#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:13:48 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178694 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/05/4080563.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_4080563
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 Mo P2 Zr'
_chemical_formula_sum            'C31 H46 Cl3 Mo P2 Zr'
_chemical_formula_weight         774.17
_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                102.4071(13)
_cell_angle_beta                 105.3602(14)
_cell_angle_gamma                97.6556(14)
_cell_formula_units_Z            2
_cell_length_a                   10.4206(5)
_cell_length_b                   11.3899(5)
_cell_length_c                   14.6949(6)
_cell_measurement_reflns_used    12061
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.06
_cell_volume                     1608.73(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 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.0428
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13277
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             790.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.780
_refine_diff_density_min         -1.030
_refine_ls_extinction_coef       11(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     383
_refine_ls_number_reflns         7095
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[2.6300σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1007
_reflns_number_gt                5801
_reflns_number_total             7095
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om400088d_si_002.cif
_cod_data_source_block           '_3a'
_cod_original_cell_volume        1608.74(12)
_cod_database_code               4080563
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
Mo(1) Mo 0.66643(4) 0.71465(3) 0.32169(3) 0.01581(10) Uani 1.0 2 d .
Zr(1) Zr 0.33906(4) 0.54644(4) 0.21203(3) 0.01779(12) Uani 1.0 2 d .
Cl(1) Cl 0.46746(10) 0.68102(9) 0.38364(7) 0.0171(3) Uani 1.0 2 d .
Cl(2) Cl 0.16060(11) 0.50862(10) 0.29874(8) 0.0289(4) Uani 1.0 2 d .
Cl(3) Cl 0.71102(11) 0.64073(10) 0.16124(7) 0.0230(3) Uani 1.0 2 d .
P(1) P 0.66014(11) 0.49262(10) 0.31243(8) 0.0169(3) Uani 1.0 2 d .
P(2) P 0.52501(13) 0.82849(11) 0.22112(10) 0.0276(4) Uani 1.0 2 d .
C(1) C 0.5008(5) 0.4053(4) 0.2278(3) 0.0193(12) Uani 1.0 2 d .
C(2) C 0.4529(5) 0.4019(4) 0.1266(3) 0.0235(13) Uani 1.0 2 d .
C(3) C 0.3154(5) 0.3429(4) 0.0904(3) 0.0250(13) Uani 1.0 2 d .
C(4) C 0.2734(5) 0.3160(4) 0.1680(3) 0.0249(13) Uani 1.0 2 d .
C(5) C 0.3875(5) 0.3549(4) 0.2516(3) 0.0192(12) Uani 1.0 2 d .
C(6) C 0.6577(5) 0.4369(4) 0.4198(3) 0.0214(12) Uani 1.0 2 d .
C(7) C 0.6503(5) 0.2979(4) 0.4073(3) 0.0212(12) Uani 1.0 2 d .
C(8) C 0.7933(5) 0.4249(4) 0.2730(3) 0.0215(13) Uani 1.0 2 d .
C(9) C 0.7501(5) 0.3052(5) 0.1923(3) 0.0367(16) Uani 1.0 2 d .
C(10) C 0.3605(5) 0.7333(4) 0.1538(3) 0.0231(13) Uani 1.0 2 d .
C(11) C 0.3305(7) 0.6312(5) 0.0709(4) 0.0453(18) Uani 1.0 2 d .
C(12) C 0.1990(8) 0.5703(5) 0.0523(4) 0.065(2) Uani 1.0 2 d .
C(13) C 0.1449(6) 0.6297(5) 0.1221(4) 0.0499(17) Uani 1.0 2 d .
C(14) C 0.2449(5) 0.7293(4) 0.1855(3) 0.0247(13) Uani 1.0 2 d .
C(15) C 0.4739(5) 0.9625(4) 0.2838(4) 0.0394(15) Uani 1.0 2 d .
C(16) C 0.3786(5) 1.0265(5) 0.2187(4) 0.0439(16) Uani 1.0 2 d .
C(17) C 0.6071(7) 0.9051(6) 0.1472(5) 0.0155(15) Uiso 0.6000 2 d .
C(18) C 0.5118(8) 0.8832(8) 0.0410(6) 0.0302(19) Uiso 0.6000 2 d .
C(19) C 0.5420(11) 0.8387(11) 0.0878(8) 0.023(3) Uiso 0.4000 2 d .
C(20) C 0.6745(11) 0.9172(10) 0.1031(8) 0.024(3) Uiso 0.4000 2 d .
C(21) C 0.9048(4) 0.8094(4) 0.3765(3) 0.0221(12) Uani 1.0 2 d .
C(22) C 0.8835(5) 0.7339(4) 0.4380(3) 0.0218(12) Uani 1.0 2 d .
C(23) C 0.7867(5) 0.7761(4) 0.4835(3) 0.0208(12) Uani 1.0 2 d .
C(24) C 0.7502(5) 0.8811(4) 0.4505(3) 0.0212(12) Uani 1.0 2 d .
C(25) C 0.8258(5) 0.9005(4) 0.3840(3) 0.0224(12) Uani 1.0 2 d .
C(26) C 1.0034(5) 0.8007(5) 0.3193(4) 0.0311(14) Uani 1.0 2 d .
