#------------------------------------------------------------------------------
#$Date: 2019-09-24 15:50:44 +0300 (Tue, 24 Sep 2019) $
#$Revision: 218790 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/33/4063376.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_4063376
loop_
_publ_author_name
'Kirillov, Evgeny'
'Marquet, Nicolas'
'Bader, Manuela'
'Razavi, Abbas'
'Belia, Vincenzo'
'Hampel, Frank'
'Roisnel, Thierry'
'Gladysz, John A.'
'Carpentier, Jean-François'
_publ_section_title
;
 Chiral-at-ansa-Bridged Group 4 Metallocene Complexes
 {(R1R2C)-(3,6-tBu2Flu)(3-R3-5-Me-C5H2)}MCl2: Synthesis, Structure,
 Stereochemistry, and Use in Highly Isoselective Propylene Polymerization
;
_journal_coden_ASTM              ORGND7
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              263
_journal_page_last               272
_journal_paper_doi               10.1021/om100897j
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C38 H44 Cl2 Hf'
_chemical_formula_weight         750.12
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.660(10)
_cell_angle_beta                 97.850(10)
_cell_angle_gamma                91.230(10)
_cell_formula_units_Z            4
_cell_length_a                   11.5420(10)
_cell_length_b                   13.2190(10)
_cell_length_c                   22.043(3)
_cell_measurement_temperature    110(1)
_cell_volume                     3290.6(6)
_computing_cell_refinement
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_data_collection
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_data_reduction
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_molecular_graphics    'PLATON_(Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97_(Altomare & al., 1998)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 19.64
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega 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  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            44214
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    3.357
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.592
_refine_diff_density_min         -0.516
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       0.00046(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.881
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         13182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.881
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0199
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0223P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0419
_refine_ls_wR_factor_ref         0.0443
_reflns_number_gt                9044
_reflns_number_total             13182
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100897j_si_001.cif
_cod_data_source_block           kir349cis_complex_syn4a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-24
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4063376
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
Hf1 Hf 0.437447(13) 0.444436(9) 0.278616(6) 0.01112(4) Uani 1 1 d . . .
Cl1 Cl 0.53470(7) 0.39836(6) 0.37213(3) 0.01905(17) Uani 1 1 d . . .
Cl2 Cl 0.29874(7) 0.30173(5) 0.24848(4) 0.01811(19) Uani 1 1 d . . .
C1 C 0.2802(3) 0.5552(2) 0.24439(15) 0.0137(7) Uani 1 1 d . . .
C2 C 0.2543(3) 0.5364(2) 0.30302(14) 0.0154(7) Uani 1 1 d . . .
H2 H 0.1872 0.4986 0.3093 0.019 Uiso 1 1 calc R . .
C3 C 0.3419(3) 0.5815(2) 0.35032(14) 0.0158(7) Uani 1 1 d . . .
C4 C 0.4275(3) 0.62626(19) 0.32057(13) 0.0124(6) Uani 1 1 d . . .
H4 H 0.4989 0.6598 0.3410 0.015 Uiso 1 1 calc R . .
C5 C 0.3893(3) 0.61289(19) 0.25520(13) 0.0111(6) Uani 1 1 d . . .
C6 C 0.4756(3) 0.6249(2) 0.21035(13) 0.0130(7) Uani 1 1 d . . .
H6 H 0.5371 0.6769 0.2327 0.016 Uiso 1 1 calc R . .
C7 C 0.5330(3) 0.5211(2) 0.20561(14) 0.0123(7) Uani 1 1 d . . .
C8 C 0.6298(3) 0.4983(2) 0.24887(14) 0.0124(7) Uani 1 1 d . . .
C9 C 0.7089(3) 0.5608(2) 0.29522(14) 0.0144(7) Uani 1 1 d . . .
H9 H 0.7037 0.6331 0.3015 0.017 Uiso 1 1 calc R . .
C10 C 0.7927(3) 0.5149(2) 0.33063(14) 0.0156(7) Uani 1 1 d . . .
H10 H 0.8457 0.5575 0.3612 0.019 Uiso 1 1 calc R . .
C11 C 0.8051(3) 0.4069(2) 0.32435(15) 0.0148(7) Uani 1 1 d . . .
C12 C 0.7300(3) 0.3456(2) 0.27916(14) 0.0129(7) Uani 1 1 d . . .
H12 H 0.7375 0.2735 0.2731 0.015 Uiso 1 1 calc R . .
C13 C 0.6422(3) 0.3894(2) 0.24195(14) 0.0127(7) Uani 1 1 d . . .
C14 C 0.5522(3) 0.3434(2) 0.19270(14) 0.0130(7) Uani 1 1 d . . .
C15 C 0.5247(3) 0.2395(2) 0.16655(14) 0.0139(7) Uani 1 1 d . . .
H15 H 0.5684 0.1867 0.1824 0.017 Uiso 1 1 calc R . .
C16 C 0.4356(3) 0.2152(2) 0.11877(14) 0.0144(7) Uani 1 1 d . . .
C17 C 0.3741(3) 0.2958(2) 0.09487(14) 0.0154(7) Uani 1 1 d . . .
H17 H 0.3134 0.2784 0.0609 0.018 Uiso 1 1 calc R . .
C18 C 0.3978(3) 0.3972(2) 0.11814(14) 0.0133(7) Uani 1 1 d . . .
H18 H 0.3548 0.4485 0.1003 0.016 Uiso 1 1 calc R . .
C19 C 0.4873(3) 0.4248(2) 0.16922(14) 0.0132(7) Uani 1 1 d . . .
C20 C 0.1968(3) 0.5242(2) 0.18479(14) 0.0184(7) Uani 1 1 d . . .
H20A H 0.1296 0.4846 0.1931 0.028 Uiso 1 1 calc R . .
H20B H 0.2373 0.4823 0.1544 0.028 Uiso 1 1 calc R . .
H20C H 0.1695 0.5858 0.1683 0.028 Uiso 1 1 calc R . .
C21 C 0.3360(3) 0.5959(2) 0.42004(14) 0.0193(7) Uani 1 1 d . . .
C22 C 0.2961(3) 0.4960(2) 0.44058(16) 0.0249(8) Uani 1 1 d . . .
H22A H 0.2211 0.4706 0.4160 0.037 Uiso 1 1 calc R . .
H22B H 0.2870 0.5092 0.4846 0.037 Uiso 1 1 calc R . .
H22C H 0.3549 0.4445 0.4342 0.037 Uiso 1 1 calc R . .
C23 C 0.2414(3) 0.6755(3) 0.43138(16) 0.0319(9) Uani 1 1 d . . .
H23A H 0.1662 0.6490 0.4074 0.048 Uiso 1 1 calc R . .
H23B H 0.2643 0.7397 0.4183 0.048 Uiso 1 1 calc R . .
H23C H 0.2338 0.6880 0.4756 0.048 Uiso 1 1 calc R . .
C24 C 0.4518(3) 0.6371(3) 0.45733(15) 0.0289(9) Uani 1 1 d . . .
H24A H 0.4451 0.6454 0.5016 0.043 Uiso 1 1 calc R . .
H24B H 0.4724 0.7035 0.4462 0.043 Uiso 1 1 calc R . .
H24C H 0.5128 0.5889 0.4483 0.043 Uiso 1 1 calc R . .
C25 C 0.4289(3) 0.6621(2) 0.15029(14) 0.0140(7) Uani 1 1 d . . .
C26 C 0.3414(3) 0.7331(2) 0.15016(15) 0.0198(7) Uani 1 1 d . . .
H26 H 0.3081 0.7541 0.1869 0.024 Uiso 1 1 calc R . .
C27 C 0.3028(3) 0.7733(2) 0.09688(16) 0.0245(8) Uani 1 1 d . . .
H27 H 0.2420 0.8206 0.0970 0.029 Uiso 1 1 calc R . .
C28 C 0.3525(3) 0.7447(2) 0.04344(16) 0.0257(8) Uani 1 1 d . . .
H28 H 0.3265 0.7730 0.0071 0.031 Uiso 1 1 calc R . .
C29 C 0.4401(3) 0.6747(2) 0.04321(16) 0.0243(8) Uani 1 1 d . . .
H29 H 0.4744 0.6549 0.0066 0.029 Uiso 1 1 calc R . .
C30 C 0.4776(3) 0.6337(2) 0.09621(14) 0.0182(7) Uani 1 1 d . . .
H30 H 0.5375 0.5855 0.0957 0.022 Uiso 1 1 calc R . .
C31 C 0.8978(3) 0.3586(2) 0.36628(14) 0.0180(7) Uani 1 1 d . . .
C32 C 0.9570(3) 0.4359(2) 0.42110(16) 0.0286(9) Uani 1 1 d . . .
H32A H 1.0158 0.4018 0.4464 0.043 Uiso 1 1 calc R . .
H32B H 0.8981 0.4636 0.4464 0.043 Uiso 1 1 calc R . .
H32C H 0.9951 0.4919 0.4056 0.043 Uiso 1 1 calc R . .
C33 C 0.9927(3) 0.3148(2) 0.32780(16) 0.0242(8) Uani 1 1 d . . .
H33A H 1.0525 0.2838 0.3544 0.036 Uiso 1 1 calc R . .
H33B H 1.0291 0.3701 0.3110 0.036 Uiso 1 1 calc R . .
H33C H 0.9567 0.2626 0.2937 0.036 Uiso 1 1 calc R . .
C34 C 0.8408(3) 0.2715(2) 0.39257(15) 0.0233(8) Uani 1 1 d . . .
H34A H 0.9006 0.2407 0.4192 0.035 Uiso 1 1 calc R . .
H34B H 0.8052 0.2193 0.3584 0.035 Uiso 1 1 calc R . .
H34C H 0.7804 0.2990 0.4169 0.035 Uiso 1 1 calc R . .
C35 C 0.3991(3) 0.1036(2) 0.09017(14) 0.0172(7) Uani 1 1 d . . .
C36 C 0.3972(3) 0.0915(2) 0.01950(15) 0.0232(9) Uani 1 1 d . . .
H36A H 0.4759 0.1065 0.0103 0.035 Uiso 1 1 calc R . .
H36B H 0.3426 0.1392 0.0024 0.035 Uiso 1 1 calc R . .
H36C H 0.3719 0.0211 0.0008 0.035 Uiso 1 1 calc R . .
C37 C 0.4818(3) 0.0278(2) 0.11689(14) 0.0210(7) Uani 1 1 d . . .
H37A H 0.4824 0.0354 0.1619 0.031 Uiso 1 1 calc R . .
H37B H 0.5610 0.0414 0.1080 0.031 Uiso 1 1 calc R . .
H37C H 0.4551 -0.0422 0.0980 0.031 Uiso 1 1 calc R . .
C38 C 0.2753(3) 0.0805(2) 0.10426(17) 0.0262(8) Uani 1 1 d . . .
H38A H 0.2761 0.0882 0.1492 0.039 Uiso 1 1 calc R . .
H38B H 0.2498 0.0102 0.0855 0.039 Uiso 1 1 calc R . .
H38C H 0.2212 0.1284 0.0870 0.039 Uiso 1 1 calc R . .
Hf51 Hf -0.059133(12) -0.062011(9) 0.277691(6) 0.01166(4) Uani 1 1 d . . .
Cl51 Cl 0.04220(7) 0.03125(5) 0.37149(3) 0.01964(17) Uani 1 1 d . . .
Cl52 Cl -0.19335(8) 0.06472(5) 0.24889(4) 0.01846(19) Uani 1 1 d . . .
C51 C -0.2238(3) -0.1881(2) 0.24313(15) 0.0143(7) Uani 1 1 d . . .
C52 C -0.2453(3) -0.1418(2) 0.30319(14) 0.0166(7) Uani 1 1 d . . .
H52 H -0.3097 -0.1007 0.3111 0.020 Uiso 1 1 calc R . .
C53 C -0.1574(3) -0.1659(2) 0.34892(14) 0.0147(7) Uani 1 1 d . . .
C54 C -0.0771(3) -0.2252(2) 0.31634(13) 0.0135(7) Uani 1 1 d . . .
H54 H -0.0064 -0.2498 0.3350 0.016 Uiso 1 1 calc R . .
C55 C -0.1188(3) -0.24203(19) 0.25177(14) 0.0147(7) Uani 1 1 d . . .
C56 C -0.0359(3) -0.2755(2) 0.20452(13) 0.0136(7) Uani 1 1 d . . .
H56 H 0.0237 -0.3177 0.2253 0.016 Uiso 1 1 calc R . .
