#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:13:48 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178694 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/05/4080564.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_4080564
loop_
_publ_author_name
'Miyazaki, Takamasa'
'Tanabe, Yoshiaki'
'Yuki, Masahiro'
'Miyake, Yoshihiro'
'Nishibayashi, Yoshiaki'
_publ_section_title
;
 Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing
 Group IV Metallocenyldiphosphine Moieties and a
 Pentamethylcyclopentadienyl Ligand
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              2007
_journal_paper_doi               10.1021/om400088d
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C31 H46 Cl3 Hf Mo P2'
_chemical_formula_sum            'C31 H46 Cl3 Hf Mo P2'
_chemical_formula_weight         861.44
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                102.8020(11)
_cell_angle_beta                 105.9730(12)
_cell_angle_gamma                96.7130(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5004(4)
_cell_length_b                   11.3631(5)
_cell_length_c                   14.6128(6)
_cell_measurement_reflns_used    12946
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      3.01
_cell_volume                     1604.88(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.143
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13344
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.986
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             854.00
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_refine_diff_density_max         3.410
_refine_diff_density_min         -1.980
_refine_ls_extinction_coef       15(5)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     380
_refine_ls_number_reflns         7096
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[3.4800σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1043
_reflns_number_gt                6457
_reflns_number_total             7096
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om400088d_si_002.cif
_cod_data_source_block           '_3b'
_cod_original_cell_volume        1604.89(11)
_cod_database_code               4080564
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Hf(1) Hf 0.33863(2) 0.55038(2) 0.71215(2) 0.01729(7) Uani 1.0 2 d .
Mo(2) Mo 0.66658(5) 0.71589(4) 0.82088(4) 0.01669(14) Uani 1.0 2 d .
Cl(1) Cl 0.46868(13) 0.68359(12) 0.88265(9) 0.0163(4) Uani 1.0 2 d .
Cl(2) Cl 0.16770(14) 0.51521(13) 0.80108(12) 0.0278(4) Uani 1.0 2 d .
Cl(3) Cl 0.71216(15) 0.63716(13) 0.65980(11) 0.0244(4) Uani 1.0 2 d .
P(1) P 0.65865(15) 0.49352(13) 0.81205(11) 0.0169(4) Uani 1.0 2 d .
P(2) P 0.52257(18) 0.82600(16) 0.71652(15) 0.0303(6) Uani 1.0 2 d .
C(1) C 0.4985(6) 0.4088(5) 0.7264(5) 0.0195(16) Uani 1.0 2 d .
C(2) C 0.4487(7) 0.4057(5) 0.6242(5) 0.0240(17) Uani 1.0 2 d .
C(3) C 0.3107(7) 0.3458(5) 0.5878(5) 0.0299(18) Uani 1.0 2 d .
C(4) C 0.2745(7) 0.3216(6) 0.6670(5) 0.0254(17) Uani 1.0 2 d .
C(5) C 0.3867(6) 0.3585(5) 0.7515(5) 0.0210(16) Uani 1.0 2 d .
C(6) C 0.6571(6) 0.4402(5) 0.9219(4) 0.0161(15) Uani 1.0 2 d .
C(7) C 0.6508(6) 0.3016(5) 0.9089(5) 0.0226(16) Uani 1.0 2 d .
C(8) C 0.7907(7) 0.4206(6) 0.7726(5) 0.0246(18) Uani 1.0 2 d .
C(9) C 0.7425(8) 0.3000(6) 0.6910(5) 0.039(2) Uani 1.0 2 d .
C(10) C 0.3582(7) 0.7351(6) 0.6524(5) 0.0275(18) Uani 1.0 2 d .
C(11) C 0.3181(10) 0.6308(7) 0.5692(5) 0.053(3) Uani 1.0 2 d .
C(12) C 0.1864(10) 0.5719(7) 0.5538(6) 0.061(3) Uani 1.0 2 d .
C(13) C 0.1424(8) 0.6365(6) 0.6263(6) 0.047(2) Uani 1.0 2 d .
C(14) C 0.2451(6) 0.7345(6) 0.6899(5) 0.0253(16) Uani 1.0 2 d .
C(15) C 0.4782(7) 0.9655(6) 0.7790(6) 0.040(2) Uani 1.0 2 d .
C(16) C 0.3821(7) 1.0284(6) 0.7118(6) 0.044(3) Uani 1.0 2 d .
C(17) C 0.5377(11) 0.8524(10) 0.5904(8) 0.086(4) Uiso 1.0 2 d .
C(18) C 0.6639(15) 0.9193(13) 0.6134(11) 0.157(6) Uiso 1.0 2 d .
C(19) C 0.7855(6) 0.7771(5) 0.9839(5) 0.0219(15) Uani 1.0 2 d .
C(20) C 0.8817(6) 0.7340(6) 0.9390(5) 0.0250(17) Uani 1.0 2 d .
C(21) C 0.9032(6) 0.8106(5) 0.8765(5) 0.0250(17) Uani 1.0 2 d .
C(22) C 0.8231(6) 0.9031(5) 0.8859(5) 0.0250(16) Uani 1.0 2 d .
C(23) C 0.7492(6) 0.8825(5) 0.9517(5) 0.0217(16) Uani 1.0 2 d .
C(24) C 0.7554(6) 0.7435(6) 1.0710(5) 0.0298(17) Uani 1.0 2 d .
C(25) C 0.9728(6) 0.6475(6) 0.9693(5) 0.0325(19) Uani 1.0 2 d .
C(26) C 1.0006(7) 0.8017(6) 0.8191(6) 0.037(3) Uani 1.0 2 d .
C(27) C 0.8513(6) 1.0196(5) 0.8559(5) 0.0275(17) Uani 1.0 2 d .
C(28) C 0.6771(7) 0.9690(6) 1.0023(5) 0.0309(18) Uani 1.0 2 d .
C(29) C 0.0000(11) 0.9330(10) 0.5663(8) 0.081(4) Uani 1.0 2 d .
C(30) C 0.0520(8) 0.8930(8) 0.4930(6) 0.049(3) Uani 1.0 2 d .
C(31) C 0.0512(12) 0.9578(9) 0.4270(7) 0.081(4) Uani 1.0 2 d .
H(1) H 0.5051 0.4250 0.5840 0.0323 Uiso 1.0 2 calc R
H(2) H 0.2538 0.3227 0.5187 0.0332 Uiso 1.0 2 calc R
H(3) H 0.1869 0.2755 0.6621 0.0296 Uiso 1.0 2 calc R
H(4) H 0.3924 0.3401 0.8148 0.0286 Uiso 1.0 2 calc R
H(5) H 0.7367 0.4722 0.9792 0.0213 Uiso 1.0 2 calc R
H(6) H 0.5801 0.4504 0.9453 0.0213 Uiso 1.0 2 calc R
H(7) H 0.7281 0.2788 0.8917 0.0286 Uiso 1.0 2 calc R
H(8) H 0.6507 0.2825 0.9697 0.0286 Uiso 1.0 2 calc R
H(9) H 0.5701 0.2569 0.8575 0.0285 Uiso 1.0 2 calc R
H(10) H 0.8430 0.4683 0.7434 0.0360 Uiso 1.0 2 calc R
H(11) H 0.8546 0.3956 0.8231 0.0359 Uiso 1.0 2 calc R
H(12) H 0.6830 0.3139 0.6331 0.0507 Uiso 1.0 2 calc R
H(13) H 0.8176 0.2697 0.6754 0.0507 Uiso 1.0 2 calc R
H(14) H 0.6947 0.2407 0.7133 0.0507 Uiso 1.0 2 calc R
H(15) H 0.3683 0.6112 0.5221 0.0695 Uiso 1.0 2 calc R
H(16) H 0.1328 0.5034 0.4974 0.0593 Uiso 1.0 2 calc R
H(17) H 0.0505 0.6196 0.6300 0.0452 Uiso 1.0 2 calc R
H(18) H 0.2364 0.7996 0.7431 0.0294 Uiso 1.0 2 calc R
H(19) H 0.4292 0.9599 0.8258 0.0439 Uiso 1.0 2 calc R
H(20) H 0.5501 1.0367 0.8120 0.0440 Uiso 1.0 2 calc R
H(21) H 0.2976 0.9726 0.6782 0.0553 Uiso 1.0 2 calc R
H(22) H 0.3674 1.1009 0.7528 0.0554 Uiso 1.0 2 calc R
H(23) H 0.4206 1.0507 0.6642 0.0554 Uiso 1.0 2 calc R
H(24) H 0.5445 0.7829 0.5409 0.1033 Uiso 1.0 2 calc R
H(25) H 0.4815 0.8956 0.5501 0.1027 Uiso 1.0 2 calc R
H(26) H 0.7367 0.8831 0.6442 0.1886 Uiso 1.0 2 calc R
H(27) H 0.6687 0.9242 0.5497 0.1884 Uiso 1.0 2 calc R
H(28) H 0.6710 1.0004 0.6538 0.1885 Uiso 1.0 2 calc R
H(29) H 0.6628 0.7465 1.0661 0.0317 Uiso 1.0 2 calc R
H(30) H 0.8130 0.8006 1.1311 0.0317 Uiso 1.0 2 calc R
H(31) H 0.7709 0.6620 1.0712 0.0318 Uiso 1.0 2 calc R
H(32) H 0.9204 0.5775 0.9770 0.0390 Uiso 1.0 2 calc R
H(33) H 1.0413 0.6885 1.0308 0.0389 Uiso 1.0 2 calc R
H(34) H 1.0146 0.6210 0.9195 0.0389 Uiso 1.0 2 calc R
H(35) H 1.0123 0.7181 0.8008 0.0504 Uiso 1.0 2 calc R
H(36) H 1.0858 0.8531 0.8591 0.0505 Uiso 1.0 2 calc R
H(37) H 0.9669 0.8285 0.7607 0.0505 Uiso 1.0 2 calc R
H(38) H 0.8797 1.0032 0.8000 0.0326 Uiso 1.0 2 calc R
H(39) H 0.9205 1.0790 0.9084 0.0327 Uiso 1.0 2 calc R
H(40) H 0.7702 1.0526 0.8407 0.0328 Uiso 1.0 2 calc R
H(41) H 0.6480 1.0242 0.9631 0.0357 Uiso 1.0 2 calc R
H(42) H 0.7372 1.0153 1.0659 0.0357 Uiso 1.0 2 calc R
H(43) H 0.6000 0.9231 1.0103 0.0357 Uiso 1.0 2 calc R
H(44) H 0.0043 0.8918 0.6151 0.1122 Uiso 1.0 2 calc R
H(45) H 0.0862 0.8207 0.4878 0.0570 Uiso 1.0 2 calc R
H(46) H 0.0817 0.9286 0.3738 0.1063 Uiso 1.0 2 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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Mo Mo -1.6832 0.6857
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Hf Hf -0.5830 6.1852
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cl(1) Hf(1) Cl(2) 80.16(5) yes . .
Cl(1) Hf(1) C(1) 90.68(12) yes . .
Cl(1) Hf(1) C(2) 119.34(13) yes . .
Cl(1) Hf(1) C(3) 145.04(15) yes . .
Cl(1) Hf(1) C(4) 124.94(15) yes . .
Cl(1) Hf(1) C(5) 94.37(13) yes . .
Cl(1) Hf(1) C(10) 87.83(13) yes . .
Cl(1) Hf(1) C(11) 120.43(16) yes . .
Cl(1) Hf(1) C(12) 138.56(17) yes . .
Cl(1) Hf(1) C(13) 113.03(15) yes . .
Cl(1) Hf(1) C(14) 84.40(13) yes . .
Cl(2) Hf(1) C(1) 112.43(17) yes . .
Cl(2) Hf(1) C(2) 130.89(16) yes . .
Cl(2) Hf(1) C(3) 105.23(18) yes . .
Cl(2) Hf(1) C(4) 77.05(18) yes . .
Cl(2) Hf(1) C(5) 80.15(17) yes . .
Cl(2) Hf(1) C(10) 119.67(19) yes . .
Cl(2) Hf(1) C(11) 129.5(3) yes . .
Cl(2) Hf(1) C(12) 100.0(3) yes . .
Cl(2) Hf(1) C(13) 76.3(2) yes . .
Cl(2) Hf(1) C(14) 85.79(18) yes . .
C(1) Hf(1) C(2) 33.9(2) yes . .
C(1) Hf(1) C(3) 54.99(19) yes . .
C(1) Hf(1) C(4) 54.9(2) yes . .
C(1) Hf(1) C(5) 33.6(3) yes . .
C(1) Hf(1) C(10) 126.7(3) yes . .
C(1) Hf(1) C(11) 112.7(3) yes . .
C(1) Hf(1) C(12) 125.6(3) yes . .
C(1) Hf(1) C(13) 156.1(2) yes . .
C(1) Hf(1) C(14) 160.1(3) yes . .
C(2) Hf(1) C(3) 33.1(2) yes . .
C(2) Hf(1) C(4) 54.5(3) yes . .
C(2) Hf(1) C(5) 55.5(3) yes . .
C(2) Hf(1) C(10) 106.5(3) yes . .
C(2) Hf(1) C(11) 81.7(3) yes . .
C(2) Hf(1) C(12) 92.0(3) yes . .