C(27) C 0.9737(5) 0.6485(4) 0.4681(4) 0.0284(14) Uani 1.0 2 d .
C(28) C 0.7544(5) 0.7425(4) 0.5697(3) 0.0263(13) Uani 1.0 2 d .
C(29) C 0.6783(5) 0.9676(4) 0.5012(4) 0.0299(14) Uani 1.0 2 d .
C(30) C 0.8532(5) 1.0179(4) 0.3541(3) 0.0259(13) Uani 1.0 2 d .
C(31) C 0.9404(9) 0.0359(8) 0.0662(5) 0.093(4) Uani 1.0 2 d .
C(32) C 0.9485(8) 0.1092(6) 0.0052(5) 0.070(3) Uani 1.0 2 d .
C(33) C 1.0109(9) 0.0703(7) -0.0622(5) 0.088(3) Uani 1.0 2 d .
H(1) H 0.5042 0.4361 0.0922 0.0295 Uiso 1.0 2 calc R
H(2) H 0.2605 0.3250 0.0260 0.0280 Uiso 1.0 2 calc R
H(3) H 0.1879 0.2764 0.1654 0.0291 Uiso 1.0 2 calc R
H(4) H 0.3892 0.3508 0.3144 0.0251 Uiso 1.0 2 calc R
H(5) H 0.7382 0.4701 0.4759 0.0261 Uiso 1.0 2 calc R
H(6) H 0.5798 0.4473 0.4428 0.0259 Uiso 1.0 2 calc R
H(7) H 0.7281 0.2764 0.3896 0.0272 Uiso 1.0 2 calc R
H(8) H 0.6498 0.2773 0.4672 0.0273 Uiso 1.0 2 calc R
H(9) H 0.5690 0.2535 0.3564 0.0273 Uiso 1.0 2 calc R
H(10) H 0.8449 0.4717 0.2419 0.0308 Uiso 1.0 2 calc R
H(11) H 0.8601 0.3998 0.3209 0.0308 Uiso 1.0 2 calc R
H(12) H 0.6891 0.3164 0.1345 0.0470 Uiso 1.0 2 calc R
H(13) H 0.8280 0.2798 0.1774 0.0467 Uiso 1.0 2 calc R
H(14) H 0.7045 0.2434 0.2146 0.0469 Uiso 1.0 2 calc R
H(15) H 0.3904 0.6122 0.0356 0.0576 Uiso 1.0 2 calc R
H(16) H 0.1532 0.5022 0.0004 0.0654 Uiso 1.0 2 calc R
H(17) H 0.0578 0.6040 0.1248 0.0500 Uiso 1.0 2 calc R
H(18) H 0.2336 0.7829 0.2390 0.0298 Uiso 1.0 2 calc R
H(19) H 0.4186 0.9472 0.3254 0.0417 Uiso 1.0 2 calc R
H(20) H 0.5445 1.0339 0.3216 0.0419 Uiso 1.0 2 calc R
H(21) H 0.2991 0.9652 0.1802 0.0516 Uiso 1.0 2 calc R
H(22) H 0.3522 1.0955 0.2540 0.0516 Uiso 1.0 2 calc R
H(23) H 0.4260 1.0526 0.1763 0.0516 Uiso 1.0 2 calc R
H(24) H 1.0748 0.8726 0.3441 0.0396 Uiso 1.0 2 calc R
H(25) H 1.0417 0.7295 0.3248 0.0394 Uiso 1.0 2 calc R
H(26) H 0.9571 0.7932 0.2519 0.0396 Uiso 1.0 2 calc R
H(27) H 0.9207 0.5708 0.4641 0.0353 Uiso 1.0 2 calc R
H(28) H 1.0286 0.6366 0.4251 0.0351 Uiso 1.0 2 calc R
H(29) H 1.0313 0.6842 0.5340 0.0353 Uiso 1.0 2 calc R
H(30) H 0.8330 0.7652 0.6265 0.0306 Uiso 1.0 2 calc R
H(31) H 0.6853 0.7849 0.5835 0.0306 Uiso 1.0 2 calc R
H(32) H 0.7207 0.6555 0.5530 0.0305 Uiso 1.0 2 calc R
H(33) H 0.7290 1.0021 0.5689 0.0350 Uiso 1.0 2 calc R
H(34) H 0.6661 1.0324 0.4694 0.0349 Uiso 1.0 2 calc R
H(35) H 0.5911 0.9221 0.4961 0.0349 Uiso 1.0 2 calc R
H(36) H 0.8423 0.9958 0.2852 0.0304 Uiso 1.0 2 calc R
H(37) H 0.7897 1.0683 0.3667 0.0304 Uiso 1.0 2 calc R
H(38) H 0.9441 1.0626 0.3889 0.0305 Uiso 1.0 2 calc R
H(39) H 0.8953 0.0571 0.1122 0.1108 Uiso 1.0 2 calc R
H(40) H 0.9165 0.1818 0.0074 0.0747 Uiso 1.0 2 calc R
H(41) H 1.0147 0.1163 -0.1070 0.1020 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)
;
Zr Zr -2.9673 0.5597
;
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)
;
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) Mo(1) Cl(3) 135.04(4) yes . .
Cl(1) Mo(1) P(1) 83.50(4) yes . .