C57 C 0.0274(3) -0.1742(2) 0.20119(14) 0.0137(7) Uani 1 1 d . . .
C58 C 0.1270(3) -0.1325(2) 0.24524(14) 0.0124(7) Uani 1 1 d . . .
C59 C 0.2029(3) -0.1752(2) 0.29042(14) 0.0159(7) Uani 1 1 d . . .
H59 H 0.1921 -0.2447 0.2954 0.019 Uiso 1 1 calc R . .
C60 C 0.2917(3) -0.1146(2) 0.32647(15) 0.0172(8) Uani 1 1 d . . .
H60 H 0.3424 -0.1444 0.3559 0.021 Uiso 1 1 calc R . .
C61 C 0.3123(3) -0.0093(2) 0.32224(15) 0.0159(7) Uani 1 1 d . . .
C62 C 0.2401(3) 0.0329(2) 0.27902(14) 0.0142(7) Uani 1 1 d . . .
H62 H 0.2529 0.1025 0.2745 0.017 Uiso 1 1 calc R . .
C63 C 0.1466(3) -0.0264(2) 0.24115(14) 0.0130(7) Uani 1 1 d . . .
C64 C 0.0594(3) -0.0003(2) 0.19408(14) 0.0126(7) Uani 1 1 d . . .
C65 C 0.0383(3) 0.0934(2) 0.17200(13) 0.0127(7) Uani 1 1 d . . .
H65 H 0.0848 0.1531 0.1907 0.015 Uiso 1 1 calc R . .
C66 C -0.0478(3) 0.0989(2) 0.12424(14) 0.0132(7) Uani 1 1 d . . .
C67 C -0.1145(3) 0.0070(2) 0.09629(14) 0.0146(7) Uani 1 1 d . . .
H67 H -0.1725 0.0103 0.0617 0.018 Uiso 1 1 calc R . .
C68 C -0.0994(3) -0.0849(2) 0.11659(15) 0.0162(8) Uani 1 1 d . . .
H68 H -0.1468 -0.1435 0.0970 0.019 Uiso 1 1 calc R . .
C69 C -0.0110(3) -0.0917(2) 0.16781(14) 0.0124(7) Uani 1 1 d . . .
C70 C -0.3064(3) -0.1808(2) 0.18511(14) 0.0195(7) Uani 1 1 d . . .
H70A H -0.3704 -0.1368 0.1955 0.029 Uiso 1 1 calc R . .
H70B H -0.3386 -0.2493 0.1663 0.029 Uiso 1 1 calc R . .
H70C H -0.2642 -0.1515 0.1557 0.029 Uiso 1 1 calc R . .
C71 C -0.1595(3) -0.1479(2) 0.41874(14) 0.0201(7) Uani 1 1 d . . .
C72 C -0.0421(3) -0.1703(3) 0.45442(15) 0.0260(8) Uani 1 1 d . . .
H72A H -0.0467 -0.1586 0.4990 0.039 Uiso 1 1 calc R . .
H72B H 0.0195 -0.1248 0.4456 0.039 Uiso 1 1 calc R . .
H72C H -0.0239 -0.2417 0.4416 0.039 Uiso 1 1 calc R . .
C73 C -0.2546(3) -0.2227(2) 0.43116(15) 0.0283(9) Uani 1 1 d . . .
H73A H -0.3302 -0.2090 0.4084 0.042 Uiso 1 1 calc R . .
H73B H -0.2597 -0.2133 0.4757 0.042 Uiso 1 1 calc R . .
H73C H -0.2343 -0.2932 0.4173 0.042 Uiso 1 1 calc R . .
C74 C -0.1931(3) -0.0385(2) 0.44164(15) 0.0238(8) Uani 1 1 d . . .
H74A H -0.2684 -0.0247 0.4186 0.036 Uiso 1 1 calc R . .
H74B H -0.1328 0.0104 0.4350 0.036 Uiso 1 1 calc R . .
H74C H -0.1996 -0.0312 0.4859 0.036 Uiso 1 1 calc R . .
C75 C -0.0889(3) -0.3416(2) 0.14428(14) 0.0152(7) Uani 1 1 d . . .
C76 C -0.0461(3) -0.3359(2) 0.08856(15) 0.0210(8) Uani 1 1 d . . .
H76 H 0.0148 -0.2871 0.0873 0.025 Uiso 1 1 calc R . .
C77 C -0.0923(3) -0.4015(2) 0.03498(16) 0.0253(9) Uani 1 1 d . . .
H77 H -0.0634 -0.3964 -0.0028 0.030 Uiso 1 1 calc R . .
C78 C -0.1793(3) -0.4736(2) 0.03594(15) 0.0256(8) Uani 1 1 d . . .
H78 H -0.2098 -0.5184 -0.0009 0.031 Uiso 1 1 calc R . .
C79 C -0.2220(3) -0.4804(2) 0.09060(15) 0.0216(8) Uani 1 1 d . . .
H79 H -0.2826 -0.5297 0.0914 0.026 Uiso 1 1 calc R . .
C80 C -0.1765(3) -0.4149(2) 0.14483(15) 0.0201(7) Uani 1 1 d . . .
H80 H -0.2058 -0.4206 0.1825 0.024 Uiso 1 1 calc R . .
C81 C 0.4116(3) 0.0575(2) 0.36390(15) 0.0201(7) Uani 1 1 d . . .
C82 C 0.5012(3) 0.0887(3) 0.32417(16) 0.0268(8) Uani 1 1 d . . .
H82A H 0.4623 0.1253 0.2921 0.040 Uiso 1 1 calc R . .
H82B H 0.5357 0.0273 0.3045 0.040 Uiso 1 1 calc R . .
H82C H 0.5630 0.1334 0.3505 0.040 Uiso 1 1 calc R . .
C83 C 0.4736(4) 0.0011(3) 0.41412(18) 0.0393(10) Uani 1 1 d . . .
H83A H 0.4166 -0.0195 0.4396 0.059 Uiso 1 1 calc R . .
H83B H 0.5348 0.0466 0.4404 0.059 Uiso 1 1 calc R . .
H83C H 0.5090 -0.0599 0.3945 0.059 Uiso 1 1 calc R . .
C84 C 0.3609(3) 0.1549(2) 0.39620(15) 0.0297(9) Uani 1 1 d . . .
H84A H 0.3040 0.1356 0.4220 0.045 Uiso 1 1 calc R . .
H84B H 0.3222 0.1929 0.3648 0.045 Uiso 1 1 calc R . .
H84C H 0.4244 0.1980 0.4223 0.045 Uiso 1 1 calc R . .
C85 C -0.0786(3) 0.1994(2) 0.09969(14) 0.0149(7) Uani 1 1 d . . .
C86 C -0.0719(3) 0.1862(2) 0.03003(15) 0.0188(8) Uani 1 1 d . . .
H86A H 0.0081 0.1702 0.0228 0.028 Uiso 1 1 calc R . .
H86B H -0.0932 0.2498 0.0143 0.028 Uiso 1 1 calc R . .
H86C H -0.1261 0.1302 0.0084 0.028 Uiso 1 1 calc R . .
C87 C 0.0048(3) 0.2892(2) 0.13217(15) 0.0201(7) Uani 1 1 d . . .
H87A H 0.0847 0.2747 0.1242 0.030 Uiso 1 1 calc R . .
H87B H 0.0021 0.2982 0.1769 0.030 Uiso 1 1 calc R . .
H87C H -0.0192 0.3519 0.1162 0.030 Uiso 1 1 calc R . .
C88 C -0.2028(3) 0.2250(2) 0.11277(16) 0.0218(8) Uani 1 1 d . . .
H88A H -0.2051 0.2333 0.1575 0.033 Uiso 1 1 calc R . .
H88B H -0.2580 0.1693 0.0917 0.033 Uiso 1 1 calc R . .
H88C H -0.2246 0.2888 0.0975 0.033 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'
Cl Cl 0.1484 0.1585 '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
Cl1 Hf1 Cl2 99.23(3) . . ?
Cl1 Hf1 C7 124.48(8) . . ?
Cl2 Hf1 C7 122.98(8) . . ?
Cl1 Hf1 C5 128.83(7) . . ?
Cl2 Hf1 C5 121.09(8) . . ?
C7 Hf1 C5 58.82(9) . . ?
Cl1 Hf1 C4 95.08(7) . . ?
Cl2 Hf1 C4 135.36(8) . . ?
C7 Hf1 C4 79.79(9) . . ?
C5 Hf1 C4 34.15(9) . . ?
Cl1 Hf1 C1 139.23(7) . . ?
Cl2 Hf1 C1 87.82(8) . . ?
C7 Hf1 C1 81.40(11) . . ?
C5 Hf1 C1 34.04(10) . . ?
C4 Hf1 C1 55.64(10) . . ?
Cl1 Hf1 C8 90.83(8) . . ?
Cl2 Hf1 C8 136.78(7) . . ?
C7 Hf1 C8 33.81(10) . . ?
C5 Hf1 C8 80.81(10) . . ?
C4 Hf1 C8 84.58(10) . . ?
C1 Hf1 C8 111.19(11) . . ?
Cl1 Hf1 C19 132.74(7) . . ?
Cl2 Hf1 C19 90.01(8) . . ?
C7 Hf1 C19 33.96(10) . . ?
C5 Hf1 C19 80.96(9) . . ?
C4 Hf1 C19 110.27(10) . . ?
C1 Hf1 C19 86.96(10) . . ?
C8 Hf1 C19 54.58(10) . . ?
Cl1 Hf1 C2 108.09(7) . . ?
Cl2 Hf1 C2 81.61(7) . . ?
C7 Hf1 C2 111.96(10) . . ?
C5 Hf1 C2 55.01(10) . . ?
C4 Hf1 C2 53.75(10) . . ?
C1 Hf1 C2 32.94(10) . . ?
C8 Hf1 C2 134.65(9) . . ?
C19 Hf1 C2 119.12(10) . . ?
Cl1 Hf1 C3 85.25(7) . . ?
Cl2 Hf1 C3 106.93(8) . . ?
C7 Hf1 C3 110.98(9) . . ?
C5 Hf1 C3 55.35(9) . . ?
C4 Hf1 C3 32.64(9) . . ?
C1 Hf1 C3 54.54(10) . . ?
C8 Hf1 C3 115.77(10) . . ?
C19 Hf1 C3 135.98(9) . . ?
C2 Hf1 C3 31.70(10) . . ?
Cl1 Hf1 C14 102.70(7) . . ?
Cl2 Hf1 C14 83.74(7) . . ?
C7 Hf1 C14 54.73(9) . . ?
C5 Hf1 C14 111.16(9) . . ?
C4 Hf1 C14 133.55(10) . . ?
C1 Hf1 C14 118.01(10) . . ?
C8 Hf1 C14 53.04(9) . . ?
C19 Hf1 C14 32.09(9) . . ?
C2 Hf1 C14 147.58(10) . . ?
C3 Hf1 C14 165.71(10) . . ?
Cl1 Hf1 C13 80.16(7) . . ?
Cl2 Hf1 C13 108.75(7) . . ?
C7 Hf1 C13 54.64(10) . . ?
C5 Hf1 C13 110.95(10) . . ?
C4 Hf1 C13 115.29(10) . . ?
C1 Hf1 C13 135.43(11) . . ?
C8 Hf1 C13 31.89(9) . . ?
C19 Hf1 C13 53.20(10) . . ?
C2 Hf1 C13 165.96(10) . . ?
C3 Hf1 C13 143.11(10) . . ?
C14 Hf1 C13 31.38(9) . . ?
C2 C1 C5 107.1(3) . . ?
C2 C1 C20 122.9(3) . . ?
C5 C1 C20 129.8(3) . . ?
C2 C1 Hf1 76.45(17) . . ?
C5 C1 Hf1 71.23(16) . . ?
C20 C1 Hf1 121.88(18) . . ?
C3 C2 C1 110.4(3) . . ?
C3 C2 Hf1 75.99(17) . . ?
C1 C2 Hf1 70.61(16) . . ?
C3 C2 H2 124.8 . . ?
C1 C2 H2 124.8 . . ?
Hf1 C2 H2 120.2 . . ?
C2 C3 C4 106.2(3) . . ?
C2 C3 C21 126.4(3) . . ?
C4 C3 C21 126.6(3) . . ?
C2 C3 Hf1 72.31(15) . . ?
C4 C3 Hf1 68.47(14) . . ?
C21 C3 Hf1 131.78(19) . . ?
C3 C4 C5 109.5(3) . . ?
C3 C4 Hf1 78.89(16) . . ?
C5 C4 Hf1 71.65(14) . . ?