C(2) Hf(1) C(13) 123.5(3) yes . .
C(2) Hf(1) C(14) 136.7(3) yes . .
C(3) Hf(1) C(4) 31.9(3) yes . .
C(3) Hf(1) C(5) 54.1(2) yes . .
C(3) Hf(1) C(10) 116.7(3) yes . .
C(3) Hf(1) C(11) 83.3(3) yes . .
C(3) Hf(1) C(12) 75.5(3) yes . .
C(3) Hf(1) C(13) 101.7(2) yes . .
C(3) Hf(1) C(14) 130.0(2) yes . .
C(4) Hf(1) C(5) 32.76(18) yes . .
C(4) Hf(1) C(10) 146.6(2) yes . .
C(4) Hf(1) C(11) 112.7(2) yes . .
C(4) Hf(1) C(12) 94.7(2) yes . .
C(4) Hf(1) C(13) 109.1(2) yes . .
C(4) Hf(1) C(14) 141.62(19) yes . .
C(5) Hf(1) C(10) 160.1(3) yes . .
C(5) Hf(1) C(11) 135.2(3) yes . .
C(5) Hf(1) C(12) 126.7(2) yes . .
C(5) Hf(1) C(13) 139.7(2) yes . .
C(5) Hf(1) C(14) 165.9(3) yes . .
C(10) Hf(1) C(11) 33.9(2) yes . .
C(10) Hf(1) C(12) 55.7(2) yes . .
C(10) Hf(1) C(13) 54.9(3) yes . .
C(10) Hf(1) C(14) 34.0(3) yes . .
C(11) Hf(1) C(12) 32.9(4) yes . .
C(11) Hf(1) C(13) 53.4(4) yes . .
C(11) Hf(1) C(14) 55.2(3) yes . .
C(12) Hf(1) C(13) 31.6(3) yes . .
C(12) Hf(1) C(14) 54.5(2) yes . .
C(13) Hf(1) C(14) 32.73(18) yes . .
Cl(1) Mo(2) Cl(3) 135.02(5) yes . .
Cl(1) Mo(2) P(1) 82.55(6) yes . .
Cl(1) Mo(2) P(2) 83.78(7) yes . .
Cl(1) Mo(2) C(19) 83.64(17) yes . .
Cl(1) Mo(2) C(20) 115.09(19) yes . .
Cl(1) Mo(2) C(21) 141.67(17) yes . .
Cl(1) Mo(2) C(22) 120.16(18) yes . .
Cl(1) Mo(2) C(23) 86.16(18) yes . .
Cl(3) Mo(2) P(1) 78.28(6) yes . .
Cl(3) Mo(2) P(2) 80.00(7) yes . .
Cl(3) Mo(2) C(19) 137.41(17) yes . .
Cl(3) Mo(2) C(20) 102.05(18) yes . .
Cl(3) Mo(2) C(21) 83.07(17) yes . .
Cl(3) Mo(2) C(22) 100.30(18) yes . .
Cl(3) Mo(2) C(23) 136.34(18) yes . .
P(1) Mo(2) P(2) 132.37(5) yes . .
P(1) Mo(2) C(19) 93.46(16) yes . .
P(1) Mo(2) C(20) 81.97(15) yes . .
P(1) Mo(2) C(21) 106.30(15) yes . .
P(1) Mo(2) C(22) 139.34(16) yes . .
P(1) Mo(2) C(23) 130.22(17) yes . .
P(2) Mo(2) C(19) 129.89(16) yes . .
P(2) Mo(2) C(20) 144.25(16) yes . .
P(2) Mo(2) C(21) 112.47(17) yes . .
P(2) Mo(2) C(22) 86.06(16) yes . .
P(2) Mo(2) C(23) 93.88(17) yes . .
C(19) Mo(2) C(20) 35.5(3) yes . .
C(19) Mo(2) C(21) 59.0(3) yes . .
C(19) Mo(2) C(22) 59.9(3) yes . .
C(19) Mo(2) C(23) 37.0(3) yes . .
C(20) Mo(2) C(21) 34.7(3) yes . .
C(20) Mo(2) C(22) 58.3(2) yes . .
C(20) Mo(2) C(23) 59.8(2) yes . .
C(21) Mo(2) C(22) 34.7(2) yes . .
C(21) Mo(2) C(23) 59.3(3) yes . .
C(22) Mo(2) C(23) 36.1(3) yes . .
Hf(1) Cl(1) Mo(2) 87.57(5) yes . .
Mo(2) P(1) C(1) 108.3(2) yes . .
Mo(2) P(1) C(6) 119.12(17) yes . .
Mo(2) P(1) C(8) 117.6(3) yes . .
C(1) P(1) C(6) 100.6(3) yes . .
C(1) P(1) C(8) 106.7(3) yes . .
C(6) P(1) C(8) 102.6(3) yes . .
Mo(2) P(2) C(10) 111.3(3) yes . .
Mo(2) P(2) C(15) 117.7(3) yes . .
Mo(2) P(2) C(17) 125.9(4) yes . .
C(10) P(2) C(15) 100.1(3) yes . .
C(10) P(2) C(17) 89.6(4) yes . .
C(15) P(2) C(17) 105.8(5) yes . .
Hf(1) C(1) P(1) 108.3(3) yes . .
Hf(1) C(1) C(2) 72.9(4) yes . .
Hf(1) C(1) C(5) 72.8(4) yes . .
P(1) C(1) C(2) 126.1(5) yes . .
P(1) C(1) C(5) 126.1(5) yes . .
C(2) C(1) C(5) 106.3(5) yes . .
Hf(1) C(2) C(1) 73.2(4) yes . .
Hf(1) C(2) C(3) 76.9(4) yes . .
C(1) C(2) C(3) 107.9(6) yes . .
Hf(1) C(3) C(2) 70.0(4) yes . .
Hf(1) C(3) C(4) 72.2(4) yes . .
C(2) C(3) C(4) 107.5(6) yes . .
Hf(1) C(4) C(3) 75.9(4) yes . .
Hf(1) C(4) C(5) 71.7(4) yes . .
C(3) C(4) C(5) 109.5(6) yes . .
Hf(1) C(5) C(1) 73.5(4) yes . .
Hf(1) C(5) C(4) 75.5(4) yes . .
C(1) C(5) C(4) 108.6(6) yes . .
P(1) C(6) C(7) 115.3(4) yes . .
P(1) C(8) C(9) 116.7(5) yes . .
Hf(1) C(10) P(2) 108.4(3) yes . .
Hf(1) C(10) C(11) 72.0(5) yes . .
Hf(1) C(10) C(14) 73.2(4) yes . .
P(2) C(10) C(11) 128.7(7) yes . .
P(2) C(10) C(14) 125.2(4) yes . .
C(11) C(10) C(14) 104.6(7) yes . .
Hf(1) C(11) C(10) 74.1(5) yes . .
Hf(1) C(11) C(12) 76.6(5) yes . .
C(10) C(11) C(12) 110.5(8) yes . .
Hf(1) C(12) C(11) 70.5(5) yes . .
Hf(1) C(12) C(13) 74.9(5) yes . .
C(11) C(12) C(13) 107.0(6) yes . .
Hf(1) C(13) C(12) 73.4(5) yes . .
Hf(1) C(13) C(14) 71.1(4) yes . .
C(12) C(13) C(14) 110.1(8) yes . .
Hf(1) C(14) C(10) 72.7(4) yes . .
Hf(1) C(14) C(13) 76.1(4) yes . .
C(10) C(14) C(13) 107.8(6) yes . .
P(2) C(15) C(16) 116.3(5) yes . .
P(2) C(17) C(18) 105.2(9) yes . .
Mo(2) C(19) C(20) 76.9(4) yes . .
Mo(2) C(19) C(23) 71.0(4) yes . .
Mo(2) C(19) C(24) 130.6(4) yes . .
C(20) C(19) C(23) 108.3(6) yes . .
C(20) C(19) C(24) 126.2(6) yes . .
C(23) C(19) C(24) 123.5(6) yes . .
Mo(2) C(20) C(19) 67.6(3) yes . .
Mo(2) C(20) C(21) 73.9(4) yes . .
Mo(2) C(20) C(25) 136.1(4) yes . .
C(19) C(20) C(21) 108.0(6) yes . .
C(19) C(20) C(25) 126.9(7) yes . .
C(21) C(20) C(25) 123.3(7) yes . .
Mo(2) C(21) C(20) 71.4(4) yes . .
Mo(2) C(21) C(22) 70.2(3) yes . .
Mo(2) C(21) C(26) 127.8(4) yes . .
C(20) C(21) C(22) 107.7(7) yes . .
C(20) C(21) C(26) 126.0(6) yes . .
C(22) C(21) C(26) 126.1(7) yes . .
Mo(2) C(22) C(21) 75.1(3) yes . .
Mo(2) C(22) C(23) 68.1(3) yes . .
Mo(2) C(22) C(27) 137.2(4) yes . .
C(21) C(22) C(23) 108.4(6) yes . .
C(21) C(22) C(27) 121.6(7) yes . .
C(23) C(22) C(27) 127.4(6) yes . .
Mo(2) C(23) C(19) 72.0(3) yes . .
Mo(2) C(23) C(22) 75.8(4) yes . .
Mo(2) C(23) C(28) 130.1(4) yes . .
C(19) C(23) C(22) 107.5(6) yes . .
C(19) C(23) C(28) 122.4(7) yes . .
C(22) C(23) C(28) 128.1(6) yes . .
C(30) C(29) C(31) 119.8(11) yes . 2_576
C(29) C(30) C(31) 118.8(10) yes . .
C(29) C(31) C(30) 121.4(11) yes 2_576 .
Hf(1) C(2) H(1) 125.773 no . .
C(1) C(2) H(1) 124.851 no . .
C(3) C(2) H(1) 126.000 no . .
Hf(1) C(3) H(2) 125.409 no . .
C(2) C(3) H(2) 125.797 no . .
C(4) C(3) H(2) 126.601 no . .
Hf(1) C(4) H(3) 125.158 no . .
C(3) C(4) H(3) 124.838 no . .
C(5) C(4) H(3) 125.192 no . .
Hf(1) C(5) H(4) 125.140 no . .
C(1) C(5) H(4) 124.688 no . .
C(4) C(5) H(4) 125.938 no . .
P(1) C(6) H(5) 116.202 no . .
P(1) C(6) H(6) 116.553 no . .
C(7) C(6) H(5) 100.193 no . .
C(7) C(6) H(6) 99.790 no . .
H(5) C(6) H(6) 106.440 no . .
C(6) C(7) H(7) 109.349 no . .
C(6) C(7) H(8) 109.381 no . .
C(6) C(7) H(9) 109.775 no . .
H(7) C(7) H(8) 109.440 no . .
H(7) C(7) H(9) 109.440 no . .
H(8) C(7) H(9) 109.443 no . .
P(1) C(8) H(10) 115.138 no . .
P(1) C(8) H(11) 115.582 no . .
C(9) C(8) H(10) 99.981 no . .
C(9) C(8) H(11) 100.397 no . .
H(10) C(8) H(11) 106.893 no . .
C(8) C(9) H(12) 109.124 no . .
C(8) C(9) H(13) 110.676 no . .
C(8) C(9) H(14) 108.685 no . .
H(12) C(9) H(13) 109.441 no . .
H(12) C(9) H(14) 109.448 no . .
H(13) C(9) H(14) 109.448 no . .
Hf(1) C(11) H(15) 124.748 no . .
C(10) C(11) H(15) 124.910 no . .
C(12) C(11) H(15) 123.739 no . .
Hf(1) C(12) H(16) 125.082 no . .
C(11) C(12) H(16) 126.023 no . .
C(13) C(12) H(16) 126.662 no . .
Hf(1) C(13) H(17) 125.276 no . .
C(12) C(13) H(17) 124.440 no . .
C(14) C(13) H(17) 125.330 no . .
Hf(1) C(14) H(18) 125.136 no . .
C(10) C(14) H(18) 125.048 no . .
C(13) C(14) H(18) 126.345 no . .
P(2) C(15) H(19) 118.548 no . .
P(2) C(15) H(20) 117.414 no . .
C(16) C(15) H(19) 98.862 no . .
C(16) C(15) H(20) 97.080 no . .
H(19) C(15) H(20) 105.074 no . .
C(15) C(16) H(21) 108.995 no . .
C(15) C(16) H(22) 108.579 no . .
C(15) C(16) H(23) 110.919 no . .
H(21) C(16) H(22) 109.444 no . .
H(21) C(16) H(23) 109.441 no . .
H(22) C(16) H(23) 109.440 no . .
P(2) C(17) H(24) 118.495 no . .
P(2) C(17) H(25) 125.582 no . .
C(18) C(17) H(24) 98.516 no . .
C(18) C(17) H(25) 103.088 no . .
H(24) C(17) H(25) 101.772 no . .
C(17) C(18) H(26) 115.685 no . .
C(17) C(18) H(27) 101.946 no . .
C(17) C(18) H(28) 110.545 no . .
H(26) C(18) H(27) 109.440 no . .
H(26) C(18) H(28) 109.440 no . .
H(27) C(18) H(28) 109.459 no . .
C(19) C(24) H(29) 109.351 no . .
C(19) C(24) H(30) 109.563 no . .
C(19) C(24) H(31) 109.507 no . .