Cl(1) Mo(1) P(2) 83.86(5) yes . .
Cl(1) Mo(1) C(21) 141.43(12) yes . .
Cl(1) Mo(1) C(22) 115.30(13) yes . .
Cl(1) Mo(1) C(23) 83.75(13) yes . .
Cl(1) Mo(1) C(24) 86.23(13) yes . .
Cl(1) Mo(1) C(25) 120.74(13) yes . .
Cl(3) Mo(1) P(1) 78.60(4) yes . .
Cl(3) Mo(1) P(2) 79.76(5) yes . .
Cl(3) Mo(1) C(21) 83.34(12) yes . .
Cl(3) Mo(1) C(22) 102.45(12) yes . .
Cl(3) Mo(1) C(23) 137.82(13) yes . .
Cl(3) Mo(1) C(24) 135.75(13) yes . .
Cl(3) Mo(1) C(25) 99.27(13) yes . .
P(1) Mo(1) P(2) 133.88(4) yes . .
P(1) Mo(1) C(21) 105.22(12) yes . .
P(1) Mo(1) C(22) 81.60(11) yes . .
P(1) Mo(1) C(23) 93.51(12) yes . .
P(1) Mo(1) C(24) 130.49(13) yes . .
P(1) Mo(1) C(25) 138.38(12) yes . .
P(2) Mo(1) C(21) 112.08(12) yes . .
P(2) Mo(1) C(22) 143.05(11) yes . .
P(2) Mo(1) C(23) 128.75(12) yes . .
P(2) Mo(1) C(24) 92.53(12) yes . .
P(2) Mo(1) C(25) 85.11(12) yes . .
C(21) Mo(1) C(22) 34.10(17) yes . .
C(21) Mo(1) C(23) 58.60(17) yes . .
C(21) Mo(1) C(24) 59.23(16) yes . .
C(21) Mo(1) C(25) 34.47(16) yes . .
C(22) Mo(1) C(23) 35.52(17) yes . .
C(22) Mo(1) C(24) 59.85(16) yes . .
C(22) Mo(1) C(25) 58.00(16) yes . .
C(23) Mo(1) C(24) 37.15(17) yes . .
C(23) Mo(1) C(25) 60.12(17) yes . .
C(24) Mo(1) C(25) 36.48(18) yes . .
Cl(1) Zr(1) Cl(2) 80.07(4) yes . .
Cl(1) Zr(1) C(1) 90.87(9) yes . .
Cl(1) Zr(1) C(2) 119.37(9) yes . .
Cl(1) Zr(1) C(3) 144.59(11) yes . .
Cl(1) Zr(1) C(4) 124.55(11) yes . .
Cl(1) Zr(1) C(5) 94.29(9) yes . .
Cl(1) Zr(1) C(10) 87.63(9) yes . .
Cl(1) Zr(1) C(11) 119.34(11) yes . .
Cl(1) Zr(1) C(12) 138.33(13) yes . .
Cl(1) Zr(1) C(13) 113.82(12) yes . .
Cl(1) Zr(1) C(14) 85.27(9) yes . .
Cl(2) Zr(1) C(1) 112.63(12) yes . .
Cl(2) Zr(1) C(2) 130.65(11) yes . .
Cl(2) Zr(1) C(3) 105.48(12) yes . .
Cl(2) Zr(1) C(4) 76.88(12) yes . .
Cl(2) Zr(1) C(5) 80.86(12) yes . .
Cl(2) Zr(1) C(10) 118.86(13) yes . .
Cl(2) Zr(1) C(11) 130.84(17) yes . .
Cl(2) Zr(1) C(12) 102.31(19) yes . .
Cl(2) Zr(1) C(13) 77.14(16) yes . .
Cl(2) Zr(1) C(14) 86.17(13) yes . .
C(1) Zr(1) C(2) 33.51(14) yes . .
C(1) Zr(1) C(3) 54.35(13) yes . .
C(1) Zr(1) C(4) 54.82(14) yes . .
C(1) Zr(1) C(5) 33.04(16) yes . .
C(1) Zr(1) C(10) 127.32(17) yes . .
C(1) Zr(1) C(11) 111.7(2) yes . .
C(1) Zr(1) C(12) 124.27(19) yes . .
C(1) Zr(1) C(13) 155.02(15) yes . .
C(1) Zr(1) C(14) 159.90(16) yes . .
C(2) Zr(1) C(3) 32.51(14) yes . .
C(2) Zr(1) C(4) 54.39(16) yes . .
C(2) Zr(1) C(5) 54.63(16) yes . .
C(2) Zr(1) C(10) 107.53(16) yes . .
C(2) Zr(1) C(11) 81.61(19) yes . .
C(2) Zr(1) C(12) 90.91(19) yes . .
C(2) Zr(1) C(13) 122.61(16) yes . .
C(2) Zr(1) C(14) 136.26(16) yes . .
C(3) Zr(1) C(4) 32.18(16) yes . .
C(3) Zr(1) C(5) 53.60(14) yes . .
C(3) Zr(1) C(10) 117.36(15) yes . .
C(3) Zr(1) C(11) 83.98(16) yes . .
C(3) Zr(1) C(12) 75.68(17) yes . .
C(3) Zr(1) C(13) 101.41(15) yes . .