C3 C4 H4 125.2 . . ?
C5 C4 H4 125.2 . . ?
Hf1 C4 H4 116.1 . . ?
C1 C5 C4 106.7(3) . . ?
C1 C5 C6 128.9(3) . . ?
C4 C5 C6 120.6(3) . . ?
C1 C5 Hf1 74.73(16) . . ?
C4 C5 Hf1 74.19(15) . . ?
C6 C5 Hf1 99.44(16) . . ?
C25 C6 C5 117.2(3) . . ?
C25 C6 C7 117.4(2) . . ?
C5 C6 C7 101.8(2) . . ?
C25 C6 H6 106.5 . . ?
C5 C6 H6 106.5 . . ?
C7 C6 H6 106.5 . . ?
C8 C7 C19 107.0(2) . . ?
C8 C7 C6 123.5(3) . . ?
C19 C7 C6 127.9(3) . . ?
C8 C7 Hf1 77.53(18) . . ?
C19 C7 Hf1 77.99(18) . . ?
C6 C7 Hf1 99.83(18) . . ?
C9 C8 C7 132.7(3) . . ?
C9 C8 C13 117.7(3) . . ?
C7 C8 C13 109.6(3) . . ?
C9 C8 Hf1 117.2(2) . . ?
C7 C8 Hf1 68.66(17) . . ?
C13 C8 Hf1 80.36(19) . . ?
C10 C9 C8 118.8(3) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C9 C10 C11 123.8(3) . . ?
C9 C10 H10 118.1 . . ?
C11 C10 H10 118.1 . . ?
C12 C11 C10 118.0(3) . . ?
C12 C11 C31 120.0(3) . . ?
C10 C11 C31 122.1(3) . . ?
C11 C12 C13 120.2(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C8 121.5(3) . . ?
C12 C13 C14 131.4(3) . . ?
C8 C13 C14 107.1(3) . . ?
C12 C13 Hf1 123.2(2) . . ?
C8 C13 Hf1 67.75(17) . . ?
C14 C13 Hf1 73.86(17) . . ?
C15 C14 C19 120.9(3) . . ?
C15 C14 C13 131.1(3) . . ?
C19 C14 C13 108.0(3) . . ?
C15 C14 Hf1 122.8(2) . . ?
C19 C14 Hf1 68.71(16) . . ?
C13 C14 Hf1 74.76(16) . . ?
C16 C15 C14 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 118.7(3) . . ?
C15 C16 C35 122.3(3) . . ?
C17 C16 C35 119.0(3) . . ?
C18 C17 C16 123.5(3) . . ?
C18 C17 H17 118.3 . . ?
C16 C17 H17 118.3 . . ?
C17 C18 C19 119.2(3) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C18 C19 C14 117.6(3) . . ?
C18 C19 C7 134.1(3) . . ?
C14 C19 C7 108.3(3) . . ?
C18 C19 Hf1 119.9(2) . . ?
C14 C19 Hf1 79.20(18) . . ?
C7 C19 Hf1 68.05(17) . . ?
C1 C20 H20A 109.5 . . ?
C1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C24 C21 C3 111.5(3) . . ?
C24 C21 C22 110.6(3) . . ?
C3 C21 C22 111.6(3) . . ?
C24 C21 C23 109.2(3) . . ?
C3 C21 C23 105.8(3) . . ?
C22 C21 C23 107.9(3) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 118.7(3) . . ?
C30 C25 C6 121.7(3) . . ?
C26 C25 C6 119.4(3) . . ?
C27 C26 C25 120.4(3) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 120.2(3) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C29 119.8(3) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C30 C29 C28 119.9(3) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 120.9(3) . . ?
C29 C30 H30 119.5 . . ?
C25 C30 H30 119.5 . . ?
C11 C31 C32 112.3(2) . . ?
C11 C31 C34 109.8(3) . . ?
C32 C31 C34 107.8(3) . . ?
C11 C31 C33 109.0(3) . . ?
C32 C31 C33 108.5(3) . . ?
C34 C31 C33 109.3(2) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C37 C35 C38 108.7(3) . . ?
C37 C35 C16 112.0(3) . . ?
C38 C35 C16 108.3(2) . . ?
C37 C35 C36 109.7(2) . . ?
C38 C35 C36 109.1(3) . . ?
C16 C35 C36 109.0(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Cl51 Hf51 Cl52 99.30(3) . . ?
Cl51 Hf51 C57 125.98(8) . . ?
Cl52 Hf51 C57 121.58(8) . . ?
Cl51 Hf51 C55 129.98(8) . . ?
Cl52 Hf51 C55 119.60(8) . . ?
C57 Hf51 C55 58.86(10) . . ?
Cl51 Hf51 C54 96.35(7) . . ?
Cl52 Hf51 C54 134.90(8) . . ?
C57 Hf51 C54 79.53(10) . . ?
C55 Hf51 C54 33.89(10) . . ?
Cl51 Hf51 C51 139.28(8) . . ?
Cl52 Hf51 C51 86.57(7) . . ?
C57 Hf51 C51 81.20(11) . . ?
C55 Hf51 C51 33.89(10) . . ?
C54 Hf51 C51 55.54(11) . . ?
Cl51 Hf51 C58 92.10(8) . . ?
Cl52 Hf51 C58 137.10(8) . . ?
C57 Hf51 C58 33.96(10) . . ?
C55 Hf51 C58 80.45(10) . . ?
C54 Hf51 C58 83.77(10) . . ?
C51 Hf51 C58 110.79(10) . . ?
Cl51 Hf51 C69 132.09(8) . . ?
Cl52 Hf51 C69 89.11(7) . . ?
C57 Hf51 C69 33.97(9) . . ?
C55 Hf51 C69 81.83(10) . . ?
C54 Hf51 C69 110.53(9) . . ?
C51 Hf51 C69 87.94(10) . . ?
C58 Hf51 C69 54.38(10) . . ?
Cl51 Hf51 C52 107.57(7) . . ?
Cl52 Hf51 C52 81.17(7) . . ?
C57 Hf51 C52 111.95(10) . . ?
C55 Hf51 C52 54.94(9) . . ?
C54 Hf51 C52 53.77(10) . . ?
C51 Hf51 C52 33.15(9) . . ?
C58 Hf51 C52 134.10(9) . . ?
C69 Hf51 C52 120.33(10) . . ?
Cl51 Hf51 C53 85.38(7) . . ?
Cl52 Hf51 C53 107.19(7) . . ?
C57 Hf51 C53 110.87(9) . . ?
C55 Hf51 C53 55.26(9) . . ?
C54 Hf51 C53 32.71(8) . . ?
C51 Hf51 C53 54.75(10) . . ?
C58 Hf51 C53 114.91(10) . . ?
C69 Hf51 C53 136.88(9) . . ?
C52 Hf51 C53 31.80(10) . . ?
Cl51 Hf51 C64 101.56(7) . . ?
Cl52 Hf51 C64 84.00(7) . . ?
C57 Hf51 C64 55.13(10) . . ?
C55 Hf51 C64 111.97(9) . . ?
C54 Hf51 C64 133.38(9) . . ?
C51 Hf51 C64 119.15(10) . . ?
C58 Hf51 C64 53.15(10) . . ?
C69 Hf51 C64 32.15(9) . . ?
C52 Hf51 C64 149.02(10) . . ?
C53 Hf51 C64 165.89(8) . . ?
Cl51 Hf51 C63 80.21(7) . . ?
Cl52 Hf51 C63 109.77(7) . . ?
C57 Hf51 C63 54.89(10) . . ?
C55 Hf51 C63 110.90(9) . . ?
C54 Hf51 C63 114.47(9) . . ?
C51 Hf51 C63 135.66(9) . . ?
C58 Hf51 C63 32.02(9) . . ?
C69 Hf51 C63 52.91(10) . . ?
C52 Hf51 C63 165.79(9) . . ?
C53 Hf51 C63 141.98(10) . . ?
C64 Hf51 C63 31.22(9) . . ?
C55 C51 C52 107.0(3) . . ?
C55 C51 C70 130.4(3) . . ?
C52 C51 C70 122.5(3) . . ?
C55 C51 Hf51 71.63(18) . . ?
C52 C51 Hf51 76.51(18) . . ?
C70 C51 Hf51 120.1(2) . . ?
C53 C52 C51 110.2(3) . . ?
C53 C52 Hf51 76.01(18) . . ?
C51 C52 Hf51 70.34(18) . . ?
C53 C52 H52 124.9 . . ?
C51 C52 H52 124.9 . . ?
Hf51 C52 H52 120.3 . . ?
C52 C53 C54 105.8(3) . . ?
C52 C53 C71 126.4(3) . . ?
C54 C53 C71 127.0(3) . . ?
C52 C53 Hf51 72.19(18) . . ?
C54 C53 Hf51 68.26(17) . . ?
C71 C53 Hf51 131.7(2) . . ?
C55 C54 C53 109.9(3) . . ?
C55 C54 Hf51 72.03(16) . . ?
C53 C54 Hf51 79.04(17) . . ?
C55 C54 H54 125.1 . . ?
C53 C54 H54 125.1 . . ?
Hf51 C54 H54 115.7 . . ?
C51 C55 C54 107.1(2) . . ?
C51 C55 C56 128.2(3) . . ?
C54 C55 C56 120.6(3) . . ?
C51 C55 Hf51 74.48(16) . . ?
C54 C55 Hf51 74.08(16) . . ?
C56 C55 Hf51 99.26(18) . . ?
C75 C56 C57 118.4(3) . . ?
C75 C56 C55 117.0(3) . . ?
C57 C56 C55 101.9(2) . . ?
C75 C56 H56 106.2 . . ?
C57 C56 H56 106.2 . . ?
C55 C56 H56 106.2 . . ?
C58 C57 C69 105.8(3) . . ?
C58 C57 C56 122.7(3) . . ?
C69 C57 C56 129.7(3) . . ?
C58 C57 Hf51 76.80(16) . . ?
C69 C57 Hf51 77.68(16) . . ?
C56 C57 Hf51 99.94(18) . . ?
C59 C58 C63 117.5(3) . . ?
C59 C58 C57 132.8(3) . . ?
C63 C58 C57 109.6(3) . . ?
C59 C58 Hf51 116.8(2) . . ?
C63 C58 Hf51 79.92(17) . . ?
C57 C58 Hf51 69.25(16) . . ?
C60 C59 C58 119.1(3) . . ?
C60 C59 H59 120.4 . . ?
C58 C59 H59 120.4 . . ?
C59 C60 C61 123.6(3) . . ?
C59 C60 H60 118.2 . . ?
C61 C60 H60 118.2 . . ?
C62 C61 C60 118.0(3) . . ?
C62 C61 C81 119.3(3) . . ?
C60 C61 C81 122.6(3) . . ?
C61 C62 C63 120.3(3) . . ?
C61 C62 H62 119.8 . . ?
C63 C62 H62 119.8 . . ?
C62 C63 C64 131.0(3) . . ?
C62 C63 C58 121.4(3) . . ?
C64 C63 C58 107.6(3) . . ?
C62 C63 Hf51 123.8(2) . . ?
C64 C63 Hf51 73.89(18) . . ?
C58 C63 Hf51 68.06(17) . . ?
C65 C64 C63 130.9(3) . . ?
C65 C64 C69 121.3(3) . . ?
C63 C64 C69 107.8(3) . . ?
C65 C64 Hf51 121.86(19) . . ?
C63 C64 Hf51 74.90(18) . . ?
C69 C64 Hf51 69.44(17) . . ?
C66 C65 C64 120.4(3) . . ?
C66 C65 H65 119.8 . . ?
C64 C65 H65 119.8 . . ?
C65 C66 C67 118.3(3) . . ?
C65 C66 C85 123.0(3) . . ?
C67 C66 C85 118.6(3) . . ?
C68 C67 C66 123.6(3) . . ?
C68 C67 H67 118.2 . . ?
C66 C67 H67 118.2 . . ?
C67 C68 C69 118.9(3) . . ?
C67 C68 H68 120.5 . . ?
C69 C68 H68 120.5 . . ?
C68 C69 C64 117.4(3) . . ?
C68 C69 C57 133.7(3) . . ?
C64 C69 C57 109.0(3) . . ?
C68 C69 Hf51 120.5(2) . . ?
C64 C69 Hf51 78.41(17) . . ?
C57 C69 Hf51 68.35(16) . . ?
C51 C70 H70A 109.5 . . ?
C51 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C51 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C53 C71 C72 111.6(3) . . ?
C53 C71 C74 111.6(3) . . ?
C72 C71 C74 109.9(3) . . ?