H(29) C(24) H(30) 109.482 no . .
H(29) C(24) H(31) 109.440 no . .
H(30) C(24) H(31) 109.484 no . .
C(20) C(25) H(32) 109.011 no . .
C(20) C(25) H(33) 109.602 no . .
C(20) C(25) H(34) 109.809 no . .
H(32) C(25) H(33) 109.486 no . .
H(32) C(25) H(34) 109.440 no . .
H(33) C(25) H(34) 109.479 no . .
C(21) C(26) H(35) 109.691 no . .
C(21) C(26) H(36) 109.169 no . .
C(21) C(26) H(37) 109.570 no . .
H(35) C(26) H(36) 109.440 no . .
H(35) C(26) H(37) 109.480 no . .
H(36) C(26) H(37) 109.477 no . .
C(22) C(27) H(38) 110.150 no . .
C(22) C(27) H(39) 110.322 no . .
C(22) C(27) H(40) 109.285 no . .
H(38) C(27) H(39) 108.812 no . .
H(38) C(27) H(40) 108.804 no . .
H(39) C(27) H(40) 109.443 no . .
C(23) C(28) H(41) 109.466 no . .
C(23) C(28) H(42) 109.364 no . .
C(23) C(28) H(43) 109.600 no . .
H(41) C(28) H(42) 109.474 no . .
H(41) C(28) H(43) 109.444 no . .
H(42) C(28) H(43) 109.480 no . .
C(30) C(29) H(44) 120.020 no . .
C(31) C(29) H(44) 120.023 no 2_576 .
C(29) C(30) H(45) 120.526 no . .
C(31) C(30) H(45) 120.697 no . .
C(29) C(31) H(46) 118.898 no 2_576 .
C(30) C(31) H(46) 119.608 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Hf(1) Cl(1) 2.5172(11) yes .
Hf(1) Cl(2) 2.5330(19) yes .
Hf(1) C(1) 2.457(7) yes .
Hf(1) C(2) 2.453(7) yes .
Hf(1) C(3) 2.543(6) yes .
Hf(1) C(4) 2.496(6) yes .
Hf(1) C(5) 2.448(6) yes .
Hf(1) C(10) 2.454(7) yes .
Hf(1) C(11) 2.427(8) yes .
Hf(1) C(12) 2.505(8) yes .
Hf(1) C(13) 2.524(8) yes .
Hf(1) C(14) 2.460(7) yes .
Mo(2) Cl(1) 2.5037(17) yes .
Mo(2) Cl(3) 2.5213(18) yes .
Mo(2) P(1) 2.4917(16) yes .
Mo(2) P(2) 2.489(2) yes .
Mo(2) C(19) 2.269(6) yes .
Mo(2) C(20) 2.390(6) yes .
Mo(2) C(21) 2.423(6) yes .
Mo(2) C(22) 2.358(5) yes .
Mo(2) C(23) 2.256(5) yes .
P(1) C(1) 1.802(5) yes .
P(1) C(6) 1.840(7) yes .
P(1) C(8) 1.854(8) yes .
P(2) C(10) 1.786(7) yes .
P(2) C(15) 1.825(7) yes .
P(2) C(17) 1.976(13) yes .
C(1) C(2) 1.431(9) yes .
C(1) C(5) 1.419(10) yes .
C(2) C(3) 1.424(9) yes .
C(3) C(4) 1.385(11) yes .
C(4) C(5) 1.395(8) yes .
C(6) C(7) 1.535(8) yes .
C(8) C(9) 1.529(8) yes .
C(10) C(11) 1.423(9) yes .
C(10) C(14) 1.438(11) yes .
C(11) C(12) 1.399(14) yes .
C(12) C(13) 1.371(13) yes .
C(13) C(14) 1.406(8) yes .
C(15) C(16) 1.558(10) yes .
C(17) C(18) 1.361(18) yes .
C(19) C(20) 1.424(10) yes .
C(19) C(23) 1.435(9) yes .
C(19) C(24) 1.508(10) yes .
C(20) C(21) 1.437(11) yes .
C(20) C(25) 1.502(10) yes .
C(21) C(22) 1.428(9) yes .
C(21) C(26) 1.490(11) yes .
C(22) C(23) 1.431(11) yes .
C(22) C(27) 1.506(10) yes .
C(23) C(28) 1.499(10) yes .
C(29) C(30) 1.348(16) yes .
C(29) C(31) 1.403(16) yes 2_576
C(30) C(31) 1.336(15) yes .
C(2) H(1) 0.980 no .
C(3) H(2) 0.980 no .
C(4) H(3) 0.980 no .
C(5) H(4) 0.980 no .
C(6) H(5) 0.970 no .
C(6) H(6) 0.970 no .
C(7) H(7) 0.960 no .
C(7) H(8) 0.960 no .
C(7) H(9) 0.960 no .
C(8) H(10) 0.970 no .
C(8) H(11) 0.970 no .
C(9) H(12) 0.960 no .
C(9) H(13) 0.960 no .
C(9) H(14) 0.960 no .
C(11) H(15) 0.980 no .
C(12) H(16) 0.980 no .
C(13) H(17) 0.980 no .
C(14) H(18) 0.980 no .
C(15) H(19) 0.970 no .
C(15) H(20) 0.970 no .
C(16) H(21) 0.960 no .
C(16) H(22) 0.960 no .
C(16) H(23) 0.960 no .
C(17) H(24) 0.970 no .
C(17) H(25) 0.970 no .
C(18) H(26) 0.960 no .
C(18) H(27) 0.960 no .
C(18) H(28) 0.960 no .
C(24) H(29) 0.960 no .
C(24) H(30) 0.960 no .
C(24) H(31) 0.960 no .
C(25) H(32) 0.960 no .
C(25) H(33) 0.960 no .
C(25) H(34) 0.960 no .
C(26) H(35) 0.960 no .
C(26) H(36) 0.960 no .
C(26) H(37) 0.960 no .
C(27) H(38) 0.933 no .
C(27) H(39) 0.960 no .
C(27) H(40) 0.960 no .
C(28) H(41) 0.960 no .
C(28) H(42) 0.960 no .
C(28) H(43) 0.960 no .
C(29) H(44) 0.930 no .
C(30) H(45) 0.930 no .
C(31) H(46) 0.930 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Cl(1) C(24) 3.352(6) no .
Cl(1) C(28) 3.477(6) no .
Cl(3) C(2) 3.427(7) no .
Cl(3) C(8) 3.313(7) no .
Cl(3) C(17) 3.389(12) no .
Cl(3) C(18) 3.486(16) no .
Cl(3) C(26) 3.310(6) no .
P(1) C(25) 3.453(6) no .
C(1) C(7) 3.271(9) no .
C(1) C(9) 3.089(11) no .
C(2) C(9) 3.411(10) no .
C(5) C(6) 3.097(7) no .
C(5) C(7) 3.311(9) no .
C(6) C(24) 3.506(8) no .
C(7) C(8) 3.208(10) no .
C(7) C(9) 3.568(11) no .
C(8) C(25) 3.333(8) no .
C(10) C(16) 3.213(9) no .
C(11) C(17) 3.108(14) no .
C(14) C(15) 3.132(8) no .
C(14) C(16) 3.388(9) no .
C(15) C(18) 3.494(19) no .
C(15) C(28) 3.344(10) no .
C(16) C(17) 3.257(14) no .
C(18) C(27) 3.402(14) no .
C(24) C(25) 3.216(10) no .
C(24) C(28) 3.071(10) no .
C(25) C(26) 3.148(12) no .
C(26) C(27) 3.108(10) no .
C(27) C(28) 3.272(11) no .
C(29) C(29) 2.717(17) no 2_576
C(30) C(30) 2.770(12) no 2_576
C(31) C(31) 2.688(17) no 2_576
Cl(1) C(7) 3.579(7) no 2_667
C(7) Cl(1) 3.579(7) no 2_667
C(18) C(31) 3.41(2) no 2_676
C(31) C(18) 3.41(2) no 2_676
Mo(2) H(29) 3.5340 no .
Mo(2) H(43) 3.5008 no .
Cl(1) H(6) 3.2311 no .
Cl(1) H(18) 3.3242 no .
Cl(1) H(19) 3.4632 no .
Cl(1) H(29) 2.7665 no .
Cl(1) H(43) 2.8714 no .
Cl(2) H(3) 3.0795 no .
Cl(2) H(4) 3.2527 no .
Cl(2) H(17) 3.0220 no .
Cl(2) H(18) 3.5621 no .
Cl(3) H(1) 2.8341 no .
Cl(3) H(10) 2.7907 no .
Cl(3) H(12) 3.5741 no .
Cl(3) H(15) 3.5582 no .
Cl(3) H(24) 3.0227 no .
Cl(3) H(26) 2.8419 no .
Cl(3) H(35) 3.1514 no .
Cl(3) H(37) 3.0175 no .
P(1) H(1) 3.1477 no .
P(1) H(4) 3.1322 no .
P(1) H(7) 3.0072 no .
P(1) H(9) 3.0138 no .
P(1) H(12) 3.0321 no .
P(1) H(14) 3.0328 no .
P(1) H(32) 2.9994 no .
P(2) H(15) 3.1815 no .
P(2) H(18) 3.1227 no .
P(2) H(21) 3.0452 no .
P(2) H(23) 3.0502 no .
P(2) H(26) 2.8040 no .
P(2) H(27) 3.5225 no .
P(2) H(28) 2.8398 no .
P(2) H(40) 3.2328 no .
P(2) H(41) 3.5903 no .
C(1) H(2) 3.2527 no .
C(1) H(3) 3.2256 no .
C(1) H(6) 2.9857 no .
C(1) H(9) 2.8620 no .
C(1) H(10) 3.5298 no .
C(1) H(12) 2.8398 no .
C(1) H(14) 2.9842 no .
C(2) H(3) 3.2099 no .
C(2) H(4) 3.2229 no .
C(2) H(12) 2.7639 no .
C(2) H(14) 3.4992 no .
C(2) H(15) 3.1146 no .
C(3) H(4) 3.2072 no .
C(3) H(15) 3.3990 no .
C(3) H(16) 2.9853 no .
C(4) H(1) 3.2080 no .
C(5) H(1) 3.2217 no .
C(5) H(2) 3.2145 no .
C(5) H(6) 2.8738 no .
C(5) H(9) 2.6662 no .
C(6) H(4) 2.7473 no .
C(6) H(11) 2.8657 no .
C(6) H(14) 3.5210 no .
C(6) H(31) 2.8215 no .
C(6) H(32) 2.8164 no .
C(7) H(4) 2.8170 no .
C(7) H(11) 2.9711 no .
C(7) H(14) 2.9639 no .
C(8) H(1) 3.4839 no .
C(8) H(5) 3.1645 no .
C(8) H(7) 2.7708 no .
C(8) H(9) 3.4582 no .
C(8) H(32) 2.9651 no .
C(8) H(34) 3.0209 no .
C(9) H(1) 3.2156 no .
C(9) H(7) 3.0383 no .
C(9) H(9) 3.4901 no .
C(10) H(16) 3.2585 no .
C(10) H(17) 3.2406 no .
C(10) H(19) 3.0243 no .
C(10) H(21) 2.8120 no .
C(10) H(23) 3.5259 no .
C(10) H(24) 2.9466 no .
C(10) H(25) 2.9929 no .
C(11) H(1) 3.2303 no .
C(11) H(2) 3.3598 no .
C(11) H(17) 3.1687 no .
C(11) H(18) 3.2086 no .
C(11) H(24) 2.9511 no .
C(11) H(25) 3.3910 no .
C(12) H(2) 2.9677 no .
C(12) H(18) 3.2151 no .
C(13) H(15) 3.1592 no .
C(14) H(15) 3.2087 no .
C(14) H(16) 3.2214 no .
C(14) H(19) 2.9533 no .
C(14) H(21) 2.7499 no .
C(15) H(18) 2.8250 no .
C(15) H(25) 3.2730 no .
C(15) H(28) 3.1267 no .
C(15) H(40) 2.9273 no .
C(15) H(41) 2.6736 no .
C(15) H(43) 3.4323 no .
C(16) H(18) 3.0475 no .
C(16) H(25) 3.0160 no .
C(16) H(28) 3.3977 no .
C(17) H(15) 2.8888 no .
C(17) H(20) 3.4043 no .
C(17) H(21) 3.4173 no .
C(17) H(23) 2.8378 no .
C(18) H(20) 3.4924 no .
C(18) H(23) 3.2785 no .
C(18) H(38) 2.9018 no .
C(18) H(40) 3.1471 no .
C(19) H(5) 3.4256 no .
C(19) H(32) 2.8086 no .
C(19) H(33) 2.9355 no .
C(19) H(34) 3.3651 no .
C(19) H(41) 3.3382 no .
C(19) H(42) 2.8697 no .
C(19) H(43) 2.7528 no .
C(20) H(5) 3.4229 no .
C(20) H(10) 3.5638 no .
C(20) H(29) 3.3246 no .
C(20) H(30) 3.0444 no .
C(20) H(31) 2.7318 no .
C(20) H(35) 2.7231 no .
C(20) H(36) 3.0319 no .
C(20) H(37) 3.3242 no .
C(21) H(32) 3.3011 no .