C(3) Zr(1) C(14) 129.52(14) yes . .
C(4) Zr(1) C(5) 32.76(13) yes . .
C(4) Zr(1) C(10) 147.29(14) yes . .
C(4) Zr(1) C(11) 113.90(15) yes . .
C(4) Zr(1) C(12) 95.86(16) yes . .
C(4) Zr(1) C(13) 109.03(15) yes . .
C(4) Zr(1) C(14) 141.27(13) yes . .
C(5) Zr(1) C(10) 160.16(17) yes . .
C(5) Zr(1) C(11) 134.81(17) yes . .
C(5) Zr(1) C(12) 127.32(15) yes . .
C(5) Zr(1) C(13) 140.14(15) yes . .
C(5) Zr(1) C(14) 166.89(17) yes . .
C(10) Zr(1) C(11) 33.63(14) yes . .
C(10) Zr(1) C(12) 54.34(15) yes . .
C(10) Zr(1) C(13) 54.15(17) yes . .
C(10) Zr(1) C(14) 32.94(17) yes . .
C(11) Zr(1) C(12) 32.3(3) yes . .
C(11) Zr(1) C(13) 53.8(3) yes . .
C(11) Zr(1) C(14) 54.69(19) yes . .
C(12) Zr(1) C(13) 32.1(3) yes . .
C(12) Zr(1) C(14) 53.84(16) yes . .
C(13) Zr(1) C(14) 32.47(14) yes . .
Mo(1) Cl(1) Zr(1) 86.43(4) yes . .
Mo(1) P(1) C(1) 108.72(15) yes . .
Mo(1) P(1) C(6) 119.48(14) yes . .
Mo(1) P(1) C(8) 117.29(15) yes . .
C(1) P(1) C(6) 100.2(2) yes . .
C(1) P(1) C(8) 106.40(19) yes . .
C(6) P(1) C(8) 102.8(3) yes . .
Mo(1) P(2) C(10) 110.08(17) yes . .
Mo(1) P(2) C(15) 118.49(17) yes . .
Mo(1) P(2) C(17) 115.8(3) yes . .
Mo(1) P(2) C(19) 121.6(4) yes . .
C(10) P(2) C(15) 99.9(3) yes . .
C(10) P(2) C(17) 114.1(3) yes . .
C(10) P(2) C(19) 85.5(4) yes . .
C(15) P(2) C(17) 97.1(3) yes . .
C(15) P(2) C(19) 112.9(4) yes . .
C(17) P(2) C(19) 30.2(4) yes . .
Zr(1) C(1) P(1) 107.54(18) yes . .
Zr(1) C(1) C(2) 73.0(3) yes . .
Zr(1) C(1) C(5) 72.6(3) yes . .
P(1) C(1) C(2) 125.7(4) yes . .
P(1) C(1) C(5) 126.5(4) yes . .
C(2) C(1) C(5) 106.0(4) yes . .
Zr(1) C(2) C(1) 73.5(3) yes . .
Zr(1) C(2) C(3) 76.4(3) yes . .
C(1) C(2) C(3) 108.2(5) yes . .
Zr(1) C(3) C(2) 71.0(3) yes . .
Zr(1) C(3) C(4) 72.9(3) yes . .
C(2) C(3) C(4) 108.7(4) yes . .
Zr(1) C(4) C(3) 74.9(3) yes . .
Zr(1) C(4) C(5) 71.3(3) yes . .
C(3) C(4) C(5) 107.0(4) yes . .
Zr(1) C(5) C(1) 74.4(3) yes . .
Zr(1) C(5) C(4) 76.0(3) yes . .
C(1) C(5) C(4) 110.1(4) yes . .
P(1) C(6) C(7) 116.2(3) yes . .
P(1) C(8) C(9) 118.1(3) yes . .
Zr(1) C(10) P(2) 108.4(2) yes . .
Zr(1) C(10) C(11) 72.8(3) yes . .
Zr(1) C(10) C(14) 74.1(3) yes . .
P(2) C(10) C(11) 126.5(5) yes . .
P(2) C(10) C(14) 125.4(3) yes . .
C(11) C(10) C(14) 106.7(5) yes . .
Zr(1) C(11) C(10) 73.5(3) yes . .
Zr(1) C(11) C(12) 75.9(4) yes . .
C(10) C(11) C(12) 108.2(6) yes . .
Zr(1) C(12) C(11) 71.8(4) yes . .
Zr(1) C(12) C(13) 74.7(4) yes . .
C(11) C(12) C(13) 108.8(5) yes . .
Zr(1) C(13) C(12) 73.2(4) yes . .
Zr(1) C(13) C(14) 72.0(3) yes . .
C(12) C(13) C(14) 107.9(6) yes . .
Zr(1) C(14) C(10) 73.0(3) yes . .
Zr(1) C(14) C(13) 75.6(3) yes . .
C(10) C(14) C(13) 108.4(5) yes . .
P(2) C(15) C(16) 117.0(4) yes . .
P(2) C(17) C(18) 112.1(5) yes . .
P(2) C(17) C(19) 85.8(9) yes . .
P(2) C(17) C(20) 156.2(9) yes . .
C(18) C(17) C(19) 36.4(8) yes . .