C53 C71 C73 106.6(3) . . ?
C72 C71 C73 108.9(3) . . ?
C74 C71 C73 108.1(3) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C80 C75 C76 118.5(3) . . ?
C80 C75 C56 119.7(3) . . ?
C76 C75 C56 121.6(3) . . ?
C77 C76 C75 120.1(3) . . ?
C77 C76 H76 119.9 . . ?
C75 C76 H76 119.9 . . ?
C78 C77 C76 120.9(3) . . ?
C78 C77 H77 119.6 . . ?
C76 C77 H77 119.6 . . ?
C77 C78 C79 119.6(3) . . ?
C77 C78 H78 120.2 . . ?
C79 C78 H78 120.2 . . ?
C78 C79 C80 120.2(3) . . ?
C78 C79 H79 119.9 . . ?
C80 C79 H79 119.9 . . ?
C75 C80 C79 120.7(3) . . ?
C75 C80 H80 119.7 . . ?
C79 C80 H80 119.7 . . ?
C82 C81 C83 109.0(3) . . ?
C82 C81 C61 109.4(3) . . ?
C83 C81 C61 111.8(3) . . ?
C82 C81 C84 108.9(3) . . ?
C83 C81 C84 108.1(3) . . ?
C61 C81 C84 109.5(3) . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C81 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C81 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C81 C84 H84A 109.5 . . ?
C81 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C81 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C86 C85 C87 108.4(3) . . ?
C86 C85 C88 110.8(3) . . ?
C87 C85 C88 108.0(2) . . ?
C86 C85 C66 109.6(2) . . ?
C87 C85 C66 112.1(3) . . ?
C88 C85 C66 107.9(3) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C85 C87 H87A 109.5 . . ?
C85 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C85 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C85 C88 H88A 109.5 . . ?
C85 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C85 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
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
Hf1 Cl1 2.3780(8) . ?
Hf1 Cl2 2.4012(9) . ?
Hf1 C7 2.401(3) . ?
Hf1 C5 2.420(3) . ?
Hf1 C4 2.453(2) . ?
Hf1 C1 2.465(3) . ?
Hf1 C8 2.517(3) . ?
Hf1 C19 2.532(3) . ?
Hf1 C2 2.541(3) . ?
Hf1 C3 2.588(3) . ?
Hf1 C14 2.669(3) . ?
Hf1 C13 2.681(3) . ?
C1 C2 1.421(4) . ?
C1 C5 1.430(4) . ?
C1 C20 1.515(4) . ?
C2 C3 1.401(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.422(4) . ?
C3 C21 1.531(4) . ?
C4 C5 1.431(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.518(4) . ?
C6 C25 1.516(4) . ?
C6 C7 1.532(4) . ?
C6 H6 1.0000 . ?
C7 C8 1.434(4) . ?
C7 C19 1.446(4) . ?
C8 C9 1.421(4) . ?
C8 C13 1.437(4) . ?
C9 C10 1.369(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.425(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.375(4) . ?
C11 C31 1.532(4) . ?
C12 C13 1.405(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.447(4) . ?
C14 C15 1.419(4) . ?
C14 C19 1.444(4) . ?
C15 C16 1.363(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.419(4) . ?
C16 C35 1.540(4) . ?
C17 C18 1.369(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.418(4) . ?
C18 H18 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C24 1.514(5) . ?
C21 C22 1.541(4) . ?
C21 C23 1.551(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.391(4) . ?
C25 C26 1.394(4) . ?
C26 C27 1.384(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.385(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.386(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.381(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.531(4) . ?
C31 C34 1.538(4) . ?
C31 C33 1.545(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C37 1.526(4) . ?
C35 C38 1.537(4) . ?
C35 C36 1.539(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
Hf51 Cl51 2.3817(8) . ?
Hf51 Cl52 2.4026(8) . ?
Hf51 C57 2.411(3) . ?
Hf51 C55 2.424(3) . ?
Hf51 C54 2.450(3) . ?
Hf51 C51 2.461(3) . ?
Hf51 C58 2.510(3) . ?
Hf51 C69 2.534(3) . ?
Hf51 C52 2.541(3) . ?
Hf51 C53 2.590(3) . ?
Hf51 C64 2.651(3) . ?
Hf51 C63 2.664(3) . ?
C51 C55 1.424(4) . ?
C51 C52 1.429(4) . ?
C51 C70 1.504(4) . ?
C52 C53 1.407(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.425(4) . ?
C53 C71 1.525(4) . ?
C54 C55 1.421(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.532(4) . ?
C56 C75 1.519(4) . ?
C56 C57 1.528(4) . ?
C56 H56 1.0000 . ?
C57 C58 1.440(4) . ?
C57 C69 1.449(4) . ?
C58 C59 1.425(4) . ?
C58 C63 1.434(4) . ?
C59 C60 1.369(5) . ?
C59 H59 0.9500 . ?
C60 C61 1.426(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.370(4) . ?
C61 C81 1.537(4) . ?
C62 C63 1.413(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.430(4) . ?
C64 C65 1.412(4) . ?
C64 C69 1.440(4) . ?
C65 C66 1.357(4) . ?
C65 H65 0.9500 . ?
C66 C67 1.433(4) . ?
C66 C85 1.540(4) . ?
C67 C68 1.363(4) . ?
C67 H67 0.9500 . ?
C68 C69 1.429(4) . ?
C68 H68 0.9500 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.529(5) . ?
C71 C74 1.535(4) . ?
C71 C73 1.540(5) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C80 1.387(4) . ?
C75 C76 1.397(4) . ?
C76 C77 1.390(4) . ?
C76 H76 0.9500 . ?
C77 C78 1.373(5) . ?
C77 H77 0.9500 . ?
C78 C79 1.377(5) . ?
C78 H78 0.9500 . ?
C79 C80 1.397(4) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.531(5) . ?
C81 C83 1.532(5) . ?
C81 C84 1.542(4) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 C86 1.532(4) . ?
C85 C87 1.534(4) . ?
C85 C88 1.536(4) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl1 Hf1 C1 C2 -23.7(2) . . . . ?
Cl2 Hf1 C1 C2 77.90(18) . . . . ?
C7 Hf1 C1 C2 -158.27(19) . . . . ?
C5 Hf1 C1 C2 -113.6(3) . . . . ?
C4 Hf1 C1 C2 -74.80(19) . . . . ?
C8 Hf1 C1 C2 -141.98(18) . . . . ?
C19 Hf1 C1 C2 168.03(19) . . . . ?
C3 Hf1 C1 C2 -34.74(17) . . . . ?
C14 Hf1 C1 C2 159.63(17) . . . . ?
C13 Hf1 C1 C2 -167.29(17) . . . . ?
Cl1 Hf1 C1 C5 89.92(19) . . . . ?
Cl2 Hf1 C1 C5 -168.45(16) . . . . ?
C7 Hf1 C1 C5 -44.62(17) . . . . ?
C4 Hf1 C1 C5 38.84(16) . . . . ?
C8 Hf1 C1 C5 -28.34(19) . . . . ?
C19 Hf1 C1 C5 -78.32(18) . . . . ?
C2 Hf1 C1 C5 113.6(3) . . . . ?
C3 Hf1 C1 C5 78.91(18) . . . . ?
C14 Hf1 C1 C5 -86.73(18) . . . . ?
C13 Hf1 C1 C5 -53.6(2) . . . . ?
Cl1 Hf1 C1 C20 -144.3(2) . . . . ?
Cl2 Hf1 C1 C20 -42.7(3) . . . . ?
C7 Hf1 C1 C20 81.2(3) . . . . ?
C5 Hf1 C1 C20 125.8(3) . . . . ?
C4 Hf1 C1 C20 164.6(3) . . . . ?
C8 Hf1 C1 C20 97.5(3) . . . . ?
C19 Hf1 C1 C20 47.5(3) . . . . ?
C2 Hf1 C1 C20 -120.6(4) . . . . ?
C3 Hf1 C1 C20 -155.3(3) . . . . ?
C14 Hf1 C1 C20 39.1(3) . . . . ?
C13 Hf1 C1 C20 72.1(3) . . . . ?
C5 C1 C2 C3 1.0(3) . . . . ?
C20 C1 C2 C3 -174.5(2) . . . . ?
Hf1 C1 C2 C3 66.1(2) . . . . ?
C5 C1 C2 Hf1 -65.15(18) . . . . ?
C20 C1 C2 Hf1 119.4(2) . . . . ?
Cl1 Hf1 C2 C3 46.00(18) . . . . ?
Cl2 Hf1 C2 C3 143.03(18) . . . . ?
C7 Hf1 C2 C3 -94.70(19) . . . . ?
C5 Hf1 C2 C3 -79.21(19) . . . . ?
C4 Hf1 C2 C3 -36.88(17) . . . . ?
C1 Hf1 C2 C3 -118.0(3) . . . . ?
C8 Hf1 C2 C3 -64.1(2) . . . . ?
C19 Hf1 C2 C3 -131.66(18) . . . . ?
C14 Hf1 C2 C3 -152.93(19) . . . . ?
C13 Hf1 C2 C3 -78.4(4) . . . . ?
Cl1 Hf1 C2 C1 163.95(17) . . . . ?
Cl2 Hf1 C2 C1 -99.02(18) . . . . ?
C7 Hf1 C2 C1 23.3(2) . . . . ?
C5 Hf1 C2 C1 38.74(18) . . . . ?
C4 Hf1 C2 C1 81.1(2) . . . . ?
C8 Hf1 C2 C1 53.8(2) . . . . ?
C19 Hf1 C2 C1 -13.7(2) . . . . ?
C3 Hf1 C2 C1 118.0(3) . . . . ?
C14 Hf1 C2 C1 -35.0(3) . . . . ?
C13 Hf1 C2 C1 39.5(5) . . . . ?
C1 C2 C3 C4 -2.4(3) . . . . ?
Hf1 C2 C3 C4 60.38(18) . . . . ?
C1 C2 C3 C21 167.9(3) . . . . ?
Hf1 C2 C3 C21 -129.3(3) . . . . ?
C1 C2 C3 Hf1 -62.75(19) . . . . ?
Cl1 Hf1 C3 C2 -136.67(18) . . . . ?
Cl2 Hf1 C3 C2 -38.45(18) . . . . ?
C7 Hf1 C3 C2 98.12(19) . . . . ?
C5 Hf1 C3 C2 78.02(19) . . . . ?
C4 Hf1 C3 C2 116.2(3) . . . . ?
C1 Hf1 C3 C2 36.13(18) . . . . ?
C8 Hf1 C3 C2 134.70(18) . . . . ?
C19 Hf1 C3 C2 69.9(2) . . . . ?
C14 Hf1 C3 C2 98.7(4) . . . . ?
C13 Hf1 C3 C2 156.67(18) . . . . ?
Cl1 Hf1 C3 C4 107.13(18) . . . . ?
Cl2 Hf1 C3 C4 -154.65(17) . . . . ?
C7 Hf1 C3 C4 -18.1(2) . . . . ?
C5 Hf1 C3 C4 -38.18(18) . . . . ?
C1 Hf1 C3 C4 -80.1(2) . . . . ?
C8 Hf1 C3 C4 18.5(2) . . . . ?
C19 Hf1 C3 C4 -46.3(3) . . . . ?
C2 Hf1 C3 C4 -116.2(3) . . . . ?
C14 Hf1 C3 C4 -17.5(5) . . . . ?
C13 Hf1 C3 C4 40.5(3) . . . . ?
Cl1 Hf1 C3 C21 -13.3(3) . . . . ?
Cl2 Hf1 C3 C21 84.9(3) . . . . ?
C7 Hf1 C3 C21 -138.5(3) . . . . ?
C5 Hf1 C3 C21 -158.6(3) . . . . ?
C4 Hf1 C3 C21 -120.4(4) . . . . ?
C1 Hf1 C3 C21 159.5(3) . . . . ?
C8 Hf1 C3 C21 -101.9(3) . . . . ?
C19 Hf1 C3 C21 -166.7(3) . . . . ?
C2 Hf1 C3 C21 123.4(4) . . . . ?
C14 Hf1 C3 C21 -137.9(4) . . . . ?
C13 Hf1 C3 C21 -79.9(3) . . . . ?
C2 C3 C4 C5 2.9(3) . . . . ?
C21 C3 C4 C5 -167.4(3) . . . . ?
Hf1 C3 C4 C5 65.80(18) . . . . ?
C2 C3 C4 Hf1 -62.92(19) . . . . ?
C21 C3 C4 Hf1 126.8(3) . . . . ?