C(21) H(33) 3.0274 no .
C(21) H(34) 2.6818 no .
C(21) H(38) 2.6756 no .
C(21) H(39) 2.9575 no .
C(21) H(40) 3.3043 no .
C(22) H(20) 3.4252 no .
C(22) H(26) 3.3440 no .
C(22) H(35) 3.3301 no .
C(22) H(36) 2.9912 no .
C(22) H(37) 2.7349 no .
C(22) H(41) 2.7557 no .
C(22) H(42) 3.0734 no .
C(22) H(43) 3.3364 no .
C(23) H(20) 3.4202 no .
C(23) H(29) 2.7680 no .
C(23) H(30) 2.9069 no .
C(23) H(31) 3.3525 no .
C(23) H(38) 3.3534 no .
C(23) H(39) 2.9886 no .
C(23) H(40) 2.8101 no .
C(24) H(5) 3.0372 no .
C(24) H(6) 3.4427 no .
C(24) H(32) 3.0608 no .
C(24) H(33) 3.3152 no .
C(24) H(42) 3.1325 no .
C(24) H(43) 2.8972 no .
C(25) H(5) 3.0509 no .
C(25) H(10) 3.2864 no .
C(25) H(11) 3.0501 no .
C(25) H(30) 3.5322 no .
C(25) H(31) 2.9064 no .
C(25) H(35) 2.8696 no .
C(25) H(36) 3.3949 no .
C(26) H(26) 3.5807 no .
C(26) H(33) 3.5454 no .
C(26) H(34) 2.7713 no .
C(26) H(38) 2.7754 no .
C(26) H(39) 3.4270 no .
C(27) H(20) 3.0881 no .
C(27) H(26) 2.9683 no .
C(27) H(28) 2.9817 no .
C(27) H(36) 3.2731 no .
C(27) H(37) 2.8867 no .
C(27) H(41) 2.9741 no .
C(27) H(42) 3.5958 no .
C(28) H(19) 3.0921 no .
C(28) H(20) 3.0410 no .
C(28) H(29) 2.8843 no .
C(28) H(30) 3.1615 no .
C(28) H(39) 3.4527 no .
C(28) H(40) 3.0791 no .
C(29) H(45) 3.2328 no 2_576
C(29) H(46) 3.1515 no .
C(30) H(44) 3.2186 no 2_576
C(30) H(46) 3.2081 no 2_576
C(31) H(44) 3.1521 no .
C(31) H(45) 3.2265 no 2_576
H(1) H(2) 2.5747 no .
H(1) H(10) 3.5762 no .
H(1) H(12) 2.4111 no .
H(1) H(14) 3.5465 no .
H(1) H(15) 2.8633 no .
H(2) H(3) 2.5290 no .
H(2) H(15) 3.3415 no .
H(2) H(16) 2.5691 no .
H(3) H(4) 2.5352 no .
H(4) H(6) 2.3206 no .
H(4) H(7) 3.5935 no .
H(4) H(8) 3.2559 no .
H(4) H(9) 2.1906 no .
H(5) H(7) 2.2616 no .
H(5) H(8) 2.1964 no .
H(5) H(9) 2.7515 no .
H(5) H(11) 2.9019 no .
H(5) H(29) 3.3588 no .
H(5) H(31) 2.2033 no .
H(5) H(32) 2.1591 no .
H(5) H(33) 3.5848 no .
H(6) H(7) 2.7440 no .
H(6) H(8) 2.1917 no .
H(6) H(9) 2.2617 no .
H(6) H(29) 3.3213 no .
H(6) H(31) 2.8400 no .
H(6) H(32) 3.5570 no .
H(7) H(11) 2.3320 no .
H(7) H(13) 3.5209 no .
H(7) H(14) 2.4631 no .
H(7) H(32) 3.5049 no .
H(9) H(11) 3.4261 no .
H(9) H(14) 2.7541 no .
H(10) H(12) 2.2509 no .
H(10) H(13) 2.2079 no .
H(10) H(14) 2.7364 no .
H(10) H(32) 3.1969 no .
H(10) H(34) 2.7605 no .
H(10) H(35) 2.9768 no .
H(11) H(12) 2.7442 no .
H(11) H(13) 2.2127 no .
H(11) H(14) 2.2509 no .
H(11) H(32) 2.5618 no .
H(11) H(34) 2.7312 no .
H(15) H(16) 2.5199 no .
H(15) H(24) 2.4387 no .
H(15) H(25) 3.2049 no .
H(16) H(17) 2.5104 no .
H(17) H(18) 2.5536 no .
H(18) H(19) 2.3858 no .
H(18) H(21) 2.4574 no .
H(18) H(22) 3.4943 no .
H(19) H(21) 2.2638 no .
H(19) H(22) 2.1786 no .
H(19) H(23) 2.7628 no .
H(19) H(40) 3.5448 no .
H(19) H(41) 2.5017 no .
H(19) H(43) 2.9459 no .
H(20) H(21) 2.7286 no .
H(20) H(22) 2.1570 no .
H(20) H(23) 2.2641 no .
H(20) H(28) 2.9057 no .
H(20) H(38) 3.5734 no .
H(20) H(40) 2.2111 no .
H(20) H(41) 2.2084 no .
H(20) H(43) 3.3646 no .
H(21) H(25) 3.1073 no .
H(23) H(25) 2.4169 no .
H(23) H(28) 2.7919 no .
H(24) H(26) 2.1612 no .
H(24) H(27) 1.9030 no .
H(24) H(28) 2.6104 no .
H(25) H(26) 2.6902 no .
H(25) H(27) 1.9566 no .
H(25) H(28) 2.1592 no .
H(26) H(37) 2.7716 no .
H(26) H(38) 2.3590 no .
H(26) H(40) 2.9853 no .
H(27) H(38) 3.5660 no .
H(28) H(38) 2.5969 no .
H(28) H(40) 2.5428 no .
H(29) H(42) 3.0642 no .
H(29) H(43) 2.4214 no .
H(30) H(32) 3.5075 no .
H(30) H(33) 3.3666 no .
H(30) H(42) 2.9253 no .
H(30) H(43) 3.1133 no .
H(31) H(32) 2.4959 no .
H(31) H(33) 3.0489 no .
H(32) H(35) 3.5981 no .
H(33) H(35) 3.3856 no .
H(33) H(36) 3.5398 no .
H(34) H(35) 2.2495 no .
H(34) H(36) 3.0381 no .
H(36) H(38) 2.9713 no .
H(36) H(39) 3.3219 no .
H(37) H(38) 2.3065 no .
H(37) H(39) 3.3438 no .
H(39) H(41) 3.2061 no .
H(39) H(42) 3.5180 no .
H(40) H(41) 2.5248 no .
H(40) H(42) 3.5127 no .
H(44) H(45) 2.2867 no .
H(44) H(46) 2.3175 no 2_576
H(45) H(46) 2.2707 no .
Cl(1) H(6) 3.3352 no 2_667
Cl(1) H(8) 2.7591 no 2_667
Cl(2) H(5) 3.0536 no 2_667
Cl(2) H(8) 3.4916 no 2_667
Cl(2) H(10) 3.2274 no 1_455
Cl(2) H(11) 3.5342 no 1_455
Cl(2) H(31) 3.0429 no 2_667
Cl(2) H(34) 2.8436 no 1_455
Cl(2) H(35) 2.9761 no 1_455
Cl(3) H(1) 3.5260 no 2_666
Cl(3) H(2) 2.8530 no 2_666
Cl(3) H(15) 3.2598 no 2_666
Cl(3) H(16) 3.3933 no 2_666
C(2) H(15) 3.2350 no 2_666
C(2) H(24) 2.8731 no 2_666
C(3) H(24) 2.9767 no 2_666
C(3) H(27) 3.3412 no 2_666
C(4) H(22) 3.1790 no 1_545
C(4) H(23) 3.5938 no 1_545
C(5) H(22) 2.9147 no 1_545
C(5) H(23) 3.5428 no 1_545
C(5) H(29) 3.2900 no 2_667
C(5) H(31) 3.4705 no 2_667
C(7) H(20) 2.9543 no 1_545
C(7) H(22) 3.4108 no 1_545
C(7) H(29) 3.4073 no 2_667
C(7) H(33) 3.0899 no 2_767
C(7) H(34) 3.5853 no 2_767
C(7) H(40) 3.2926 no 1_545
C(7) H(41) 3.4155 no 1_545
C(8) H(33) 3.4936 no 2_767
C(9) H(15) 3.4264 no 2_666
C(9) H(28) 3.2879 no 1_545
C(9) H(46) 3.4711 no 2_666
C(10) H(45) 3.5775 no .
C(11) H(1) 3.2865 no 2_666
C(11) H(12) 3.1528 no 2_666
C(11) H(45) 3.5744 no .
C(12) H(16) 3.1927 no 2_566
C(12) H(17) 3.2564 no 2_566
C(12) H(45) 3.3733 no .
C(13) H(16) 2.9866 no 2_566
C(13) H(35) 3.2242 no 1_455
C(13) H(44) 3.4070 no .
C(13) H(45) 3.2155 no .
C(14) H(35) 3.2930 no 1_455
C(14) H(36) 3.4715 no 1_455
C(14) H(37) 3.5558 no 1_455
C(14) H(44) 3.3442 no .
C(14) H(45) 3.3799 no .
C(15) H(9) 3.1888 no 1_565
C(15) H(43) 3.4146 no 2_677
C(16) H(4) 3.5041 no 1_565
C(16) H(9) 3.0338 no 1_565
C(17) H(1) 3.4809 no 2_666
C(17) H(2) 3.5813 no 2_666
C(17) H(12) 3.4184 no 2_666
C(18) H(2) 3.3405 no 2_666
C(18) H(14) 3.5594 no 1_565
C(18) H(46) 2.9422 no 2_676
C(19) H(39) 3.1117 no 2_777
C(20) H(39) 2.8499 no 2_777
C(21) H(39) 3.0638 no 2_777
C(22) H(39) 3.3872 no 2_777
C(23) H(36) 3.4841 no 2_777
C(23) H(39) 3.4275 no 2_777
C(24) H(4) 2.8069 no 2_667
C(24) H(22) 3.4301 no 2_677
C(25) H(5) 3.4463 no 2_767
C(25) H(7) 3.1319 no 2_767
C(25) H(11) 3.2507 no 2_767
C(25) H(32) 3.0799 no 2_767
C(25) H(39) 3.1188 no 2_777
C(26) H(17) 3.2721 no 1_655
C(26) H(18) 2.9800 no 1_655
C(26) H(42) 3.0487 no 2_777
C(26) H(44) 3.3682 no 1_655
C(27) H(7) 3.3474 no 1_565
C(27) H(33) 3.2677 no 2_777
C(28) H(19) 3.0103 no 2_677
C(28) H(36) 2.9362 no 2_777
C(28) H(41) 3.5928 no 2_677
C(28) H(43) 3.2628 no 2_677
C(29) H(2) 3.4433 no 2_566
C(29) H(3) 3.5231 no 2_566
C(29) H(21) 3.0289 no .
C(29) H(26) 3.3039 no 1_455
C(29) H(27) 3.4083 no 1_455
C(29) H(37) 3.3968 no 1_455
C(30) H(3) 2.9868 no 2_566
C(30) H(13) 3.4312 no 2_666
C(30) H(21) 3.0537 no .