C(18) C(17) C(20) 74.5(7) yes . .
C(19) C(17) C(20) 88.2(10) yes . .
C(17) C(18) C(19) 39.9(7) yes . .
C(17) C(18) C(20) 39.6(6) yes . .
C(19) C(18) C(20) 62.7(9) yes . .
P(2) C(19) C(17) 63.9(8) yes . .
P(2) C(19) C(18) 138.0(12) yes . .
P(2) C(19) C(20) 108.3(7) yes . .
C(17) C(19) C(18) 103.6(12) yes . .
C(17) C(19) C(20) 47.6(8) yes . .
C(18) C(19) C(20) 82.3(11) yes . .
C(17) C(20) C(18) 65.8(7) yes . .
C(17) C(20) C(19) 44.2(7) yes . .
C(18) C(20) C(19) 35.0(7) yes . .
Mo(1) C(21) C(22) 72.2(3) yes . .
Mo(1) C(21) C(25) 70.1(3) yes . .
Mo(1) C(21) C(26) 127.7(3) yes . .
C(22) C(21) C(25) 109.1(5) yes . .
C(22) C(21) C(26) 125.4(5) yes . .
C(25) C(21) C(26) 125.3(5) yes . .
Mo(1) C(22) C(21) 73.7(3) yes . .
Mo(1) C(22) C(23) 67.7(3) yes . .
Mo(1) C(22) C(27) 136.1(3) yes . .
C(21) C(22) C(23) 108.1(4) yes . .
C(21) C(22) C(27) 124.0(5) yes . .
C(23) C(22) C(27) 126.2(5) yes . .
Mo(1) C(23) C(22) 76.8(3) yes . .
Mo(1) C(23) C(24) 70.5(3) yes . .
Mo(1) C(23) C(28) 130.3(3) yes . .
C(22) C(23) C(24) 107.9(5) yes . .
C(22) C(23) C(28) 127.0(5) yes . .
C(24) C(23) C(28) 123.3(5) yes . .
Mo(1) C(24) C(23) 72.3(3) yes . .
Mo(1) C(24) C(25) 75.2(3) yes . .
Mo(1) C(24) C(29) 130.4(3) yes . .
C(23) C(24) C(25) 106.8(4) yes . .
C(23) C(24) C(29) 122.3(5) yes . .
C(25) C(24) C(29) 128.8(5) yes . .
Mo(1) C(25) C(21) 75.5(3) yes . .
Mo(1) C(25) C(24) 68.3(3) yes . .
Mo(1) C(25) C(30) 136.9(3) yes . .
C(21) C(25) C(24) 108.1(5) yes . .
C(21) C(25) C(30) 123.4(5) yes . .
C(24) C(25) C(30) 125.6(4) yes . .
C(32) C(31) C(33) 124.6(9) yes . 2_755
C(31) C(32) C(33) 114.9(8) yes . .
C(31) C(33) C(32) 120.5(8) yes 2_755 .
Zr(1) C(2) H(1) 114.292 no . .
C(1) C(2) H(1) 125.065 no . .
C(3) C(2) H(1) 126.740 no . .
Zr(1) C(3) H(2) 121.648 no . .
C(2) C(3) H(2) 126.102 no . .
C(4) C(3) H(2) 125.222 no . .
Zr(1) C(4) H(3) 121.426 no . .
C(3) C(4) H(3) 127.531 no . .
C(5) C(4) H(3) 125.446 no . .
Zr(1) C(5) H(4) 115.103 no . .
C(1) C(5) H(4) 123.888 no . .
C(4) C(5) H(4) 126.036 no . .
P(1) C(6) H(5) 114.980 no . .
P(1) C(6) H(6) 115.283 no . .
C(7) C(6) H(5) 100.858 no . .
C(7) C(6) H(6) 100.424 no . .
H(5) C(6) H(6) 107.130 no . .
C(6) C(7) H(7) 108.870 no . .
C(6) C(7) H(8) 110.305 no . .
C(6) C(7) H(9) 109.323 no . .
H(7) C(7) H(8) 109.436 no . .
H(7) C(7) H(9) 109.441 no . .
H(8) C(7) H(9) 109.448 no . .
P(1) C(8) H(10) 116.616 no . .
P(1) C(8) H(11) 117.901 no . .
C(9) C(8) H(10) 96.978 no . .
C(9) C(8) H(11) 98.247 no . .
H(10) C(8) H(11) 105.586 no . .
C(8) C(9) H(12) 109.730 no . .
C(8) C(9) H(13) 110.389 no . .
C(8) C(9) H(14) 108.370 no . .
H(12) C(9) H(13) 109.444 no . .
H(12) C(9) H(14) 109.443 no . .
H(13) C(9) H(14) 109.445 no . .
Zr(1) C(11) H(15) 117.954 no . .
C(10) C(11) H(15) 124.450 no . .
C(12) C(11) H(15) 127.335 no . .
Zr(1) C(12) H(16) 121.063 no . .
C(11) C(12) H(16) 125.534 no . .
C(13) C(12) H(16) 125.673 no . .
Zr(1) C(13) H(17) 119.442 no . .
C(12) C(13) H(17) 124.106 no . .
C(14) C(13) H(17) 127.969 no . .
Zr(1) C(14) H(18) 118.053 no . .
