C22 Hf2 -115(5) .
N24 Hf2 C22 N23 -107.5(3) .
N24 Hf2 C22 N23 -10.4(4) 2_656
N23 Hf2 C22 N23 144.9(3) 2_656
N21 Hf2 C22 N23 86.9(3) 2_656
N21 Hf2 C22 N23 176.4(5) .
C22 Hf2 C22 N23 113.3(3) 2_656
N24 Hf2 C22 N21 76.1(3) .
N24 Hf2 C22 N21 173.2(3) 2_656
N23 Hf2 C22 N21 -31.5(4) 2_656
N23 Hf2 C22 N21 -176.4(5) .
N21 Hf2 C22 N21 -89.5(4) 2_656
C22 Hf2 C22 N21 -63.1(3) 2_656
N24 Hf2 C22 N22 -44(5) .
N24 Hf2 C22 N22 53(5) 2_656
N23 Hf2 C22 N22 -151(5) 2_656
N23 Hf2 C22 N22 64(5) .
N21 Hf2 C22 N22 151(5) 2_656
N21 Hf2 C22 N22 -120(5) .
C22 Hf2 C22 N22 177(100) 2_656
C3 C3 C2 C1 -166.9(12) 2_554
N21 C22 N23 C23 158.3(5) .
N22 C22 N23 C23 -20.0(8) .
Hf2 C22 N23 C23 155.0(5) .
N21 C22 N23 Hf2 3.3(5) .
N22 C22 N23 Hf2 -175.0(5) .
N24 Hf2 N23 C22 79.5(3) .
N24 Hf2 N23 C22 171.8(3) 2_656
N23 Hf2 N23 C22 -53.4(3) 2_656
N21 Hf2 N23 C22 -95.7(3) 2_656
N21 Hf2 N23 C22 -2.1(3) .
C22 Hf2 N23 C22 -80.7(4) 2_656
N24 Hf2 N23 C23 -69.2(6) .
N24 Hf2 N23 C23 23.1(6) 2_656
N23 Hf2 N23 C23 157.9(6) 2_656
N21 Hf2 N23 C23 115.5(5) 2_656
N21 Hf2 N23 C23 -150.8(6) .
C22 Hf2 N23 C23 130.6(5) 2_656
C22 Hf2 N23 C23 -148.7(7) .
C22 N23 C23 C231 151.4(5) .
Hf2 N23 C23 C231 -65.9(7) .
C22 N23 C23 C232 -83.5(6) .
Hf2 N23 C23 C232 59.2(7) .