Cl1 Hf1 C4 C3 -72.97(18) . . . . ?
Cl2 Hf1 C4 C3 35.7(2) . . . . ?
C7 Hf1 C4 C3 162.9(2) . . . . ?
C5 Hf1 C4 C3 115.1(3) . . . . ?
C1 Hf1 C4 C3 76.4(2) . . . . ?
C8 Hf1 C4 C3 -163.3(2) . . . . ?
C19 Hf1 C4 C3 147.64(18) . . . . ?
C2 Hf1 C4 C3 35.78(18) . . . . ?
C14 Hf1 C4 C3 174.13(17) . . . . ?
C13 Hf1 C4 C3 -154.48(18) . . . . ?
Cl1 Hf1 C4 C5 171.96(17) . . . . ?
Cl2 Hf1 C4 C5 -79.42(19) . . . . ?
C7 Hf1 C4 C5 47.80(18) . . . . ?
C1 Hf1 C4 C5 -38.71(17) . . . . ?
C8 Hf1 C4 C5 81.61(18) . . . . ?
C19 Hf1 C4 C5 32.6(2) . . . . ?
C2 Hf1 C4 C5 -79.30(19) . . . . ?
C3 Hf1 C4 C5 -115.1(3) . . . . ?
C14 Hf1 C4 C5 59.1(2) . . . . ?
C13 Hf1 C4 C5 90.45(19) . . . . ?
C2 C1 C5 C4 0.8(3) . . . . ?
C20 C1 C5 C4 175.8(3) . . . . ?
Hf1 C1 C5 C4 -67.88(18) . . . . ?
C2 C1 C5 C6 158.6(3) . . . . ?
C20 C1 C5 C6 -26.4(5) . . . . ?
Hf1 C1 C5 C6 89.9(3) . . . . ?
C2 C1 C5 Hf1 68.70(18) . . . . ?
C20 C1 C5 Hf1 -116.3(3) . . . . ?
C3 C4 C5 C1 -2.3(3) . . . . ?
Hf1 C4 C5 C1 68.25(18) . . . . ?
C3 C4 C5 C6 -162.3(2) . . . . ?
Hf1 C4 C5 C6 -91.7(2) . . . . ?
C3 C4 C5 Hf1 -70.56(19) . . . . ?
Cl1 Hf1 C5 C1 -123.03(16) . . . . ?
Cl2 Hf1 C5 C1 13.51(19) . . . . ?
C7 Hf1 C5 C1 125.7(2) . . . . ?
C4 Hf1 C5 C1 -112.7(3) . . . . ?
C8 Hf1 C5 C1 153.36(18) . . . . ?
C19 Hf1 C5 C1 98.02(18) . . . . ?
C2 Hf1 C5 C1 -37.44(17) . . . . ?
C3 Hf1 C5 C1 -76.30(18) . . . . ?
C14 Hf1 C5 C1 109.07(18) . . . . ?
C13 Hf1 C5 C1 142.76(17) . . . . ?
Cl1 Hf1 C5 C4 -10.3(2) . . . . ?
Cl2 Hf1 C5 C4 126.24(16) . . . . ?
C7 Hf1 C5 C4 -121.5(2) . . . . ?
C1 Hf1 C5 C4 112.7(3) . . . . ?
C8 Hf1 C5 C4 -93.90(19) . . . . ?
C19 Hf1 C5 C4 -149.25(19) . . . . ?
C2 Hf1 C5 C4 75.29(19) . . . . ?
C3 Hf1 C5 C4 36.43(17) . . . . ?
C14 Hf1 C5 C4 -138.20(18) . . . . ?
C13 Hf1 C5 C4 -104.51(18) . . . . ?
Cl1 Hf1 C5 C6 109.01(16) . . . . ?
Cl2 Hf1 C5 C6 -114.45(17) . . . . ?
C7 Hf1 C5 C6 -2.23(17) . . . . ?
C4 Hf1 C5 C6 119.3(3) . . . . ?
C1 Hf1 C5 C6 -128.0(3) . . . . ?
C8 Hf1 C5 C6 25.41(18) . . . . ?
C19 Hf1 C5 C6 -29.93(18) . . . . ?
C2 Hf1 C5 C6 -165.4(2) . . . . ?
C3 Hf1 C5 C6 155.7(2) . . . . ?
C14 Hf1 C5 C6 -18.9(2) . . . . ?
C13 Hf1 C5 C6 14.8(2) . . . . ?
C1 C5 C6 C25 54.7(4) . . . . ?
C4 C5 C6 C25 -150.2(2) . . . . ?
Hf1 C5 C6 C25 132.6(2) . . . . ?
C1 C5 C6 C7 -74.9(4) . . . . ?
C4 C5 C6 C7 80.2(3) . . . . ?
Hf1 C5 C6 C7 3.1(2) . . . . ?
C25 C6 C7 C8 146.0(3) . . . . ?
C5 C6 C7 C8 -84.6(3) . . . . ?
C25 C6 C7 C19 -50.2(4) . . . . ?
C5 C6 C7 C19 79.3(4) . . . . ?
C25 C6 C7 Hf1 -132.5(2) . . . . ?
C5 C6 C7 Hf1 -3.1(2) . . . . ?
Cl1 Hf1 C7 C8 6.36(18) . . . . ?
Cl2 Hf1 C7 C8 -126.31(14) . . . . ?
C5 Hf1 C7 C8 124.62(19) . . . . ?
C4 Hf1 C7 C8 95.53(17) . . . . ?
C1 Hf1 C7 C8 151.98(17) . . . . ?
C19 Hf1 C7 C8 -110.6(2) . . . . ?
C2 Hf1 C7 C8 139.44(16) . . . . ?
C3 Hf1 C7 C8 105.32(16) . . . . ?
C14 Hf1 C7 C8 -74.49(17) . . . . ?
C13 Hf1 C7 C8 -35.78(15) . . . . ?
Cl1 Hf1 C7 C19 117.00(17) . . . . ?
Cl2 Hf1 C7 C19 -15.7(2) . . . . ?
C5 Hf1 C7 C19 -124.7(2) . . . . ?
C4 Hf1 C7 C19 -153.82(19) . . . . ?
C1 Hf1 C7 C19 -97.38(19) . . . . ?
C8 Hf1 C7 C19 110.6(2) . . . . ?
C2 Hf1 C7 C19 -109.91(18) . . . . ?
C3 Hf1 C7 C19 -144.03(17) . . . . ?
C14 Hf1 C7 C19 36.15(17) . . . . ?
C13 Hf1 C7 C19 74.87(18) . . . . ?
Cl1 Hf1 C7 C6 -116.05(17) . . . . ?
Cl2 Hf1 C7 C6 111.29(17) . . . . ?
C5 Hf1 C7 C6 2.21(17) . . . . ?
C4 Hf1 C7 C6 -26.87(18) . . . . ?
C1 Hf1 C7 C6 29.57(19) . . . . ?
C8 Hf1 C7 C6 -122.4(3) . . . . ?
C19 Hf1 C7 C6 127.0(3) . . . . ?
C2 Hf1 C7 C6 17.0(2) . . . . ?
C3 Hf1 C7 C6 -17.1(2) . . . . ?
C14 Hf1 C7 C6 163.1(2) . . . . ?
C13 Hf1 C7 C6 -158.2(2) . . . . ?
C19 C7 C8 C9 179.0(3) . . . . ?
C6 C7 C8 C9 -14.3(5) . . . . ?
Hf1 C7 C8 C9 -107.9(3) . . . . ?
C19 C7 C8 C13 -2.4(3) . . . . ?
C6 C7 C8 C13 164.4(3) . . . . ?
Hf1 C7 C8 C13 70.8(2) . . . . ?
C19 C7 C8 Hf1 -73.1(2) . . . . ?
C6 C7 C8 Hf1 93.6(3) . . . . ?
Cl1 Hf1 C8 C9 -46.6(2) . . . . ?
Cl2 Hf1 C8 C9 -151.02(18) . . . . ?
C7 Hf1 C8 C9 128.2(3) . . . . ?
C5 Hf1 C8 C9 82.7(2) . . . . ?
C4 Hf1 C8 C9 48.5(2) . . . . ?
C1 Hf1 C8 C9 98.3(2) . . . . ?
C19 Hf1 C8 C9 168.1(3) . . . . ?
C2 Hf1 C8 C9 70.2(3) . . . . ?
C3 Hf1 C8 C9 38.6(3) . . . . ?
C14 Hf1 C8 C9 -151.9(3) . . . . ?
C13 Hf1 C8 C9 -116.3(3) . . . . ?
Cl1 Hf1 C8 C7 -174.76(15) . . . . ?
Cl2 Hf1 C8 C7 80.78(17) . . . . ?
C5 Hf1 C8 C7 -45.50(16) . . . . ?
C4 Hf1 C8 C7 -79.73(16) . . . . ?
C1 Hf1 C8 C7 -29.88(18) . . . . ?
C19 Hf1 C8 C7 39.90(15) . . . . ?
C2 Hf1 C8 C7 -58.0(2) . . . . ?
C3 Hf1 C8 C7 -89.63(17) . . . . ?
C14 Hf1 C8 C7 79.91(18) . . . . ?
C13 Hf1 C8 C7 115.5(2) . . . . ?
Cl1 Hf1 C8 C13 69.71(17) . . . . ?
Cl2 Hf1 C8 C13 -34.7(2) . . . . ?
C7 Hf1 C8 C13 -115.5(2) . . . . ?
C5 Hf1 C8 C13 -161.02(19) . . . . ?
C4 Hf1 C8 C13 164.74(19) . . . . ?
C1 Hf1 C8 C13 -145.41(18) . . . . ?
C19 Hf1 C8 C13 -75.62(19) . . . . ?
C2 Hf1 C8 C13 -173.49(17) . . . . ?
C3 Hf1 C8 C13 154.84(17) . . . . ?
C14 Hf1 C8 C13 -35.61(17) . . . . ?
C7 C8 C9 C10 178.8(3) . . . . ?
C13 C8 C9 C10 0.2(4) . . . . ?
Hf1 C8 C9 C10 93.5(3) . . . . ?
C8 C9 C10 C11 -0.7(5) . . . . ?
C9 C10 C11 C12 1.5(5) . . . . ?
C9 C10 C11 C31 -178.1(3) . . . . ?
C10 C11 C12 C13 -1.7(5) . . . . ?
C31 C11 C12 C13 177.9(3) . . . . ?
C11 C12 C13 C8 1.4(5) . . . . ?
C11 C12 C13 C14 -178.9(3) . . . . ?
C11 C12 C13 Hf1 -81.2(4) . . . . ?
C9 C8 C13 C12 -0.5(5) . . . . ?
C7 C8 C13 C12 -179.5(3) . . . . ?
Hf1 C8 C13 C12 -116.3(3) . . . . ?
C9 C8 C13 C14 179.7(3) . . . . ?
C7 C8 C13 C14 0.8(3) . . . . ?
Hf1 C8 C13 C14 63.9(2) . . . . ?
C9 C8 C13 Hf1 115.8(3) . . . . ?
C7 C8 C13 Hf1 -63.1(2) . . . . ?
Cl1 Hf1 C13 C12 6.2(2) . . . . ?
Cl2 Hf1 C13 C12 -90.3(2) . . . . ?
C7 Hf1 C13 C12 152.1(3) . . . . ?
C5 Hf1 C13 C12 134.2(2) . . . . ?
C4 Hf1 C13 C12 97.2(2) . . . . ?
C1 Hf1 C13 C12 163.0(2) . . . . ?
C8 Hf1 C13 C12 114.1(3) . . . . ?
C19 Hf1 C13 C12 -165.6(3) . . . . ?
C2 Hf1 C13 C12 133.5(4) . . . . ?
C3 Hf1 C13 C12 74.4(3) . . . . ?
C14 Hf1 C13 C12 -129.2(3) . . . . ?
Cl1 Hf1 C13 C8 -107.85(18) . . . . ?
Cl2 Hf1 C13 C8 155.66(16) . . . . ?
C7 Hf1 C13 C8 38.01(18) . . . . ?
C5 Hf1 C13 C8 20.1(2) . . . . ?
C4 Hf1 C13 C8 -16.8(2) . . . . ?
C1 Hf1 C13 C8 49.0(2) . . . . ?
C19 Hf1 C13 C8 80.3(2) . . . . ?
C2 Hf1 C13 C8 19.4(5) . . . . ?
C3 Hf1 C13 C8 -39.6(3) . . . . ?
C14 Hf1 C13 C8 116.7(3) . . . . ?
Cl1 Hf1 C13 C14 135.46(18) . . . . ?