C(10) C(14) H(18) 127.322 no . .
C(13) C(14) H(18) 124.289 no . .
P(2) C(15) H(19) 115.781 no . .
P(2) C(15) H(20) 117.760 no . .
C(16) C(15) H(19) 98.534 no . .
C(16) C(15) H(20) 98.310 no . .
H(19) C(15) H(20) 106.541 no . .
C(15) C(16) H(21) 106.681 no . .
C(15) C(16) H(22) 114.827 no . .
C(15) C(16) H(23) 106.897 no . .
H(21) C(16) H(22) 109.428 no . .
H(21) C(16) H(23) 109.433 no . .
H(22) C(16) H(23) 109.437 no . .
C(21) C(26) H(24) 110.283 no . .
C(21) C(26) H(25) 108.779 no . .
C(21) C(26) H(26) 109.433 no . .
H(24) C(26) H(25) 109.441 no . .
H(24) C(26) H(26) 109.441 no . .
H(25) C(26) H(26) 109.448 no . .
C(22) C(27) H(27) 110.705 no . .
C(22) C(27) H(28) 108.344 no . .
C(22) C(27) H(29) 109.443 no . .
H(27) C(27) H(28) 109.442 no . .
H(27) C(27) H(29) 109.443 no . .
H(28) C(27) H(29) 109.441 no . .
C(23) C(28) H(30) 111.667 no . .
C(23) C(28) H(31) 107.866 no . .
C(23) C(28) H(32) 108.948 no . .
H(30) C(28) H(31) 109.436 no . .
H(30) C(28) H(32) 109.445 no . .
H(31) C(28) H(32) 109.442 no . .
C(24) C(29) H(33) 111.201 no . .
C(24) C(29) H(34) 109.330 no . .
C(24) C(29) H(35) 107.948 no . .
H(33) C(29) H(34) 109.450 no . .
H(33) C(29) H(35) 109.439 no . .
H(34) C(29) H(35) 109.442 no . .
C(25) C(30) H(36) 107.503 no . .
C(25) C(30) H(37) 110.322 no . .
C(25) C(30) H(38) 110.654 no . .
H(36) C(30) H(37) 109.446 no . .
H(36) C(30) H(38) 109.441 no . .
H(37) C(30) H(38) 109.443 no . .
C(32) C(31) H(39) 118.149 no . .
C(33) C(31) H(39) 117.185 no 2_755 .
C(31) C(32) H(40) 125.520 no . .
C(33) C(32) H(40) 119.552 no . .
C(31) C(33) H(41) 122.251 no 2_755 .
C(32) C(33) H(41) 117.197 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
Mo(1) Cl(1) 2.4925(13) yes .
Mo(1) Cl(3) 2.5131(12) yes .
Mo(1) P(1) 2.4943(13) yes .
Mo(1) P(2) 2.4932(15) yes .
Mo(1) C(21) 2.416(4) yes .
Mo(1) C(22) 2.397(4) yes .
Mo(1) C(23) 2.278(4) yes .
Mo(1) C(24) 2.254(4) yes .
Mo(1) C(25) 2.346(4) yes .
Zr(1) Cl(1) 2.5503(9) yes .
Zr(1) Cl(2) 2.5584(14) yes .
Zr(1) C(1) 2.480(5) yes .
Zr(1) C(2) 2.473(5) yes .
Zr(1) C(3) 2.542(4) yes .
Zr(1) C(4) 2.517(5) yes .
Zr(1) C(5) 2.457(5) yes .
Zr(1) C(10) 2.464(5) yes .
Zr(1) C(11) 2.455(6) yes .
Zr(1) C(12) 2.506(6) yes .
Zr(1) C(13) 2.525(6) yes .
Zr(1) C(14) 2.479(5) yes .
P(1) C(1) 1.797(4) yes .
P(1) C(6) 1.828(5) yes .
P(1) C(8) 1.837(5) yes .
P(2) C(10) 1.800(5) yes .
P(2) C(15) 1.826(5) yes .
P(2) C(17) 1.836(8) yes .
P(2) C(19) 2.039(13) yes .
C(1) C(2) 1.428(6) yes .
C(1) C(5) 1.404(7) yes .
C(2) C(3) 1.405(6) yes .
C(3) C(4) 1.402(8) yes .
C(4) C(5) 1.404(6) yes .
C(6) C(7) 1.542(6) yes .
C(8) C(9) 1.526(6) yes .
C(10) C(11) 1.423(6) yes .
C(10) C(14) 1.401(8) yes .
C(11) C(12) 1.379(10) yes .
C(12) C(13) 1.392(10) yes .
C(13) C(14) 1.399(6) yes .
C(15) C(16) 1.557(8) yes .
C(17) C(18) 1.559(10) yes .
C(17) C(19) 1.029(11) yes .
C(17) C(20) 1.090(15) yes .
C(18) C(19) 0.952(16) yes .
C(18) C(20) 1.646(13) yes .
C(19) C(20) 1.476(16) yes .
C(21) C(22) 1.411(7) yes .
C(21) C(25) 1.412(7) yes .
C(21) C(26) 1.490(8) yes .
C(22) C(23) 1.430(7) yes .
C(22) C(27) 1.494(7) yes .