C(31) H(3) 3.1787 no 2_566
C(31) H(13) 3.3273 no 2_666
C(31) H(26) 3.2369 no 2_676
C(31) H(27) 2.9817 no 2_676
C(31) H(28) 3.4570 no 2_676
H(1) Cl(3) 3.5260 no 2_666
H(1) C(11) 3.2865 no 2_666
H(1) C(17) 3.4809 no 2_666
H(1) H(1) 3.2712 no 2_666
H(1) H(15) 2.3075 no 2_666
H(1) H(24) 2.5425 no 2_666
H(2) Cl(3) 2.8530 no 2_666
H(2) C(17) 3.5813 no 2_666
H(2) C(18) 3.3405 no 2_666
H(2) C(29) 3.4433 no 2_566
H(2) H(17) 3.5582 no 2_566
H(2) H(24) 2.7980 no 2_666
H(2) H(26) 2.9771 no 2_666
H(2) H(27) 3.0453 no 2_666
H(2) H(44) 3.2455 no 2_566
H(3) C(29) 3.5231 no 2_566
H(3) C(30) 2.9868 no 2_566
H(3) C(31) 3.1787 no 2_566
H(3) H(22) 3.1539 no 1_545
H(3) H(30) 3.3222 no 2_667
H(3) H(45) 2.9939 no 2_566
H(3) H(46) 3.2758 no 2_566
H(4) C(16) 3.5041 no 1_545
H(4) C(24) 2.8069 no 2_667
H(4) H(22) 2.6247 no 1_545
H(4) H(29) 2.3484 no 2_667
H(4) H(30) 2.9201 no 2_667
H(4) H(31) 2.7016 no 2_667
H(5) Cl(2) 3.0536 no 2_667
H(5) C(25) 3.4463 no 2_767
H(5) H(33) 3.1394 no 2_767
H(5) H(34) 3.0562 no 2_767
H(6) Cl(1) 3.3352 no 2_667
H(6) H(6) 2.7897 no 2_667
H(6) H(29) 3.1312 no 2_667
H(7) C(25) 3.1319 no 2_767
H(7) C(27) 3.3474 no 1_545
H(7) H(20) 2.9328 no 1_545
H(7) H(33) 2.3195 no 2_767
H(7) H(34) 3.1611 no 2_767
H(7) H(39) 3.2160 no 1_545
H(7) H(40) 2.6381 no 1_545
H(7) H(41) 3.3800 no 1_545
H(8) Cl(1) 2.7591 no 2_667
H(8) Cl(2) 3.4916 no 2_667
H(8) H(20) 3.0562 no 1_545
H(8) H(29) 3.1537 no 2_667
H(8) H(33) 3.2146 no 2_767
H(8) H(34) 3.3697 no 2_767
H(8) H(40) 3.4402 no 1_545
H(8) H(41) 2.9117 no 1_545
H(8) H(43) 3.4298 no 2_667
H(9) C(15) 3.1888 no 1_545
H(9) C(16) 3.0338 no 1_545
H(9) H(19) 3.3985 no 1_545
H(9) H(20) 2.4097 no 1_545
H(9) H(22) 2.4767 no 1_545
H(9) H(23) 3.1137 no 1_545
H(9) H(29) 2.9552 no 2_667
H(9) H(40) 3.3220 no 1_545
H(9) H(41) 3.4151 no 1_545
H(10) Cl(2) 3.2274 no 1_655
H(10) H(17) 3.5804 no 1_655
H(11) Cl(2) 3.5342 no 1_655
H(11) C(25) 3.2507 no 2_767
H(11) H(32) 3.1375 no 2_767
H(11) H(33) 2.5556 no 2_767
H(12) C(11) 3.1528 no 2_666
H(12) C(17) 3.4184 no 2_666
H(12) H(15) 2.5397 no 2_666
H(12) H(24) 2.8605 no 2_666
H(12) H(25) 3.0800 no 2_666
H(13) C(30) 3.4312 no 2_666
H(13) C(31) 3.3273 no 2_666
H(13) H(28) 3.1680 no 1_545
H(13) H(45) 2.8709 no 2_666
H(13) H(46) 2.6397 no 2_666
H(14) C(18) 3.5594 no 1_545
H(14) H(20) 3.4097 no 1_545
H(14) H(23) 3.1910 no 1_545
H(14) H(28) 2.6347 no 1_545
H(14) H(40) 3.1641 no 1_545
H(14) H(46) 3.5281 no 2_666
H(15) Cl(3) 3.2598 no 2_666
H(15) C(2) 3.2350 no 2_666
H(15) C(9) 3.4264 no 2_666
H(15) H(1) 2.3075 no 2_666
H(15) H(12) 2.5397 no 2_666
H(16) Cl(3) 3.3933 no 2_666
H(16) C(12) 3.1927 no 2_566
H(16) C(13) 2.9866 no 2_566
H(16) H(16) 2.8039 no 2_566
H(16) H(17) 2.3171 no 2_566
H(17) C(12) 3.2564 no 2_566
H(17) C(26) 3.2721 no 1_455
H(17) H(2) 3.5582 no 2_566
H(17) H(10) 3.5804 no 1_455
H(17) H(16) 2.3171 no 2_566
H(17) H(35) 2.6573 no 1_455
H(17) H(37) 3.0744 no 1_455
H(17) H(44) 3.2311 no .
H(17) H(45) 3.4669 no .
H(18) C(26) 2.9800 no 1_455
H(18) H(35) 2.8353 no 1_455
H(18) H(36) 2.6433 no 1_455
H(18) H(37) 2.9601 no 1_455
H(18) H(42) 3.0210 no 2_677
H(18) H(44) 3.0811 no .
H(19) C(28) 3.0103 no 2_677
H(19) H(9) 3.3985 no 1_565
H(19) H(41) 3.3712 no 2_677
H(19) H(42) 2.6602 no 2_677
H(19) H(43) 2.5852 no 2_677
H(20) C(7) 2.9543 no 1_565
H(20) H(7) 2.9328 no 1_565
H(20) H(8) 3.0562 no 1_565
H(20) H(9) 2.4097 no 1_565
H(20) H(14) 3.4097 no 1_565
H(20) H(43) 3.3652 no 2_677
H(21) C(29) 3.0289 no .
H(21) C(30) 3.0537 no .
H(21) H(44) 2.9291 no .
H(21) H(45) 3.0378 no .
H(22) C(4) 3.1790 no 1_565
H(22) C(5) 2.9147 no 1_565
H(22) C(7) 3.4108 no 1_565
H(22) C(24) 3.4301 no 2_677
H(22) H(3) 3.1539 no 1_565
H(22) H(4) 2.6247 no 1_565
H(22) H(9) 2.4767 no 1_565
H(22) H(29) 2.9454 no 2_677
H(22) H(30) 3.0243 no 2_677
H(22) H(42) 3.5761 no 2_677
H(22) H(43) 3.4590 no 2_677
H(23) C(4) 3.5938 no 1_565
H(23) C(5) 3.5428 no 1_565
H(23) H(9) 3.1137 no 1_565
H(23) H(14) 3.1910 no 1_565
H(23) H(27) 3.0939 no 2_676
H(24) C(2) 2.8731 no 2_666
H(24) C(3) 2.9767 no 2_666
H(24) H(1) 2.5425 no 2_666
H(24) H(2) 2.7980 no 2_666
H(24) H(12) 2.8605 no 2_666
H(25) H(12) 3.0800 no 2_666
H(25) H(25) 3.0932 no 2_676
H(25) H(27) 3.1011 no 2_676
H(25) H(28) 3.4957 no 2_676
H(26) C(29) 3.3039 no 1_655
H(26) C(31) 3.2369 no 2_676
H(26) H(2) 2.9771 no 2_666
H(26) H(44) 2.9497 no 1_655
H(26) H(46) 2.8020 no 2_676
H(27) C(3) 3.3412 no 2_666
H(27) C(29) 3.4083 no 1_655
H(27) C(31) 2.9817 no 2_676
H(27) H(2) 3.0453 no 2_666
H(27) H(23) 3.0939 no 2_676
H(27) H(25) 3.1011 no 2_676
H(27) H(44) 3.4750 no 1_655
H(27) H(46) 2.7292 no 2_676
H(28) C(9) 3.2879 no 1_565
H(28) C(31) 3.4570 no 2_676
H(28) H(13) 3.1680 no 1_565
H(28) H(14) 2.6347 no 1_565
H(28) H(25) 3.4957 no 2_676
H(28) H(46) 2.7902 no 2_676
H(29) C(5) 3.2900 no 2_667
H(29) C(7) 3.4073 no 2_667
H(29) H(4) 2.3484 no 2_667
H(29) H(6) 3.1312 no 2_667
H(29) H(8) 3.1537 no 2_667
H(29) H(9) 2.9552 no 2_667
H(29) H(22) 2.9454 no 2_677
H(30) H(3) 3.3222 no 2_667
H(30) H(4) 2.9201 no 2_667
H(30) H(22) 3.0243 no 2_677
H(30) H(38) 3.4540 no 2_777
H(30) H(39) 3.2214 no 2_777
H(31) Cl(2) 3.0429 no 2_667
H(31) C(5) 3.4705 no 2_667
H(31) H(4) 2.7016 no 2_667
H(32) C(25) 3.0799 no 2_767
H(32) H(11) 3.1375 no 2_767
H(32) H(32) 2.6352 no 2_767
H(32) H(33) 3.0775 no 2_767
H(32) H(34) 3.0228 no 2_767
H(33) C(7) 3.0899 no 2_767
H(33) C(8) 3.4936 no 2_767
H(33) C(27) 3.2677 no 2_777
H(33) H(5) 3.1394 no 2_767
H(33) H(7) 2.3195 no 2_767
H(33) H(8) 3.2146 no 2_767
H(33) H(11) 2.5556 no 2_767
H(33) H(32) 3.0775 no 2_767
H(33) H(39) 2.5382 no 2_777
H(33) H(40) 3.2005 no 2_777
H(34) Cl(2) 2.8436 no 1_655
H(34) C(7) 3.5853 no 2_767
H(34) H(5) 3.0562 no 2_767
H(34) H(7) 3.1611 no 2_767
H(34) H(8) 3.3697 no 2_767
H(34) H(32) 3.0228 no 2_767
H(35) Cl(2) 2.9761 no 1_655
H(35) C(13) 3.2242 no 1_655
H(35) C(14) 3.2930 no 1_655
H(35) H(17) 2.6573 no 1_655
H(35) H(18) 2.8353 no 1_655
H(35) H(42) 3.5489 no 2_777
H(36) C(14) 3.4715 no 1_655
H(36) C(23) 3.4841 no 2_777
H(36) C(28) 2.9362 no 2_777
H(36) H(18) 2.6433 no 1_655
H(36) H(39) 3.3344 no 2_777
H(36) H(41) 3.1612 no 2_777
H(36) H(42) 2.0964 no 2_777
H(36) H(44) 3.5699 no 1_655
H(37) C(14) 3.5558 no 1_655
H(37) C(29) 3.3968 no 1_655
H(37) H(17) 3.0744 no 1_655
H(37) H(18) 2.9601 no 1_655
H(37) H(42) 3.4074 no 2_777
H(37) H(44) 2.5036 no 1_655
H(38) H(30) 3.4540 no 2_777
H(38) H(44) 3.3817 no 1_655
H(38) H(46) 2.9287 no 2_676
H(39) C(19) 3.1117 no 2_777
H(39) C(20) 2.8499 no 2_777
H(39) C(21) 3.0638 no 2_777
H(39) C(22) 3.3872 no 2_777
H(39) C(23) 3.4275 no 2_777
H(39) C(25) 3.1188 no 2_777
H(39) H(7) 3.2160 no 1_565
H(39) H(30) 3.2214 no 2_777
H(39) H(33) 2.5382 no 2_777
H(39) H(36) 3.3344 no 2_777
H(40) C(7) 3.2926 no 1_565
H(40) H(7) 2.6381 no 1_565
H(40) H(8) 3.4402 no 1_565
H(40) H(9) 3.3220 no 1_565
H(40) H(14) 3.1641 no 1_565
H(40) H(33) 3.2005 no 2_777
H(41) C(7) 3.4155 no 1_565
H(41) C(28) 3.5928 no 2_677
H(41) H(7) 3.3800 no 1_565
H(41) H(8) 2.9117 no 1_565
H(41) H(9) 3.4151 no 1_565
H(41) H(19) 3.3712 no 2_677
H(41) H(36) 3.1612 no 2_777
H(41) H(41) 3.5819 no 2_677
H(41) H(43) 2.8480 no 2_677
H(42) C(26) 3.0487 no 2_777
H(42) H(18) 3.0210 no 2_677
H(42) H(19) 2.6602 no 2_677
H(42) H(22) 3.5761 no 2_677
H(42) H(35) 3.5489 no 2_777
H(42) H(36) 2.0964 no 2_777
H(42) H(37) 3.4074 no 2_777
H(43) C(15) 3.4146 no 2_677
H(43) C(28) 3.2628 no 2_677
H(43) H(8) 3.4298 no 2_667
H(43) H(19) 2.5852 no 2_677
H(43) H(20) 3.3652 no 2_677
H(43) H(22) 3.4590 no 2_677
H(43) H(41) 2.8480 no 2_677
H(43) H(43) 2.8821 no 2_677
H(44) C(13) 3.4070 no .
H(44) C(14) 3.3442 no .
H(44) C(26) 3.3682 no 1_455
H(44) H(2) 3.2455 no 2_566
H(44) H(17) 3.2311 no .
H(44) H(18) 3.0811 no .
H(44) H(21) 2.9291 no .
H(44) H(26) 2.9497 no 1_455
H(44) H(27) 3.4750 no 1_455
H(44) H(36) 3.5699 no 1_455
H(44) H(37) 2.5036 no 1_455
H(44) H(38) 3.3817 no 1_455
H(45) C(10) 3.5775 no .
H(45) C(11) 3.5744 no .
H(45) C(12) 3.3733 no .
H(45) C(13) 3.2155 no .
H(45) C(14) 3.3799 no .
H(45) H(3) 2.9939 no 2_566
H(45) H(13) 2.8709 no 2_666
H(45) H(17) 3.4669 no .
H(45) H(21) 3.0378 no .
H(46) C(9) 3.4711 no 2_666
H(46) C(18) 2.9422 no 2_676
H(46) H(3) 3.2758 no 2_566
H(46) H(13) 2.6397 no 2_666
H(46) H(14) 3.5281 no 2_666
H(46) H(26) 2.8020 no 2_676
H(46) H(27) 2.7292 no 2_676
H(46) H(28) 2.7902 no 2_676
H(46) H(38) 2.9287 no 2_676
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl(2) Hf(1) Cl(1) Mo(2) 173.60(6) no . . .
Cl(1) Hf(1) C(1) P(1) -26.3(3) no . . .
Cl(1) Hf(1) C(1) C(2) -149.4(2) no . . .
Cl(1) Hf(1) C(1) C(5) 96.87(18) no . . .
C(1) Hf(1) Cl(1) Mo(2) 60.93(16) no . . .
Cl(1) Hf(1) C(2) C(1) 35.7(3) no . . .