Cl2 Hf1 C13 C14 38.96(18) . . . . ?
C7 Hf1 C13 C14 -78.69(19) . . . . ?
C5 Hf1 C13 C14 -96.59(18) . . . . ?
C4 Hf1 C13 C14 -133.54(17) . . . . ?
C1 Hf1 C13 C14 -67.7(2) . . . . ?
C8 Hf1 C13 C14 -116.7(3) . . . . ?
C19 Hf1 C13 C14 -36.35(17) . . . . ?
C2 Hf1 C13 C14 -97.3(4) . . . . ?
C3 Hf1 C13 C14 -156.32(18) . . . . ?
C12 C13 C14 C15 -0.1(6) . . . . ?
C8 C13 C14 C15 179.6(3) . . . . ?
Hf1 C13 C14 C15 -120.5(3) . . . . ?
C12 C13 C14 C19 -178.6(3) . . . . ?
C8 C13 C14 C19 1.2(3) . . . . ?
Hf1 C13 C14 C19 61.1(2) . . . . ?
C12 C13 C14 Hf1 120.3(4) . . . . ?
C8 C13 C14 Hf1 -59.9(2) . . . . ?
Cl1 Hf1 C14 C15 84.3(3) . . . . ?
Cl2 Hf1 C14 C15 -13.8(2) . . . . ?
C7 Hf1 C14 C15 -152.2(3) . . . . ?
C5 Hf1 C14 C15 -134.7(2) . . . . ?
C4 Hf1 C14 C15 -165.8(2) . . . . ?
C1 Hf1 C14 C15 -97.9(3) . . . . ?
C8 Hf1 C14 C15 165.6(3) . . . . ?
C19 Hf1 C14 C15 -113.9(3) . . . . ?
C2 Hf1 C14 C15 -77.2(3) . . . . ?
C3 Hf1 C14 C15 -152.9(4) . . . . ?
C13 Hf1 C14 C15 129.4(3) . . . . ?
Cl1 Hf1 C14 C19 -161.81(18) . . . . ?
Cl2 Hf1 C14 C19 100.11(19) . . . . ?
C7 Hf1 C14 C19 -38.34(19) . . . . ?
C5 Hf1 C14 C19 -20.9(2) . . . . ?
C4 Hf1 C14 C19 -52.0(2) . . . . ?
C1 Hf1 C14 C19 15.9(2) . . . . ?
C8 Hf1 C14 C19 -80.5(2) . . . . ?
C2 Hf1 C14 C19 36.6(3) . . . . ?
C3 Hf1 C14 C19 -39.0(5) . . . . ?
C13 Hf1 C14 C19 -116.7(3) . . . . ?
Cl1 Hf1 C14 C13 -45.11(18) . . . . ?
Cl2 Hf1 C14 C13 -143.20(18) . . . . ?
C7 Hf1 C14 C13 78.4(2) . . . . ?
C5 Hf1 C14 C13 95.83(19) . . . . ?
C4 Hf1 C14 C13 64.7(2) . . . . ?
C1 Hf1 C14 C13 132.64(18) . . . . ?
C8 Hf1 C14 C13 36.21(17) . . . . ?
C19 Hf1 C14 C13 116.7(3) . . . . ?
C2 Hf1 C14 C13 153.32(19) . . . . ?
C3 Hf1 C14 C13 77.7(4) . . . . ?
C19 C14 C15 C16 -0.3(5) . . . . ?
C13 C14 C15 C16 -178.6(3) . . . . ?
Hf1 C14 C15 C16 82.9(3) . . . . ?
C14 C15 C16 C17 1.9(4) . . . . ?
C14 C15 C16 C35 -177.8(3) . . . . ?
C15 C16 C17 C18 -1.5(5) . . . . ?
C35 C16 C17 C18 178.3(3) . . . . ?
C16 C17 C18 C19 -0.7(5) . . . . ?
C17 C18 C19 C14 2.3(5) . . . . ?
C17 C18 C19 C7 -178.4(3) . . . . ?
C17 C18 C19 Hf1 -90.9(3) . . . . ?
C15 C14 C19 C18 -1.8(5) . . . . ?
C13 C14 C19 C18 176.9(3) . . . . ?
Hf1 C14 C19 C18 -118.2(3) . . . . ?
C15 C14 C19 C7 178.7(3) . . . . ?
C13 C14 C19 C7 -2.6(4) . . . . ?
Hf1 C14 C19 C7 62.4(2) . . . . ?
C15 C14 C19 Hf1 116.3(3) . . . . ?
C13 C14 C19 Hf1 -65.0(2) . . . . ?
C8 C7 C19 C18 -176.3(3) . . . . ?
C6 C7 C19 C18 17.7(6) . . . . ?
Hf1 C7 C19 C18 110.9(4) . . . . ?
C8 C7 C19 C14 3.1(3) . . . . ?
C6 C7 C19 C14 -162.9(3) . . . . ?
Hf1 C7 C19 C14 -69.7(2) . . . . ?
C8 C7 C19 Hf1 72.8(2) . . . . ?
C6 C7 C19 Hf1 -93.2(3) . . . . ?
Cl1 Hf1 C19 C18 140.21(19) . . . . ?
Cl2 Hf1 C19 C18 37.6(2) . . . . ?
C7 Hf1 C19 C18 -129.3(3) . . . . ?
C5 Hf1 C19 C18 -83.9(2) . . . . ?
C4 Hf1 C19 C18 -101.8(2) . . . . ?
C1 Hf1 C19 C18 -50.2(2) . . . . ?
C8 Hf1 C19 C18 -169.0(3) . . . . ?
C2 Hf1 C19 C18 -42.8(3) . . . . ?
C3 Hf1 C19 C18 -77.2(3) . . . . ?
C14 Hf1 C19 C18 115.7(3) . . . . ?
C13 Hf1 C19 C18 151.2(3) . . . . ?
Cl1 Hf1 C19 C14 24.5(2) . . . . ?
Cl2 Hf1 C19 C14 -78.13(18) . . . . ?
C7 Hf1 C19 C14 115.0(3) . . . . ?
C5 Hf1 C19 C14 160.3(2) . . . . ?
C4 Hf1 C19 C14 142.53(18) . . . . ?
C1 Hf1 C19 C14 -165.9(2) . . . . ?
C8 Hf1 C19 C14 75.2(2) . . . . ?
C2 Hf1 C19 C14 -158.53(18) . . . . ?
C3 Hf1 C19 C14 167.07(17) . . . . ?
C13 Hf1 C19 C14 35.52(17) . . . . ?
Cl1 Hf1 C19 C7 -90.46(18) . . . . ?
Cl2 Hf1 C19 C7 166.91(17) . . . . ?
C5 Hf1 C19 C7 45.39(18) . . . . ?
C4 Hf1 C19 C7 27.6(2) . . . . ?
C1 Hf1 C19 C7 79.10(19) . . . . ?
C8 Hf1 C19 C7 -39.71(17) . . . . ?
C2 Hf1 C19 C7 86.5(2) . . . . ?
C3 Hf1 C19 C7 52.1(2) . . . . ?
C14 Hf1 C19 C7 -115.0(3) . . . . ?
C13 Hf1 C19 C7 -79.4(2) . . . . ?
C2 C3 C21 C24 173.8(3) . . . . ?
C4 C3 C21 C24 -17.8(4) . . . . ?
Hf1 C3 C21 C24 75.0(3) . . . . ?
C2 C3 C21 C22 49.5(4) . . . . ?
C4 C3 C21 C22 -142.1(3) . . . . ?
Hf1 C3 C21 C22 -49.2(4) . . . . ?
C2 C3 C21 C23 -67.5(4) . . . . ?
C4 C3 C21 C23 100.8(4) . . . . ?
Hf1 C3 C21 C23 -166.3(2) . . . . ?
C5 C6 C25 C30 -150.3(3) . . . . ?
C7 C6 C25 C30 -28.5(4) . . . . ?
C5 C6 C25 C26 35.0(4) . . . . ?
C7 C6 C25 C26 156.8(3) . . . . ?
C30 C25 C26 C27 0.9(5) . . . . ?
C6 C25 C26 C27 175.7(3) . . . . ?
C25 C26 C27 C28 -1.2(5) . . . . ?
C26 C27 C28 C29 0.8(5) . . . . ?
C27 C28 C29 C30 0.0(5) . . . . ?
C28 C29 C30 C25 -0.3(5) . . . . ?
C26 C25 C30 C29 -0.1(5) . . . . ?
C6 C25 C30 C29 -174.8(3) . . . . ?
C12 C11 C31 C32 -169.1(3) . . . . ?
C10 C11 C31 C32 10.5(4) . . . . ?
C12 C11 C31 C34 -49.1(4) . . . . ?
C10 C11 C31 C34 130.5(3) . . . . ?
C12 C11 C31 C33 70.6(4) . . . . ?
C10 C11 C31 C33 -109.8(3) . . . . ?
C15 C16 C35 C37 -6.0(4) . . . . ?
C17 C16 C35 C37 174.3(3) . . . . ?
C15 C16 C35 C38 113.8(3) . . . . ?
C17 C16 C35 C38 -66.0(4) . . . . ?
C15 C16 C35 C36 -127.6(3) . . . . ?
C17 C16 C35 C36 52.7(4) . . . . ?
Cl51 Hf51 C51 C55 -92.11(18) . . . . ?
Cl52 Hf51 C51 C55 167.61(17) . . . . ?
C57 Hf51 C51 C55 44.91(18) . . . . ?
C54 Hf51 C51 C55 -38.39(17) . . . . ?
C58 Hf51 C51 C55 27.9(2) . . . . ?
C69 Hf51 C51 C55 78.38(18) . . . . ?
C52 Hf51 C51 C55 -113.3(3) . . . . ?
C53 Hf51 C51 C55 -78.51(19) . . . . ?
C64 Hf51 C51 C55 86.43(19) . . . . ?
C63 Hf51 C51 C55 52.6(2) . . . . ?
Cl51 Hf51 C51 C52 21.2(2) . . . . ?
Cl52 Hf51 C51 C52 -79.08(17) . . . . ?
C57 Hf51 C51 C52 158.22(19) . . . . ?
C55 Hf51 C51 C52 113.3(3) . . . . ?
C54 Hf51 C51 C52 74.92(19) . . . . ?
C58 Hf51 C51 C52 141.26(18) . . . . ?
C69 Hf51 C51 C52 -168.31(19) . . . . ?
C53 Hf51 C51 C52 34.80(16) . . . . ?
C64 Hf51 C51 C52 -160.26(17) . . . . ?
C63 Hf51 C51 C52 165.87(17) . . . . ?
Cl51 Hf51 C51 C70 141.19(18) . . . . ?
Cl52 Hf51 C51 C70 40.9(2) . . . . ?
C57 Hf51 C51 C70 -81.8(2) . . . . ?
C55 Hf51 C51 C70 -126.7(3) . . . . ?
C54 Hf51 C51 C70 -165.1(3) . . . . ?
C58 Hf51 C51 C70 -98.8(2) . . . . ?
C69 Hf51 C51 C70 -48.3(2) . . . . ?
C52 Hf51 C51 C70 120.0(3) . . . . ?
C53 Hf51 C51 C70 154.8(3) . . . . ?
C64 Hf51 C51 C70 -40.3(2) . . . . ?
C63 Hf51 C51 C70 -74.1(3) . . . . ?
C55 C51 C52 C53 -0.4(4) . . . . ?
C70 C51 C52 C53 176.6(3) . . . . ?
Hf51 C51 C52 C53 -66.1(2) . . . . ?
C55 C51 C52 Hf51 65.7(2) . . . . ?
C70 C51 C52 Hf51 -117.3(3) . . . . ?
Cl51 Hf51 C52 C53 -47.86(16) . . . . ?
Cl52 Hf51 C52 C53 -144.88(15) . . . . ?
C57 Hf51 C52 C53 94.53(17) . . . . ?
C55 Hf51 C52 C53 79.10(17) . . . . ?
C54 Hf51 C52 C53 37.08(15) . . . . ?
C51 Hf51 C52 C53 117.8(2) . . . . ?
C58 Hf51 C52 C53 63.3(2) . . . . ?
C69 Hf51 C52 C53 131.38(16) . . . . ?
C64 Hf51 C52 C53 152.77(17) . . . . ?
C63 Hf51 C52 C53 73.8(4) . . . . ?
Cl51 Hf51 C52 C51 -165.67(16) . . . . ?
Cl52 Hf51 C52 C51 97.30(18) . . . . ?
C57 Hf51 C52 C51 -23.3(2) . . . . ?