C(23) C(24) 1.444(7) yes .
C(23) C(28) 1.505(7) yes .
C(24) C(25) 1.443(8) yes .
C(24) C(29) 1.505(7) yes .
C(25) C(30) 1.509(7) yes .
C(31) C(32) 1.360(12) yes .
C(31) C(33) 1.369(13) yes 2_755
C(32) C(33) 1.353(12) yes .
C(2) H(1) 0.930 no .
C(3) H(2) 0.930 no .
C(4) H(3) 0.930 no .
C(5) H(4) 0.930 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) 0.930 no .
C(12) H(16) 0.930 no .
C(13) H(17) 0.930 no .
C(14) H(18) 0.930 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(26) H(24) 0.960 no .
C(26) H(25) 0.960 no .
C(26) H(26) 0.960 no .
C(27) H(27) 0.960 no .
C(27) H(28) 0.960 no .
C(27) H(29) 0.960 no .
C(28) H(30) 0.960 no .
C(28) H(31) 0.960 no .
C(28) H(32) 0.960 no .
C(29) H(33) 0.960 no .
C(29) H(34) 0.960 no .
C(29) H(35) 0.960 no .
C(30) H(36) 0.960 no .
C(30) H(37) 0.960 no .
C(30) H(38) 0.960 no .
C(31) H(39) 0.930 no .
C(32) H(40) 0.930 no .
C(33) H(41) 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(28) 3.346(4) no .
Cl(1) C(29) 3.482(4) no .
Cl(3) C(2) 3.409(5) no .
Cl(3) C(8) 3.320(5) no .
Cl(3) C(17) 3.361(8) no .
Cl(3) C(19) 3.232(13) no .
Cl(3) C(20) 3.478(13) no .
Cl(3) C(26) 3.309(4) no .
P(1) C(27) 3.436(4) no .
P(2) C(30) 3.585(4) no .
C(1) C(7) 3.255(7) no .
C(1) C(9) 3.094(8) no .
C(2) C(8) 3.570(6) no .
C(2) C(9) 3.394(7) no .
C(5) C(6) 3.087(5) no .
C(5) C(7) 3.309(6) no .
C(6) C(28) 3.546(6) no .
C(7) C(8) 3.227(7) no .
C(7) C(9) 3.592(7) no .
C(8) C(27) 3.312(5) no .
C(10) C(16) 3.235(7) no .
C(10) C(18) 3.167(11) no .
C(11) C(18) 3.396(11) no .
C(11) C(19) 2.928(13) no .
C(14) C(15) 3.109(6) no .
C(14) C(16) 3.363(7) no .
C(15) C(29) 3.320(7) no .
C(16) C(17) 3.203(10) no .
C(16) C(18) 3.478(11) no .
C(16) C(19) 3.479(14) no .
C(17) C(30) 3.284(7) no .
C(20) C(30) 3.516(11) no .
C(26) C(27) 3.119(8) no .
C(26) C(30) 3.121(7) no .
C(27) C(28) 3.219(7) no .
C(28) C(29) 3.074(7) no .
C(29) C(30) 3.266(8) no .
C(31) C(31) 2.620(13) no 2_755
C(32) C(32) 2.827(11) no 2_755
C(33) C(33) 2.709(12) no 2_755
Cl(1) C(7) 3.573(5) no 2_666
C(7) Cl(1) 3.573(5) no 2_666
C(18) C(18) 3.160(13) no 2_675
C(20) C(31) 3.148(16) no 1_565
C(20) C(33) 3.476(16) no 2_765
C(31) C(20) 3.148(16) no 1_545
C(33) C(20) 3.476(16) no 2_765
Mo(1) H(26) 3.5136 no .
Mo(1) H(32) 3.5202 no .
Mo(1) H(35) 3.4245 no .
Cl(1) H(4) 3.5985 no .
Cl(1) H(6) 3.2401 no .
Cl(1) H(18) 3.2971 no .
Cl(1) H(19) 3.3876 no .
Cl(1) H(31) 3.0719 no .
Cl(1) H(32) 3.2056 no .
Cl(1) H(35) 2.8128 no .
Cl(2) H(3) 3.0304 no .
Cl(2) H(4) 3.1603 no .
Cl(2) H(17) 2.9858 no .
Cl(2) H(18) 3.4649 no .
Cl(3) H(1) 2.7556 no .
Cl(3) H(10) 2.8067 no .
Cl(3) H(12) 3.6000 no .
Cl(3) H(15) 3.2957 no .
Cl(3) H(25) 3.5088 no .
Cl(3) H(26) 2.7156 no .
P(1) H(1) 3.0937 no .
P(1) H(4) 3.0715 no .
P(1) H(7) 3.0154 no .
P(1) H(9) 3.0218 no .
P(1) H(12) 3.0461 no .
P(1) H(14) 3.0472 no .
P(1) H(27) 2.9034 no .
P(1) H(32) 3.4676 no .
P(2) H(15) 3.1043 no .
P(2) H(18) 3.1018 no .
P(2) H(21) 2.9926 no .
P(2) H(23) 3.0126 no .
P(2) H(36) 3.3687 no .
P(2) H(37) 3.4642 no .
C(1) H(2) 3.1928 no .
C(1) H(3) 3.1919 no .