Cl(1) Hf(1) C(2) C(3) 149.29(17) no . . .
C(2) Hf(1) Cl(1) Mo(2) 41.94(19) no . . .
Cl(1) Hf(1) C(3) C(2) -51.0(5) no . . .
Cl(1) Hf(1) C(3) C(4) 66.0(5) no . . .
C(3) Hf(1) Cl(1) Mo(2) 71.0(3) no . . .
Cl(1) Hf(1) C(4) C(3) -140.33(17) no . . .
Cl(1) Hf(1) C(4) C(5) -23.9(4) no . . .
C(4) Hf(1) Cl(1) Mo(2) 107.1(2) no . . .
Cl(1) Hf(1) C(5) C(1) -84.65(19) no . . .
Cl(1) Hf(1) C(5) C(4) 160.5(3) no . . .
C(5) Hf(1) Cl(1) Mo(2) 94.40(17) no . . .
Cl(1) Hf(1) C(10) P(2) 39.1(3) no . . .
Cl(1) Hf(1) C(10) C(11) 164.8(3) no . . .
Cl(1) Hf(1) C(10) C(14) -83.20(18) no . . .
C(10) Hf(1) Cl(1) Mo(2) -65.79(19) no . . .
Cl(1) Hf(1) C(11) C(10) -17.6(6) no . . .
Cl(1) Hf(1) C(11) C(12) -133.9(2) no . . .
C(11) Hf(1) Cl(1) Mo(2) -56.1(3) no . . .
Cl(1) Hf(1) C(12) C(11) 70.0(5) no . . .
Cl(1) Hf(1) C(12) C(13) -44.6(6) no . . .
C(12) Hf(1) Cl(1) Mo(2) -92.3(4) no . . .
Cl(1) Hf(1) C(13) C(12) 149.7(2) no . . .
Cl(1) Hf(1) C(13) C(14) 30.9(4) no . . .
C(13) Hf(1) Cl(1) Mo(2) -115.9(3) no . . .
Cl(1) Hf(1) C(14) C(10) 94.43(18) no . . .
Cl(1) Hf(1) C(14) C(13) -151.6(3) no . . .
C(14) Hf(1) Cl(1) Mo(2) -99.72(17) no . . .
Cl(2) Hf(1) C(1) P(1) -105.9(3) no . . .
Cl(2) Hf(1) C(1) C(2) 130.95(19) no . . .
Cl(2) Hf(1) C(1) C(5) 17.2(3) no . . .
Cl(2) Hf(1) C(2) C(1) -67.4(3) no . . .
Cl(2) Hf(1) C(2) C(3) 46.1(4) no . . .
Cl(2) Hf(1) C(3) C(2) -145.6(3) no . . .
Cl(2) Hf(1) C(3) C(4) -28.6(3) no . . .
Cl(2) Hf(1) C(4) C(3) 151.7(3) no . . .
Cl(2) Hf(1) C(4) C(5) -91.9(3) no . . .
Cl(2) Hf(1) C(5) C(1) -163.9(2) no . . .
Cl(2) Hf(1) C(5) C(4) 81.3(3) no . . .
Cl(2) Hf(1) C(10) P(2) 116.4(3) no . . .
Cl(2) Hf(1) C(10) C(11) -117.8(3) no . . .
Cl(2) Hf(1) C(10) C(14) -5.8(3) no . . .
Cl(2) Hf(1) C(11) C(10) 85.5(4) no . . .
Cl(2) Hf(1) C(11) C(12) -30.7(4) no . . .
Cl(2) Hf(1) C(12) C(11) 156.4(3) no . . .
Cl(2) Hf(1) C(12) C(13) 41.8(4) no . . .
Cl(2) Hf(1) C(13) C(12) -137.5(3) no . . .
Cl(2) Hf(1) C(13) C(14) 103.8(4) no . . .
Cl(2) Hf(1) C(14) C(10) 174.93(19) no . . .
Cl(2) Hf(1) C(14) C(13) -71.1(3) no . . .
C(1) Hf(1) C(2) C(1) -0.0(3) no . . .
C(1) Hf(1) C(2) C(3) 113.6(5) no . . .
C(2) Hf(1) C(1) P(1) 123.1(6) no . . .
C(2) Hf(1) C(1) C(2) 0.0(3) no . . .
C(2) Hf(1) C(1) C(5) -113.7(4) no . . .
C(1) Hf(1) C(3) C(2) -38.6(3) no . . .
C(1) Hf(1) C(3) C(4) 78.4(3) no . . .
C(3) Hf(1) C(1) P(1) 160.8(5) no . . .
C(3) Hf(1) C(1) C(2) 37.6(3) no . . .
C(3) Hf(1) C(1) C(5) -76.1(3) no . . .
C(1) Hf(1) C(4) C(3) -78.5(4) no . . .
C(1) Hf(1) C(4) C(5) 37.9(3) no . . .
C(4) Hf(1) C(1) P(1) -160.0(5) no . . .
C(4) Hf(1) C(1) C(2) 76.8(3) no . . .
C(4) Hf(1) C(1) C(5) -36.9(3) no . . .
C(1) Hf(1) C(5) C(1) -0.0(3) no . . .
C(1) Hf(1) C(5) C(4) -114.8(5) no . . .
C(5) Hf(1) C(1) P(1) -123.1(5) no . . .
C(5) Hf(1) C(1) C(2) 113.7(4) no . . .
C(5) Hf(1) C(1) C(5) -0.0(3) no . . .
C(1) Hf(1) C(10) P(2) -50.2(4) no . . .
C(1) Hf(1) C(10) C(11) 75.6(4) no . . .
C(1) Hf(1) C(10) C(14) -172.43(17) no . . .
C(10) Hf(1) C(1) P(1) 61.5(4) no . . .
C(10) Hf(1) C(1) C(2) -61.6(3) no . . .
C(10) Hf(1) C(1) C(5) -175.32(18) no . . .
C(1) Hf(1) C(11) C(10) -122.7(4) no . . .
C(1) Hf(1) C(11) C(12) 121.1(4) no . . .
C(11) Hf(1) C(1) P(1) 97.4(4) no . . .
C(11) Hf(1) C(1) C(2) -25.8(3) no . . .
C(11) Hf(1) C(1) C(5) -139.5(3) no . . .
C(1) Hf(1) C(12) C(11) -76.4(4) no . . .
C(1) Hf(1) C(12) C(13) 168.9(3) no . . .
C(12) Hf(1) C(1) P(1) 132.3(4) no . . .
C(12) Hf(1) C(1) C(2) 9.1(4) no . . .
C(12) Hf(1) C(1) C(5) -104.6(4) no . . .
C(1) Hf(1) C(13) C(12) -22.6(8) no . . .
C(1) Hf(1) C(13) C(14) -141.3(5) no . . .
C(13) Hf(1) C(1) P(1) 146.6(5) no . . .
C(13) Hf(1) C(1) C(2) 23.5(7) no . . .
C(13) Hf(1) C(1) C(5) -90.2(7) no . . .
C(2) Hf(1) C(3) C(2) 0.0(3) no . . .
C(2) Hf(1) C(3) C(4) 117.0(5) no . . .
C(3) Hf(1) C(2) C(1) -113.6(5) no . . .
C(3) Hf(1) C(2) C(3) 0.0(3) no . . .
C(2) Hf(1) C(4) C(3) -36.7(3) no . . .
C(2) Hf(1) C(4) C(5) 79.7(4) no . . .
C(4) Hf(1) C(2) C(1) -78.3(3) no . . .
C(4) Hf(1) C(2) C(3) 35.3(3) no . . .
C(2) Hf(1) C(5) C(1) 38.3(3) no . . .
C(2) Hf(1) C(5) C(4) -76.5(3) no . . .
C(5) Hf(1) C(2) C(1) -38.0(3) no . . .
C(5) Hf(1) C(2) C(3) 75.6(3) no . . .
C(2) Hf(1) C(10) P(2) -81.0(4) no . . .
C(2) Hf(1) C(10) C(11) 44.8(4) no . . .
C(2) Hf(1) C(10) C(14) 156.8(2) no . . .
C(10) Hf(1) C(2) C(1) 132.7(3) no . . .
C(10) Hf(1) C(2) C(3) -113.8(3) no . . .
C(2) Hf(1) C(11) C(10) -136.9(5) no . . .
C(2) Hf(1) C(11) C(12) 106.9(4) no . . .
C(11) Hf(1) C(2) C(1) 156.1(3) no . . .
C(11) Hf(1) C(2) C(3) -90.4(3) no . . .
C(2) Hf(1) C(12) C(11) -71.4(4) no . . .
C(2) Hf(1) C(12) C(13) 174.0(4) no . . .
C(12) Hf(1) C(2) C(1) -172.6(3) no . . .
C(12) Hf(1) C(2) C(3) -59.0(3) no . . .
C(2) Hf(1) C(13) C(12) -7.2(5) no . . .
C(2) Hf(1) C(13) C(14) -125.9(3) no . . .
C(13) Hf(1) C(2) C(1) -168.8(3) no . . .
C(13) Hf(1) C(2) C(3) -55.3(4) no . . .
C(2) Hf(1) C(14) C(10) -33.5(4) no . . .
C(2) Hf(1) C(14) C(13) 80.5(4) no . . .
C(14) Hf(1) C(2) C(1) 151.4(3) no . . .
C(14) Hf(1) C(2) C(3) -95.0(4) no . . .
C(3) Hf(1) C(4) C(3) -0.0(3) no . . .
C(3) Hf(1) C(4) C(5) 116.4(6) no . . .
C(4) Hf(1) C(3) C(2) -117.0(5) no . . .
C(4) Hf(1) C(3) C(4) 0.0(3) no . . .
C(3) Hf(1) C(5) C(1) 79.1(3) no . . .
C(3) Hf(1) C(5) C(4) -35.7(3) no . . .
C(5) Hf(1) C(3) C(2) -80.2(3) no . . .
C(5) Hf(1) C(3) C(4) 36.8(3) no . . .
C(3) Hf(1) C(10) P(2) -114.9(3) no . . .
C(3) Hf(1) C(10) C(11) 10.9(4) no . . .
C(3) Hf(1) C(10) C(14) 122.8(3) no . . .
C(10) Hf(1) C(3) C(2) 79.1(4) no . . .
C(10) Hf(1) C(3) C(4) -163.9(3) no . . .
C(3) Hf(1) C(11) C(10) -170.2(5) no . . .
C(3) Hf(1) C(11) C(12) 73.5(4) no . . .
C(11) Hf(1) C(3) C(2) 85.2(4) no . . .
C(11) Hf(1) C(3) C(4) -157.9(4) no . . .
C(3) Hf(1) C(12) C(11) -100.3(4) no . . .
C(3) Hf(1) C(12) C(13) 145.1(4) no . . .
C(12) Hf(1) C(3) C(2) 117.7(4) no . . .
C(12) Hf(1) C(3) C(4) -125.3(4) no . . .
C(3) Hf(1) C(13) C(12) -34.4(4) no . . .
C(3) Hf(1) C(13) C(14) -153.1(4) no . . .
C(13) Hf(1) C(3) C(2) 135.6(3) no . . .
C(13) Hf(1) C(3) C(4) -107.5(3) no . . .
C(3) Hf(1) C(14) C(10) -78.7(3) no . . .
C(3) Hf(1) C(14) C(13) 35.3(5) no . . .
C(14) Hf(1) C(3) C(2) 117.0(3) no . . .
C(14) Hf(1) C(3) C(4) -126.1(3) no . . .
C(4) Hf(1) C(5) C(1) 114.8(5) no . . .
C(4) Hf(1) C(5) C(4) 0.0(4) no . . .
C(5) Hf(1) C(4) C(3) -116.4(6) no . . .
C(5) Hf(1) C(4) C(5) 0.0(3) no . . .
C(4) Hf(1) C(10) P(2) -130.3(4) no . . .
C(4) Hf(1) C(10) C(11) -4.5(6) no . . .
C(4) Hf(1) C(10) C(14) 107.4(4) no . . .
C(10) Hf(1) C(4) C(3) 26.7(6) no . . .
C(10) Hf(1) C(4) C(5) 143.1(4) no . . .
C(4) Hf(1) C(11) C(10) 177.3(4) no . . .
C(4) Hf(1) C(11) C(12) 61.1(5) no . . .
C(11) Hf(1) C(4) C(3) 23.9(4) no . . .
C(11) Hf(1) C(4) C(5) 140.4(4) no . . .
C(4) Hf(1) C(12) C(11) -125.9(4) no . . .
C(4) Hf(1) C(12) C(13) 119.5(4) no . . .
C(12) Hf(1) C(4) C(3) 52.4(4) no . . .
C(12) Hf(1) C(4) C(5) 168.9(4) no . . .
C(4) Hf(1) C(13) C(12) -66.6(4) no . . .
C(4) Hf(1) C(13) C(14) 174.6(3) no . . .
C(13) Hf(1) C(4) C(3) 81.3(4) no . . .
C(13) Hf(1) C(4) C(5) -162.2(3) no . . .
C(4) Hf(1) C(14) C(10) -122.1(4) no . . .
C(4) Hf(1) C(14) C(13) -8.2(6) no . . .
C(14) Hf(1) C(4) C(3) 86.0(5) no . . .