C55 Hf51 C52 C51 -38.72(17) . . . . ?
C54 Hf51 C52 C51 -80.74(19) . . . . ?
C58 Hf51 C52 C51 -54.6(2) . . . . ?
C69 Hf51 C52 C51 13.6(2) . . . . ?
C53 Hf51 C52 C51 -117.8(2) . . . . ?
C64 Hf51 C52 C51 35.0(3) . . . . ?
C63 Hf51 C52 C51 -44.0(5) . . . . ?
C51 C52 C53 C54 2.2(3) . . . . ?
Hf51 C52 C53 C54 -60.3(2) . . . . ?
C51 C52 C53 C71 -168.3(3) . . . . ?
Hf51 C52 C53 C71 129.2(3) . . . . ?
C51 C52 C53 Hf51 62.5(2) . . . . ?
Cl51 Hf51 C53 C52 134.83(15) . . . . ?
Cl52 Hf51 C53 C52 36.51(16) . . . . ?
C57 Hf51 C53 C52 -98.29(17) . . . . ?
C55 Hf51 C53 C52 -77.98(18) . . . . ?
C54 Hf51 C53 C52 -115.8(2) . . . . ?
C51 Hf51 C53 C52 -36.31(15) . . . . ?
C58 Hf51 C53 C52 -135.00(16) . . . . ?
C69 Hf51 C53 C52 -71.3(2) . . . . ?
C64 Hf51 C53 C52 -104.9(4) . . . . ?
C63 Hf51 C53 C52 -157.50(16) . . . . ?
Cl51 Hf51 C53 C54 -109.33(18) . . . . ?
Cl52 Hf51 C53 C54 152.34(17) . . . . ?
C57 Hf51 C53 C54 17.5(2) . . . . ?
C55 Hf51 C53 C54 37.85(18) . . . . ?
C51 Hf51 C53 C54 79.52(19) . . . . ?
C58 Hf51 C53 C54 -19.2(2) . . . . ?
C69 Hf51 C53 C54 44.5(2) . . . . ?
C52 Hf51 C53 C54 115.8(2) . . . . ?
C64 Hf51 C53 C54 10.9(5) . . . . ?
C63 Hf51 C53 C54 -41.7(2) . . . . ?
Cl51 Hf51 C53 C71 11.5(3) . . . . ?
Cl52 Hf51 C53 C71 -86.8(3) . . . . ?
C57 Hf51 C53 C71 138.4(3) . . . . ?
C55 Hf51 C53 C71 158.7(3) . . . . ?
C54 Hf51 C53 C71 120.9(4) . . . . ?
C51 Hf51 C53 C71 -159.6(3) . . . . ?
C58 Hf51 C53 C71 101.7(3) . . . . ?
C69 Hf51 C53 C71 165.4(2) . . . . ?
C52 Hf51 C53 C71 -123.3(3) . . . . ?
C64 Hf51 C53 C71 131.8(4) . . . . ?
C63 Hf51 C53 C71 79.2(3) . . . . ?
C52 C53 C54 C55 -3.2(3) . . . . ?
C71 C53 C54 C55 167.2(3) . . . . ?
Hf51 C53 C54 C55 -66.2(2) . . . . ?
C52 C53 C54 Hf51 62.9(2) . . . . ?
C71 C53 C54 Hf51 -126.6(3) . . . . ?
Cl51 Hf51 C54 C55 -173.57(16) . . . . ?
Cl52 Hf51 C54 C55 76.52(19) . . . . ?
C57 Hf51 C54 C55 -48.07(18) . . . . ?
C51 Hf51 C54 C55 38.38(17) . . . . ?
C58 Hf51 C54 C55 -82.15(18) . . . . ?
C69 Hf51 C54 C55 -33.9(2) . . . . ?
C52 Hf51 C54 C55 79.27(19) . . . . ?
C53 Hf51 C54 C55 115.3(3) . . . . ?
C64 Hf51 C54 C55 -61.1(2) . . . . ?
C63 Hf51 C54 C55 -91.46(19) . . . . ?
Cl51 Hf51 C54 C53 71.15(18) . . . . ?
Cl52 Hf51 C54 C53 -38.8(2) . . . . ?
C57 Hf51 C54 C53 -163.4(2) . . . . ?
C55 Hf51 C54 C53 -115.3(3) . . . . ?
C51 Hf51 C54 C53 -76.90(19) . . . . ?
C58 Hf51 C54 C53 162.57(19) . . . . ?
C69 Hf51 C54 C53 -149.23(18) . . . . ?
C52 Hf51 C54 C53 -36.02(17) . . . . ?
C64 Hf51 C54 C53 -176.36(17) . . . . ?
C63 Hf51 C54 C53 153.26(17) . . . . ?
C52 C51 C55 C54 -1.5(3) . . . . ?
C70 C51 C55 C54 -178.3(3) . . . . ?
Hf51 C51 C55 C54 67.5(2) . . . . ?
C52 C51 C55 C56 -158.7(3) . . . . ?
C70 C51 C55 C56 24.6(5) . . . . ?
Hf51 C51 C55 C56 -89.6(3) . . . . ?
C52 C51 C55 Hf51 -69.0(2) . . . . ?
C70 C51 C55 Hf51 114.2(3) . . . . ?
C53 C54 C55 C51 3.0(3) . . . . ?
Hf51 C54 C55 C51 -67.7(2) . . . . ?
C53 C54 C55 C56 162.2(2) . . . . ?
Hf51 C54 C55 C56 91.5(2) . . . . ?
C53 C54 C55 Hf51 70.7(2) . . . . ?
Cl51 Hf51 C55 C51 121.70(16) . . . . ?
Cl52 Hf51 C55 C51 -14.3(2) . . . . ?
C57 Hf51 C55 C51 -125.4(2) . . . . ?
C54 Hf51 C55 C51 113.3(3) . . . . ?
C58 Hf51 C55 C51 -153.62(19) . . . . ?
C69 Hf51 C55 C51 -98.55(19) . . . . ?
C52 Hf51 C55 C51 37.84(17) . . . . ?
C53 Hf51 C55 C51 76.87(19) . . . . ?
C64 Hf51 C55 C51 -109.97(18) . . . . ?
C63 Hf51 C55 C51 -143.55(17) . . . . ?
Cl51 Hf51 C55 C54 8.4(2) . . . . ?
Cl52 Hf51 C55 C54 -127.61(16) . . . . ?
C57 Hf51 C55 C54 121.3(2) . . . . ?
C51 Hf51 C55 C54 -113.3(3) . . . . ?
C58 Hf51 C55 C54 93.04(18) . . . . ?
C69 Hf51 C55 C54 148.11(19) . . . . ?
C52 Hf51 C55 C54 -75.50(19) . . . . ?
C53 Hf51 C55 C54 -36.48(17) . . . . ?
C64 Hf51 C55 C54 136.68(17) . . . . ?
C63 Hf51 C55 C54 103.10(18) . . . . ?
Cl51 Hf51 C55 C56 -111.02(18) . . . . ?
Cl52 Hf51 C55 C56 113.01(18) . . . . ?
C57 Hf51 C55 C56 1.88(18) . . . . ?
C54 Hf51 C55 C56 -119.4(3) . . . . ?
C51 Hf51 C55 C56 127.3(3) . . . . ?
C58 Hf51 C55 C56 -26.34(19) . . . . ?
C69 Hf51 C55 C56 28.73(19) . . . . ?
C52 Hf51 C55 C56 165.1(2) . . . . ?
C53 Hf51 C55 C56 -155.9(2) . . . . ?
C64 Hf51 C55 C56 17.3(2) . . . . ?
C63 Hf51 C55 C56 -16.3(2) . . . . ?
C51 C55 C56 C75 -55.9(4) . . . . ?
C54 C55 C56 C75 149.7(3) . . . . ?
Hf51 C55 C56 C75 -133.4(2) . . . . ?
C51 C55 C56 C57 74.9(4) . . . . ?
C54 C55 C56 C57 -79.5(3) . . . . ?
Hf51 C55 C56 C57 -2.6(2) . . . . ?
C75 C56 C57 C58 -146.9(3) . . . . ?
C55 C56 C57 C58 83.2(3) . . . . ?
C75 C56 C57 C69 50.3(4) . . . . ?
C55 C56 C57 C69 -79.6(4) . . . . ?
C75 C56 C57 Hf51 132.5(2) . . . . ?
C55 C56 C57 Hf51 2.6(2) . . . . ?
Cl51 Hf51 C57 C58 -4.1(2) . . . . ?
Cl52 Hf51 C57 C58 128.79(16) . . . . ?
C55 Hf51 C57 C58 -123.4(2) . . . . ?
C54 Hf51 C57 C58 -94.40(19) . . . . ?
C51 Hf51 C57 C58 -150.78(19) . . . . ?
C69 Hf51 C57 C58 109.7(3) . . . . ?
C52 Hf51 C57 C58 -138.14(18) . . . . ?
C53 Hf51 C57 C58 -103.93(19) . . . . ?
C64 Hf51 C57 C58 74.10(19) . . . . ?
C63 Hf51 C57 C58 35.76(17) . . . . ?
Cl51 Hf51 C57 C69 -113.87(17) . . . . ?
Cl52 Hf51 C57 C69 19.0(2) . . . . ?
C55 Hf51 C57 C69 126.9(2) . . . . ?
C54 Hf51 C57 C69 155.9(2) . . . . ?
C51 Hf51 C57 C69 99.5(2) . . . . ?
C58 Hf51 C57 C69 -109.7(3) . . . . ?
C52 Hf51 C57 C69 112.11(19) . . . . ?
C53 Hf51 C57 C69 146.32(18) . . . . ?
C64 Hf51 C57 C69 -35.65(18) . . . . ?
C63 Hf51 C57 C69 -73.99(19) . . . . ?
Cl51 Hf51 C57 C56 117.38(18) . . . . ?
Cl52 Hf51 C57 C56 -109.70(18) . . . . ?
C55 Hf51 C57 C56 -1.89(18) . . . . ?
C54 Hf51 C57 C56 27.11(19) . . . . ?
C51 Hf51 C57 C56 -29.27(19) . . . . ?
C58 Hf51 C57 C56 121.5(3) . . . . ?
C69 Hf51 C57 C56 -128.7(3) . . . . ?
C52 Hf51 C57 C56 -16.6(2) . . . . ?
C53 Hf51 C57 C56 17.6(2) . . . . ?
C64 Hf51 C57 C56 -164.4(2) . . . . ?
C63 Hf51 C57 C56 157.3(2) . . . . ?
C69 C57 C58 C59 -179.3(3) . . . . ?
C56 C57 C58 C59 14.4(5) . . . . ?
Hf51 C57 C58 C59 107.8(3) . . . . ?
C69 C57 C58 C63 2.4(3) . . . . ?
C56 C57 C58 C63 -163.9(3) . . . . ?
Hf51 C57 C58 C63 -70.5(2) . . . . ?
C69 C57 C58 Hf51 72.88(19) . . . . ?
C56 C57 C58 Hf51 -93.4(3) . . . . ?
Cl51 Hf51 C58 C59 48.1(2) . . . . ?
Cl52 Hf51 C58 C59 154.20(19) . . . . ?
C57 Hf51 C58 C59 -128.5(3) . . . . ?
C55 Hf51 C58 C59 -82.1(2) . . . . ?
C54 Hf51 C58 C59 -48.0(2) . . . . ?
C51 Hf51 C58 C59 -97.5(2) . . . . ?
C69 Hf51 C58 C59 -168.9(3) . . . . ?
C52 Hf51 C58 C59 -69.0(3) . . . . ?
C53 Hf51 C58 C59 -37.8(3) . . . . ?
C64 Hf51 C58 C59 151.0(3) . . . . ?
C63 Hf51 C58 C59 115.8(3) . . . . ?
Cl51 Hf51 C58 C63 -67.71(18) . . . . ?
Cl52 Hf51 C58 C63 38.4(2) . . . . ?
C57 Hf51 C58 C63 115.6(3) . . . . ?
C55 Hf51 C58 C63 162.1(2) . . . . ?
C54 Hf51 C58 C63 -163.87(19) . . . . ?
C51 Hf51 C58 C63 146.70(18) . . . . ?
C69 Hf51 C58 C63 75.32(19) . . . . ?
C52 Hf51 C58 C63 175.15(17) . . . . ?
C53 Hf51 C58 C63 -153.59(17) . . . . ?
C64 Hf51 C58 C63 35.19(17) . . . . ?
Cl51 Hf51 C58 C57 176.66(17) . . . . ?