C(14) Hf(1) C(4) C(5) -157.6(3) no . . .
C(5) Hf(1) C(11) C(10) -153.4(3) no . . .
C(5) Hf(1) C(11) C(12) 90.4(5) no . . .
C(11) Hf(1) C(5) C(1) 58.2(4) no . . .
C(11) Hf(1) C(5) C(4) -56.6(5) no . . .
C(5) Hf(1) C(12) C(11) -118.4(3) no . . .
C(5) Hf(1) C(12) C(13) 127.0(3) no . . .
C(12) Hf(1) C(5) C(1) 100.9(4) no . . .
C(12) Hf(1) C(5) C(4) -13.9(5) no . . .
C(5) Hf(1) C(13) C(12) -81.4(5) no . . .
C(5) Hf(1) C(13) C(14) 159.9(3) no . . .
C(13) Hf(1) C(5) C(1) 141.2(4) no . . .
C(13) Hf(1) C(5) C(4) 26.4(6) no . . .
C(10) Hf(1) C(11) C(10) -0.0(4) no . . .
C(10) Hf(1) C(11) C(12) -116.2(7) no . . .
C(11) Hf(1) C(10) P(2) -125.8(7) no . . .
C(11) Hf(1) C(10) C(11) -0.0(5) no . . .
C(11) Hf(1) C(10) C(14) 112.0(6) no . . .
C(10) Hf(1) C(12) C(11) 37.3(3) no . . .
C(10) Hf(1) C(12) C(13) -77.4(4) no . . .
C(12) Hf(1) C(10) P(2) -161.9(5) no . . .
C(12) Hf(1) C(10) C(11) -36.1(4) no . . .
C(12) Hf(1) C(10) C(14) 75.8(4) no . . .
C(10) Hf(1) C(13) C(12) 80.1(4) no . . .
C(10) Hf(1) C(13) C(14) -38.7(3) no . . .
C(13) Hf(1) C(10) P(2) 159.4(5) no . . .
C(13) Hf(1) C(10) C(11) -74.8(3) no . . .
C(13) Hf(1) C(10) C(14) 37.1(3) no . . .
C(10) Hf(1) C(14) C(10) -0.0(2) no . . .
C(10) Hf(1) C(14) C(13) 113.9(5) no . . .
C(14) Hf(1) C(10) P(2) 122.3(5) no . . .
C(14) Hf(1) C(10) C(11) -112.0(4) no . . .
C(14) Hf(1) C(10) C(14) -0.0(2) no . . .
C(11) Hf(1) C(12) C(11) 0.0(4) no . . .
C(11) Hf(1) C(12) C(13) -114.6(6) no . . .
C(12) Hf(1) C(11) C(10) 116.2(7) no . . .
C(12) Hf(1) C(11) C(12) 0.0(4) no . . .
C(11) Hf(1) C(13) C(12) 38.0(3) no . . .
C(11) Hf(1) C(13) C(14) -80.8(4) no . . .
C(13) Hf(1) C(11) C(10) 79.8(5) no . . .
C(13) Hf(1) C(11) C(12) -36.4(3) no . . .
C(11) Hf(1) C(14) C(10) -39.1(3) no . . .
C(11) Hf(1) C(14) C(13) 74.9(4) no . . .
C(14) Hf(1) C(11) C(10) 39.2(3) no . . .
C(14) Hf(1) C(11) C(12) -77.0(4) no . . .
C(12) Hf(1) C(13) C(12) -0.0(4) no . . .
C(12) Hf(1) C(13) C(14) -118.7(7) no . . .
C(13) Hf(1) C(12) C(11) 114.6(6) no . . .
C(13) Hf(1) C(12) C(13) 0.0(3) no . . .
C(12) Hf(1) C(14) C(10) -79.6(4) no . . .
C(12) Hf(1) C(14) C(13) 34.4(4) no . . .
C(14) Hf(1) C(12) C(11) 79.0(4) no . . .
C(14) Hf(1) C(12) C(13) -35.6(3) no . . .
C(13) Hf(1) C(14) C(10) -113.9(6) no . . .
C(13) Hf(1) C(14) C(13) 0.0(4) no . . .
C(14) Hf(1) C(13) C(12) 118.7(7) no . . .
C(14) Hf(1) C(13) C(14) 0.0(3) no . . .
Cl(3) Mo(2) Cl(1) Hf(1) -2.83(9) no . . .
Cl(1) Mo(2) P(1) C(1) 61.60(8) no . . .
Cl(1) Mo(2) P(1) C(6) -52.32(8) no . . .
Cl(1) Mo(2) P(1) C(8) -177.39(8) no . . .
P(1) Mo(2) Cl(1) Hf(1) -67.95(5) no . . .
Cl(1) Mo(2) P(2) C(10) -50.31(10) no . . .
Cl(1) Mo(2) P(2) C(15) 64.34(10) no . . .
Cl(1) Mo(2) P(2) C(17) -156.11(9) no . . .
P(2) Mo(2) Cl(1) Hf(1) 66.31(5) no . . .
Cl(1) Mo(2) C(19) C(20) 153.1(3) no . . .
Cl(1) Mo(2) C(19) C(23) -92.1(3) no . . .
Cl(1) Mo(2) C(19) C(24) 26.3(5) no . . .
C(19) Mo(2) Cl(1) Hf(1) -162.30(16) no . . .
Cl(1) Mo(2) C(20) C(19) -29.8(3) no . . .
Cl(1) Mo(2) C(20) C(21) -147.67(18) no . . .
Cl(1) Mo(2) C(20) C(25) 90.8(6) no . . .
C(20) Mo(2) Cl(1) Hf(1) -145.44(16) no . . .
Cl(1) Mo(2) C(21) C(20) 51.4(4) no . . .
Cl(1) Mo(2) C(21) C(22) -66.2(4) no . . .
Cl(1) Mo(2) C(21) C(26) 173.0(3) no . . .
C(21) Mo(2) Cl(1) Hf(1) -174.9(3) no . . .
Cl(1) Mo(2) C(22) C(21) 139.0(2) no . . .
Cl(1) Mo(2) C(22) C(23) 21.6(3) no . . .
Cl(1) Mo(2) C(22) C(27) -100.3(6) no . . .
C(22) Mo(2) Cl(1) Hf(1) 148.07(19) no . . .
Cl(1) Mo(2) C(23) C(19) 84.5(3) no . . .
Cl(1) Mo(2) C(23) C(22) -161.4(3) no . . .
Cl(1) Mo(2) C(23) C(28) -33.0(5) no . . .
C(23) Mo(2) Cl(1) Hf(1) 160.64(17) no . . .
Cl(3) Mo(2) P(1) C(1) -77.48(8) no . . .
Cl(3) Mo(2) P(1) C(6) 168.60(9) no . . .
Cl(3) Mo(2) P(1) C(8) 43.53(7) no . . .
Cl(3) Mo(2) P(2) C(10) 87.57(10) no . . .
Cl(3) Mo(2) P(2) C(15) -157.79(11) no . . .
Cl(3) Mo(2) P(2) C(17) -18.24(9) no . . .
Cl(3) Mo(2) C(19) C(20) -5.4(4) no . . .
Cl(3) Mo(2) C(19) C(23) 109.4(3) no . . .
Cl(3) Mo(2) C(19) C(24) -132.3(4) no . . .
Cl(3) Mo(2) C(20) C(19) 176.24(19) no . . .
Cl(3) Mo(2) C(20) C(21) 58.4(3) no . . .
Cl(3) Mo(2) C(20) C(25) -63.2(7) no . . .
Cl(3) Mo(2) C(21) C(20) -123.0(3) no . . .
Cl(3) Mo(2) C(21) C(22) 119.5(3) no . . .
Cl(3) Mo(2) C(21) C(26) -1.4(5) no . . .
Cl(3) Mo(2) C(22) C(21) -61.5(3) no . . .
Cl(3) Mo(2) C(22) C(23) -178.80(19) no . . .
Cl(3) Mo(2) C(22) C(27) 59.3(6) no . . .
Cl(3) Mo(2) C(23) C(19) -112.4(3) no . . .
Cl(3) Mo(2) C(23) C(22) 1.7(4) no . . .
Cl(3) Mo(2) C(23) C(28) 130.1(4) no . . .
P(1) Mo(2) P(2) C(10) 23.68(16) no . . .
P(1) Mo(2) P(2) C(15) 138.33(9) no . . .
P(1) Mo(2) P(2) C(17) -82.12(13) no . . .
P(2) Mo(2) P(1) C(1) -12.91(14) no . . .
P(2) Mo(2) P(1) C(6) -126.83(10) no . . .
P(2) Mo(2) P(1) C(8) 108.10(10) no . . .
P(1) Mo(2) C(19) C(20) 71.0(3) no . . .
P(1) Mo(2) C(19) C(23) -174.2(3) no . . .
P(1) Mo(2) C(19) C(24) -55.9(5) no . . .
C(19) Mo(2) P(1) C(1) 144.72(18) no . . .
C(19) Mo(2) P(1) C(6) 30.80(18) no . . .
C(19) Mo(2) P(1) C(8) -94.27(18) no . . .
P(1) Mo(2) C(20) C(19) -107.6(3) no . . .
P(1) Mo(2) C(20) C(21) 134.5(3) no . . .
P(1) Mo(2) C(20) C(25) 12.9(6) no . . .
C(20) Mo(2) P(1) C(1) 178.4(2) no . . .
C(20) Mo(2) P(1) C(6) 64.4(2) no . . .
C(20) Mo(2) P(1) C(8) -60.63(19) no . . .
P(1) Mo(2) C(21) C(20) -47.4(3) no . . .
P(1) Mo(2) C(21) C(22) -165.0(2) no . . .
P(1) Mo(2) C(21) C(26) 74.2(5) no . . .
C(21) Mo(2) P(1) C(1) -156.58(19) no . . .
C(21) Mo(2) P(1) C(6) 89.5(2) no . . .
C(21) Mo(2) P(1) C(8) -35.6(2) no . . .
P(1) Mo(2) C(22) C(21) 22.5(5) no . . .
P(1) Mo(2) C(22) C(23) -94.9(3) no . . .
P(1) Mo(2) C(22) C(27) 143.2(5) no . . .
C(22) Mo(2) P(1) C(1) -169.7(3) no . . .
C(22) Mo(2) P(1) C(6) 76.4(3) no . . .
C(22) Mo(2) P(1) C(8) -48.7(3) no . . .
P(1) Mo(2) C(23) C(19) 7.6(4) no . . .
P(1) Mo(2) C(23) C(22) 121.8(2) no . . .
P(1) Mo(2) C(23) C(28) -109.9(5) no . . .
C(23) Mo(2) P(1) C(1) 140.1(3) no . . .
C(23) Mo(2) P(1) C(6) 26.2(3) no . . .
C(23) Mo(2) P(1) C(8) -98.9(3) no . . .
P(2) Mo(2) C(19) C(20) -130.52(18) no . . .
P(2) Mo(2) C(19) C(23) -15.7(4) no . . .
P(2) Mo(2) C(19) C(24) 102.7(5) no . . .
C(19) Mo(2) P(2) C(10) -126.6(3) no . . .
C(19) Mo(2) P(2) C(15) -12.0(3) no . . .
C(19) Mo(2) P(2) C(17) 127.5(3) no . . .
P(2) Mo(2) C(20) C(19) 86.7(4) no . . .
P(2) Mo(2) C(20) C(21) -31.2(5) no . . .
P(2) Mo(2) C(20) C(25) -152.8(4) no . . .
C(20) Mo(2) P(2) C(10) -175.7(3) no . . .
C(20) Mo(2) P(2) C(15) -61.0(4) no . . .
C(20) Mo(2) P(2) C(17) 78.5(4) no . . .
P(2) Mo(2) C(21) C(20) 160.88(17) no . . .
P(2) Mo(2) C(21) C(22) 43.3(3) no . . .
P(2) Mo(2) C(21) C(26) -77.5(5) no . . .
C(21) Mo(2) P(2) C(10) 165.70(19) no . . .
C(21) Mo(2) P(2) C(15) -79.7(2) no . . .
C(21) Mo(2) P(2) C(17) 59.9(2) no . . .
P(2) Mo(2) C(22) C(21) -140.5(3) no . . .
P(2) Mo(2) C(22) C(23) 102.1(3) no . . .
P(2) Mo(2) C(22) C(27) -19.8(6) no . . .
C(22) Mo(2) P(2) C(10) -171.2(2) no . . .
C(22) Mo(2) P(2) C(15) -56.6(2) no . . .
C(22) Mo(2) P(2) C(17) 83.0(2) no . . .
P(2) Mo(2) C(23) C(19) 168.0(3) no . . .
P(2) Mo(2) C(23) C(22) -77.9(3) no . . .
P(2) Mo(2) C(23) C(28) 50.5(5) no . . .
C(23) Mo(2) P(2) C(10) -136.0(2) no . . .
C(23) Mo(2) P(2) C(15) -21.4(2) no . . .
C(23) Mo(2) P(2) C(17) 118.18(19) no . . .
C(19) Mo(2) C(20) C(19) -0.0(3) no . . .
C(19) Mo(2) C(20) C(21) -117.9(5) no . . .
C(19) Mo(2) C(20) C(25) 120.5(8) no . . .
C(20) Mo(2) C(19) C(20) -0.0(3) no . . .
C(20) Mo(2) C(19) C(23) 114.9(5) no . . .
C(20) Mo(2) C(19) C(24) -126.8(7) no . . .
C(19) Mo(2) C(21) C(20) 36.7(3) no . . .
C(19) Mo(2) C(21) C(22) -80.8(3) no . . .
C(19) Mo(2) C(21) C(26) 158.4(6) no . . .
C(21) Mo(2) C(19) C(20) -36.0(3) no . . .
C(21) Mo(2) C(19) C(23) 78.9(3) no . . .
C(21) Mo(2) C(19) C(24) -162.8(6) no . . .
C(19) Mo(2) C(22) C(21) 77.9(3) no . . .
C(19) Mo(2) C(22) C(23) -39.4(3) no . . .
C(19) Mo(2) C(22) C(27) -161.3(7) no . . .
C(22) Mo(2) C(19) C(20) -76.5(3) no . . .
C(22) Mo(2) C(19) C(23) 38.4(3) no . . .
C(22) Mo(2) C(19) C(24) 156.7(6) no . . .
C(19) Mo(2) C(23) C(19) -0.0(3) no . . .
C(19) Mo(2) C(23) C(22) 114.1(5) no . . .
C(19) Mo(2) C(23) C(28) -117.5(7) no . . .
C(23) Mo(2) C(19) C(20) -114.9(5) no . . .
C(23) Mo(2) C(19) C(23) 0.0(3) no . . .
C(23) Mo(2) C(19) C(24) 118.3(7) no . . .
C(20) Mo(2) C(21) C(20) 0.0(3) no . . .
C(20) Mo(2) C(21) C(22) -117.6(5) no . . .
C(20) Mo(2) C(21) C(26) 121.6(6) no . . .
C(21) Mo(2) C(20) C(19) 117.9(5) no . . .
C(21) Mo(2) C(20) C(21) 0.0(3) no . . .
C(21) Mo(2) C(20) C(25) -121.6(8) no . . .
C(20) Mo(2) C(22) C(21) 36.4(3) no . . .
C(20) Mo(2) C(22) C(23) -80.9(3) no . . .
C(20) Mo(2) C(22) C(27) 157.1(7) no . . .
C(22) Mo(2) C(20) C(19) 81.5(3) no . . .
C(22) Mo(2) C(20) C(21) -36.4(3) no . . .
C(22) Mo(2) C(20) C(25) -158.0(8) no . . .
C(20) Mo(2) C(23) C(19) -37.6(3) no . . .
C(20) Mo(2) C(23) C(22) 76.6(3) no . . .
C(20) Mo(2) C(23) C(28) -155.1(7) no . . .
C(23) Mo(2) C(20) C(19) 39.2(3) no . . .
C(23) Mo(2) C(20) C(21) -78.7(3) no . . .
C(23) Mo(2) C(20) C(25) 159.7(8) no . . .
C(21) Mo(2) C(22) C(21) 0.0(3) no . . .
C(21) Mo(2) C(22) C(23) -117.3(5) no . . .
C(21) Mo(2) C(22) C(27) 120.7(8) no . . .
C(22) Mo(2) C(21) C(20) 117.6(5) no . . .
C(22) Mo(2) C(21) C(22) -0.0(3) no . . .
C(22) Mo(2) C(21) C(26) -120.8(7) no . . .
C(21) Mo(2) C(23) C(19) -78.1(3) no . . .
C(21) Mo(2) C(23) C(22) 36.0(3) no . . .
C(21) Mo(2) C(23) C(28) 164.4(7) no . . .
C(23) Mo(2) C(21) C(20) 80.1(3) no . . .
C(23) Mo(2) C(21) C(22) -37.5(3) no . . .
C(23) Mo(2) C(21) C(26) -158.3(6) no . . .
C(22) Mo(2) C(23) C(19) -114.1(5) no . . .
C(22) Mo(2) C(23) C(22) 0.0(3) no . . .
C(22) Mo(2) C(23) C(28) 128.3(7) no . . .
C(23) Mo(2) C(22) C(21) 117.3(5) no . . .
C(23) Mo(2) C(22) C(23) -0.0(3) no . . .
C(23) Mo(2) C(22) C(27) -121.9(8) no . . .
Mo(2) P(1) C(1) Hf(1) -22.0(4) no . . .
Mo(2) P(1) C(1) C(2) 59.8(5) no . . .
Mo(2) P(1) C(1) C(5) -103.8(5) no . . .
Mo(2) P(1) C(6) C(7) 179.4(3) no . . .
Mo(2) P(1) C(8) C(9) -130.2(4) no . . .
C(1) P(1) C(6) C(7) 61.4(4) no . . .
C(6) P(1) C(1) Hf(1) 103.7(3) no . . .
C(6) P(1) C(1) C(2) -174.5(5) no . . .
C(6) P(1) C(1) C(5) 21.9(5) no . . .
C(1) P(1) C(8) C(9) -8.4(6) no . . .
C(8) P(1) C(1) Hf(1) -149.6(3) no . . .
C(8) P(1) C(1) C(2) -67.8(6) no . . .
C(8) P(1) C(1) C(5) 128.7(5) no . . .
C(6) P(1) C(8) C(9) 96.9(5) no . . .
C(8) P(1) C(6) C(7) -48.5(4) no . . .
Mo(2) P(2) C(10) Hf(1) 6.9(4) no . . .
Mo(2) P(2) C(10) C(11) -74.5(6) no . . .
Mo(2) P(2) C(10) C(14) 89.0(5) no . . .
Mo(2) P(2) C(15) C(16) -177.0(3) no . . .
Mo(2) P(2) C(17) C(18) -61.0(7) no . . .
C(10) P(2) C(15) C(16) -56.4(5) no . . .
C(15) P(2) C(10) Hf(1) -118.3(4) no . . .
C(15) P(2) C(10) C(11) 160.4(6) no . . .
C(15) P(2) C(10) C(14) -36.2(6) no . . .
C(10) P(2) C(17) C(18) -177.3(7) no . . .
C(17) P(2) C(10) Hf(1) 135.7(5) no . . .
C(17) P(2) C(10) C(11) 54.4(7) no . . .
C(17) P(2) C(10) C(14) -142.2(6) no . . .
C(15) P(2) C(17) C(18) 82.3(7) no . . .
C(17) P(2) C(15) C(16) 36.1(6) no . . .
Hf(1) C(1) C(2) Hf(1) 0.0 no . . .
Hf(1) C(1) C(2) C(3) -69.8(4) no . . .
Hf(1) C(1) C(5) Hf(1) -0.0 no . . .
Hf(1) C(1) C(5) C(4) 68.0(4) no . . .
P(1) C(1) C(2) Hf(1) -100.5(5) no . . .
P(1) C(1) C(2) C(3) -170.3(4) no . . .
P(1) C(1) C(5) Hf(1) 100.5(5) no . . .
P(1) C(1) C(5) C(4) 168.5(4) no . . .
C(2) C(1) C(5) Hf(1) -65.8(4) no . . .
C(2) C(1) C(5) C(4) 2.3(6) no . . .
C(5) C(1) C(2) Hf(1) 65.7(4) no . . .
C(5) C(1) C(2) C(3) -4.0(6) no . . .
Hf(1) C(2) C(3) Hf(1) 0.0 no . . .
Hf(1) C(2) C(3) C(4) -62.9(4) no . . .
C(1) C(2) C(3) Hf(1) 67.2(5) no . . .
C(1) C(2) C(3) C(4) 4.3(7) no . . .
Hf(1) C(3) C(4) Hf(1) 0.0 no . . .
Hf(1) C(3) C(4) C(5) -64.4(4) no . . .
C(2) C(3) C(4) Hf(1) 61.4(5) no . . .
C(2) C(3) C(4) C(5) -3.0(7) no . . .
Hf(1) C(4) C(5) Hf(1) 0.0 no . . .
Hf(1) C(4) C(5) C(1) -66.7(4) no . . .
C(3) C(4) C(5) Hf(1) 67.1(5) no . . .
C(3) C(4) C(5) C(1) 0.4(7) no . . .
Hf(1) C(10) C(11) Hf(1) -0.0 no . . .
Hf(1) C(10) C(11) C(12) 68.7(5) no . . .
Hf(1) C(10) C(14) Hf(1) 0.0 no . . .
Hf(1) C(10) C(14) C(13) -68.7(4) no . . .
P(2) C(10) C(11) Hf(1) 99.5(6) no . . .
P(2) C(10) C(11) C(12) 168.2(5) no . . .
P(2) C(10) C(14) Hf(1) -101.0(6) no . . .
P(2) C(10) C(14) C(13) -169.7(5) no . . .
C(11) C(10) C(14) Hf(1) 65.7(5) no . . .
C(11) C(10) C(14) C(13) -3.0(7) no . . .
C(14) C(10) C(11) Hf(1) -66.6(5) no . . .
C(14) C(10) C(11) C(12) 2.2(8) no . . .
Hf(1) C(11) C(12) Hf(1) 0.0 no . . .
Hf(1) C(11) C(12) C(13) 66.6(5) no . . .
C(10) C(11) C(12) Hf(1) -67.1(6) no . . .
C(10) C(11) C(12) C(13) -0.5(9) no . . .
Hf(1) C(12) C(13) Hf(1) 0.0 no . . .
Hf(1) C(12) C(13) C(14) 62.1(5) no . . .
C(11) C(12) C(13) Hf(1) -63.6(6) no . . .
C(11) C(12) C(13) C(14) -1.5(9) no . . .
Hf(1) C(13) C(14) Hf(1) 0.0 no . . .
Hf(1) C(13) C(14) C(10) 66.4(4) no . . .
C(12) C(13) C(14) Hf(1) -63.5(6) no . . .
C(12) C(13) C(14) C(10) 2.9(9) no . . .
Mo(2) C(19) C(20) Mo(2) -0.000(13) no . . .
Mo(2) C(19) C(20) C(21) 63.3(3) no . . .
Mo(2) C(19) C(20) C(25) -131.7(5) no . . .
Mo(2) C(19) C(23) Mo(2) 0.000(16) no . . .
Mo(2) C(19) C(23) C(22) -68.1(3) no . . .
Mo(2) C(19) C(23) C(28) 126.6(4) no . . .
C(20) C(19) C(23) Mo(2) 68.6(4) no . . .
C(20) C(19) C(23) C(22) 0.4(5) no . . .
C(20) C(19) C(23) C(28) -164.8(4) no . . .
C(23) C(19) C(20) Mo(2) -64.7(4) no . . .
C(23) C(19) C(20) C(21) -1.4(5) no . . .
C(23) C(19) C(20) C(25) 163.7(4) no . . .
C(24) C(19) C(20) Mo(2) 131.2(5) no . . .
C(24) C(19) C(20) C(21) -165.6(4) no . . .
C(24) C(19) C(20) C(25) -0.5(8) no . . .
C(24) C(19) C(23) Mo(2) -126.7(5) no . . .
C(24) C(19) C(23) C(22) 165.1(4) no . . .
C(24) C(19) C(23) C(28) -0.1(7) no . . .
Mo(2) C(20) C(21) Mo(2) 0.000(13) no . . .
Mo(2) C(20) C(21) C(22) 61.1(3) no . . .
Mo(2) C(20) C(21) C(26) -123.7(5) no . . .
C(19) C(20) C(21) Mo(2) -59.3(4) no . . .
C(19) C(20) C(21) C(22) 1.8(5) no . . .
C(19) C(20) C(21) C(26) 177.0(4) no . . .
C(25) C(20) C(21) Mo(2) 135.0(5) no . . .
C(25) C(20) C(21) C(22) -163.9(5) no . . .
C(25) C(20) C(21) C(26) 11.3(8) no . . .
Mo(2) C(21) C(22) Mo(2) 0.000(16) no . . .
Mo(2) C(21) C(22) C(23) 60.3(3) no . . .
Mo(2) C(21) C(22) C(27) -136.7(5) no . . .
C(20) C(21) C(22) Mo(2) -61.9(4) no . . .
C(20) C(21) C(22) C(23) -1.5(6) no . . .
C(20) C(21) C(22) C(27) 161.4(4) no . . .
C(26) C(21) C(22) Mo(2) 123.0(6) no . . .
C(26) C(21) C(22) C(23) -176.7(5) no . . .
C(26) C(21) C(22) C(27) -13.8(8) no . . .
Mo(2) C(22) C(23) Mo(2) -0.000(14) no . . .
Mo(2) C(22) C(23) C(19) 65.5(3) no . . .
Mo(2) C(22) C(23) C(28) -130.3(5) no . . .
C(21) C(22) C(23) Mo(2) -64.8(4) no . . .
C(21) C(22) C(23) C(19) 0.7(5) no . . .
C(21) C(22) C(23) C(28) 164.8(5) no . . .
C(27) C(22) C(23) Mo(2) 133.5(6) no . . .
C(27) C(22) C(23) C(19) -161.0(5) no . . .
C(27) C(22) C(23) C(28) 3.2(9) no . . .
C(30) C(29) C(31) C(30) 1.3(14) no . 2_576 2_576
C(31) C(29) C(30) C(31) -1.2(12) no 2_576 . .
C(29) C(30) C(31) C(29) 1.2(13) no . . 2_576