Cl52 Hf51 C58 C57 -77.3(2) . . . . ?
C55 Hf51 C58 C57 46.43(18) . . . . ?
C54 Hf51 C58 C57 80.50(18) . . . . ?
C51 Hf51 C58 C57 31.1(2) . . . . ?
C69 Hf51 C58 C57 -40.31(17) . . . . ?
C52 Hf51 C58 C57 59.5(2) . . . . ?
C53 Hf51 C58 C57 90.78(19) . . . . ?
C64 Hf51 C58 C57 -80.44(19) . . . . ?
C63 Hf51 C58 C57 -115.6(3) . . . . ?
C63 C58 C59 C60 -1.5(4) . . . . ?
C57 C58 C59 C60 -179.7(3) . . . . ?
Hf51 C58 C59 C60 -93.9(3) . . . . ?
C58 C59 C60 C61 1.0(5) . . . . ?
C59 C60 C61 C62 -1.0(5) . . . . ?
C59 C60 C61 C81 179.1(3) . . . . ?
C60 C61 C62 C63 1.5(4) . . . . ?
C81 C61 C62 C63 -178.6(3) . . . . ?
C61 C62 C63 C64 179.0(3) . . . . ?
C61 C62 C63 C58 -2.1(4) . . . . ?
C61 C62 C63 Hf51 81.0(3) . . . . ?
C59 C58 C63 C62 2.1(4) . . . . ?
C57 C58 C63 C62 -179.3(3) . . . . ?
Hf51 C58 C63 C62 117.1(3) . . . . ?
C59 C58 C63 C64 -178.8(3) . . . . ?
C57 C58 C63 C64 -0.2(3) . . . . ?
Hf51 C58 C63 C64 -63.8(2) . . . . ?
C59 C58 C63 Hf51 -115.1(3) . . . . ?
C57 C58 C63 Hf51 63.5(2) . . . . ?
Cl51 Hf51 C63 C62 -3.7(2) . . . . ?
Cl52 Hf51 C63 C62 92.8(2) . . . . ?
C57 Hf51 C63 C62 -151.9(3) . . . . ?
C55 Hf51 C63 C62 -132.9(2) . . . . ?
C54 Hf51 C63 C62 -96.3(2) . . . . ?
C51 Hf51 C63 C62 -161.2(2) . . . . ?
C58 Hf51 C63 C62 -113.9(3) . . . . ?
C69 Hf51 C63 C62 165.8(3) . . . . ?
C52 Hf51 C63 C62 -128.2(4) . . . . ?
C53 Hf51 C63 C62 -73.0(3) . . . . ?
C64 Hf51 C63 C62 128.9(3) . . . . ?
Cl51 Hf51 C63 C64 -132.61(16) . . . . ?
Cl52 Hf51 C63 C64 -36.16(17) . . . . ?
C57 Hf51 C63 C64 79.16(18) . . . . ?
C55 Hf51 C63 C64 98.18(17) . . . . ?
C54 Hf51 C63 C64 134.82(16) . . . . ?
C51 Hf51 C63 C64 69.9(2) . . . . ?
C58 Hf51 C63 C64 117.2(3) . . . . ?
C69 Hf51 C63 C64 36.83(16) . . . . ?
C52 Hf51 C63 C64 102.8(4) . . . . ?
C53 Hf51 C63 C64 158.07(16) . . . . ?
Cl51 Hf51 C63 C58 110.23(18) . . . . ?
Cl52 Hf51 C63 C58 -153.32(17) . . . . ?
C57 Hf51 C63 C58 -38.00(18) . . . . ?
C55 Hf51 C63 C58 -19.0(2) . . . . ?
C54 Hf51 C63 C58 17.7(2) . . . . ?
C51 Hf51 C63 C58 -47.3(2) . . . . ?
C69 Hf51 C63 C58 -80.32(19) . . . . ?
C52 Hf51 C63 C58 -14.3(5) . . . . ?
C53 Hf51 C63 C58 40.9(2) . . . . ?
C64 Hf51 C63 C58 -117.2(3) . . . . ?
C62 C63 C64 C65 -1.7(5) . . . . ?
C58 C63 C64 C65 179.3(3) . . . . ?
Hf51 C63 C64 C65 119.3(3) . . . . ?
C62 C63 C64 C69 176.9(3) . . . . ?
C58 C63 C64 C69 -2.1(3) . . . . ?
Hf51 C63 C64 C69 -62.1(2) . . . . ?
C62 C63 C64 Hf51 -121.0(3) . . . . ?
C58 C63 C64 Hf51 60.0(2) . . . . ?
Cl51 Hf51 C64 C65 -81.4(2) . . . . ?
Cl52 Hf51 C64 C65 16.9(2) . . . . ?
C57 Hf51 C64 C65 152.6(3) . . . . ?
C55 Hf51 C64 C65 136.5(2) . . . . ?
C54 Hf51 C64 C65 168.2(2) . . . . ?
C51 Hf51 C64 C65 99.6(3) . . . . ?
C58 Hf51 C64 C65 -165.3(3) . . . . ?
C69 Hf51 C64 C65 114.8(3) . . . . ?
C52 Hf51 C64 C65 78.6(3) . . . . ?
C53 Hf51 C64 C65 160.1(3) . . . . ?
C63 Hf51 C64 C65 -129.1(3) . . . . ?
Cl51 Hf51 C64 C63 47.76(16) . . . . ?
Cl52 Hf51 C64 C63 146.06(16) . . . . ?
C57 Hf51 C64 C63 -78.29(18) . . . . ?
C55 Hf51 C64 C63 -94.40(18) . . . . ?
C54 Hf51 C64 C63 -62.6(2) . . . . ?
C51 Hf51 C64 C63 -131.27(16) . . . . ?
C58 Hf51 C64 C63 -36.12(16) . . . . ?
C69 Hf51 C64 C63 -116.0(2) . . . . ?
C52 Hf51 C64 C63 -152.29(18) . . . . ?
C53 Hf51 C64 C63 -70.7(4) . . . . ?
Cl51 Hf51 C64 C69 163.78(16) . . . . ?
Cl52 Hf51 C64 C69 -97.92(17) . . . . ?
C57 Hf51 C64 C69 37.73(17) . . . . ?
C55 Hf51 C64 C69 21.6(2) . . . . ?
C54 Hf51 C64 C69 53.4(2) . . . . ?
C51 Hf51 C64 C69 -15.3(2) . . . . ?
C58 Hf51 C64 C69 79.90(19) . . . . ?
C52 Hf51 C64 C69 -36.3(3) . . . . ?
C53 Hf51 C64 C69 45.3(5) . . . . ?
C63 Hf51 C64 C69 116.0(2) . . . . ?
C63 C64 C65 C66 177.0(3) . . . . ?
C69 C64 C65 C66 -1.5(4) . . . . ?
Hf51 C64 C65 C66 -85.4(3) . . . . ?
C64 C65 C66 C67 -1.2(4) . . . . ?
C64 C65 C66 C85 177.4(3) . . . . ?
C65 C66 C67 C68 2.6(4) . . . . ?
C85 C66 C67 C68 -176.1(3) . . . . ?
C66 C67 C68 C69 -1.2(5) . . . . ?
C67 C68 C69 C64 -1.6(4) . . . . ?
C67 C68 C69 C57 179.1(3) . . . . ?
C67 C68 C69 Hf51 90.8(3) . . . . ?
C65 C64 C69 C68 2.9(4) . . . . ?
C63 C64 C69 C68 -175.9(3) . . . . ?
Hf51 C64 C69 C68 118.5(3) . . . . ?
C65 C64 C69 C57 -177.6(3) . . . . ?
C63 C64 C69 C57 3.6(3) . . . . ?
Hf51 C64 C69 C57 -62.0(2) . . . . ?
C65 C64 C69 Hf51 -115.6(3) . . . . ?
C63 C64 C69 Hf51 65.6(2) . . . . ?
C58 C57 C69 C68 175.7(3) . . . . ?
C56 C57 C69 C68 -19.3(5) . . . . ?
Hf51 C57 C69 C68 -112.1(3) . . . . ?
C58 C57 C69 C64 -3.7(3) . . . . ?
C56 C57 C69 C64 161.3(3) . . . . ?
Hf51 C57 C69 C64 68.6(2) . . . . ?
C58 C57 C69 Hf51 -72.25(19) . . . . ?
C56 C57 C69 Hf51 92.8(3) . . . . ?
Cl51 Hf51 C69 C68 -136.7(2) . . . . ?
Cl52 Hf51 C69 C68 -34.9(2) . . . . ?
C57 Hf51 C69 C68 128.9(3) . . . . ?
C55 Hf51 C69 C68 85.1(2) . . . . ?
C54 Hf51 C69 C68 103.5(2) . . . . ?
C51 Hf51 C69 C68 51.7(2) . . . . ?
C58 Hf51 C69 C68 169.2(3) . . . . ?
C52 Hf51 C69 C68 44.3(3) . . . . ?
C53 Hf51 C69 C68 79.6(3) . . . . ?
C64 Hf51 C69 C68 -115.1(3) . . . . ?
C63 Hf51 C69 C68 -150.8(3) . . . . ?
Cl51 Hf51 C69 C64 -21.6(2) . . . . ?
Cl52 Hf51 C69 C64 80.11(17) . . . . ?
C57 Hf51 C69 C64 -116.0(3) . . . . ?
C55 Hf51 C69 C64 -159.81(19) . . . . ?
C54 Hf51 C69 C64 -141.47(17) . . . . ?
C51 Hf51 C69 C64 166.71(19) . . . . ?
C58 Hf51 C69 C64 -75.73(19) . . . . ?
C52 Hf51 C69 C64 159.34(17) . . . . ?
C53 Hf51 C69 C64 -165.32(17) . . . . ?
C63 Hf51 C69 C64 -35.72(17) . . . . ?
Cl51 Hf51 C69 C57 94.38(19) . . . . ?
Cl52 Hf51 C69 C57 -163.86(18) . . . . ?
C55 Hf51 C69 C57 -43.78(19) . . . . ?
C54 Hf51 C69 C57 -25.4(2) . . . . ?
C51 Hf51 C69 C57 -77.26(19) . . . . ?
C58 Hf51 C69 C57 40.30(18) . . . . ?
C52 Hf51 C69 C57 -84.6(2) . . . . ?
C53 Hf51 C69 C57 -49.3(2) . . . . ?
C64 Hf51 C69 C57 116.0(3) . . . . ?
C63 Hf51 C69 C57 80.3(2) . . . . ?
C52 C53 C71 C72 -172.3(3) . . . . ?
C54 C53 C71 C72 19.2(4) . . . . ?
Hf51 C53 C71 C72 -73.7(3) . . . . ?
C52 C53 C71 C74 -48.8(4) . . . . ?
C54 C53 C71 C74 142.7(3) . . . . ?
Hf51 C53 C71 C74 49.7(4) . . . . ?
C52 C53 C71 C73 69.0(4) . . . . ?
C54 C53 C71 C73 -99.5(4) . . . . ?
Hf51 C53 C71 C73 167.6(2) . . . . ?
C57 C56 C75 C80 -159.5(3) . . . . ?
C55 C56 C75 C80 -36.9(4) . . . . ?
C57 C56 C75 C76 25.2(4) . . . . ?
C55 C56 C75 C76 147.8(3) . . . . ?
C80 C75 C76 C77 1.1(5) . . . . ?
C56 C75 C76 C77 176.4(3) . . . . ?
C75 C76 C77 C78 -0.9(5) . . . . ?
C76 C77 C78 C79 0.6(5) . . . . ?
C77 C78 C79 C80 -0.5(5) . . . . ?
C76 C75 C80 C79 -1.0(5) . . . . ?
C56 C75 C80 C79 -176.5(3) . . . . ?
C78 C79 C80 C75 0.7(5) . . . . ?
C62 C61 C81 C82 -65.8(4) . . . . ?
C60 C61 C81 C82 114.1(3) . . . . ?
C62 C61 C81 C83 173.3(3) . . . . ?
C60 C61 C81 C83 -6.8(4) . . . . ?
C62 C61 C81 C84 53.5(4) . . . . ?
C60 C61 C81 C84 -126.6(3) . . . . ?
C65 C66 C85 C86 124.7(3) . . . . ?
C67 C66 C85 C86 -56.6(4) . . . . ?
C65 C66 C85 C87 4.2(4) . . . . ?
C67 C66 C85 C87 -177.1(3) . . . . ?
C65 C66 C85 C88 -114.5(3) . . . . ?
C67 C66 C85 C88 64.1(3) . . . . ?