C(1) H(6) 2.9594 no .
C(1) H(7) 3.5866 no .
C(1) H(9) 2.8439 no .
C(1) H(10) 3.5058 no .
C(1) H(12) 2.8481 no .
C(1) H(14) 3.0087 no .
C(2) H(3) 3.1827 no .
C(2) H(4) 3.1560 no .
C(2) H(12) 2.7488 no .
C(2) H(14) 3.5037 no .
C(2) H(15) 3.0459 no .
C(3) H(4) 3.1542 no .
C(3) H(15) 3.3797 no .
C(3) H(16) 2.9253 no .
C(4) H(1) 3.1780 no .
C(5) H(1) 3.1568 no .
C(5) H(2) 3.1517 no .
C(5) H(6) 2.8639 no .
C(5) H(9) 2.6618 no .
C(6) H(4) 2.7408 no .
C(6) H(11) 2.8880 no .
C(6) H(14) 3.5209 no .
C(6) H(27) 2.7882 no .
C(6) H(32) 2.6929 no .
C(7) H(4) 2.9071 no .
C(7) H(11) 3.0276 no .
C(7) H(14) 2.9841 no .
C(8) H(1) 3.4876 no .
C(8) H(5) 3.1308 no .
C(8) H(7) 2.7956 no .
C(8) H(9) 3.4798 no .
C(8) H(27) 2.8000 no .
C(8) H(28) 3.1659 no .
C(9) H(1) 3.3039 no .
C(9) H(7) 3.0514 no .
C(9) H(9) 3.5289 no .
C(10) H(16) 3.1671 no .
C(10) H(17) 3.1751 no .
C(10) H(19) 2.9701 no .
C(10) H(21) 2.7706 no .
C(10) H(23) 3.5355 no .
C(11) H(1) 3.0628 no .
C(11) H(2) 3.3479 no .
C(11) H(17) 3.1407 no .
C(11) H(18) 3.1713 no .
C(12) H(2) 2.9166 no .
C(12) H(18) 3.1478 no .
C(13) H(15) 3.1542 no .
C(14) H(15) 3.1591 no .
C(14) H(16) 3.1538 no .
C(14) H(19) 2.8806 no .
C(14) H(21) 2.6926 no .
C(15) H(18) 2.8409 no .
C(15) H(34) 2.7978 no .
C(15) H(35) 3.1907 no .
C(15) H(37) 3.1555 no .
C(16) H(18) 3.0901 no .
C(17) H(15) 3.5492 no .
C(17) H(20) 2.9441 no .
C(17) H(21) 3.5030 no .
C(17) H(23) 2.7442 no .
C(17) H(36) 2.6418 no .
C(17) H(37) 3.2725 no .
C(18) H(15) 3.1520 no .
C(18) H(21) 3.4793 no .
C(18) H(23) 2.8690 no .
C(19) H(15) 2.6759 no .
C(19) H(21) 3.5041 no .
C(19) H(23) 3.0570 no .
C(19) H(36) 3.5883 no .
C(20) H(23) 3.4746 no .
C(20) H(36) 2.6639 no .
C(21) H(27) 3.2525 no .
C(21) H(28) 2.6151 no .
C(21) H(29) 3.0713 no .
C(21) H(36) 2.8039 no .
C(21) H(37) 3.3451 no .
C(21) H(38) 2.8181 no .
C(22) H(5) 3.4039 no .
C(22) H(10) 3.5706 no .
C(22) H(24) 3.1493 no .
C(22) H(25) 2.6312 no .
C(22) H(26) 3.2073 no .
C(22) H(30) 2.9116 no .
C(22) H(31) 3.3621 no .
C(22) H(32) 2.8808 no .
C(23) H(5) 3.4272 no .
C(23) H(27) 2.8792 no .
C(23) H(28) 3.3530 no .
C(23) H(29) 2.8609 no .
C(23) H(33) 2.8265 no .
C(23) H(34) 3.3539 no .
C(23) H(35) 2.8153 no .
C(24) H(20) 3.3873 no .
C(24) H(30) 3.1249 no .
C(24) H(31) 2.6267 no .
C(24) H(32) 3.2653 no .
C(24) H(36) 3.2847 no .
C(24) H(37) 2.7193 no .
C(24) H(38) 3.1364 no .
C(25) H(20) 3.4795 no .
C(25) H(24) 2.8489 no .
C(25) H(25) 3.3301 no .
C(25) H(26) 2.8223 no .
C(25) H(33) 3.1869 no .
C(25) H(34) 2.7509 no .
C(25) H(35) 3.2988 no .
C(26) H(28) 2.6729 no .
C(26) H(36) 3.0058 no .
C(26) H(38) 3.1371 no .
C(27) H(5) 3.0130 no .
C(27) H(10) 3.3084 no .
C(27) H(11) 3.0370 no .
C(27) H(25) 2.6911 no .
C(27) H(30) 3.2133 no .
C(27) H(32) 3.2039 no .
C(28) H(5) 3.0745 no .
C(28) H(6) 3.4599 no .
C(28) H(27) 3.2020 no .
C(28) H(29) 3.1938 no .
C(28) H(33) 3.0066 no .
C(28) H(35) 3.0259 no .
C(29) H(19) 3.1496 no .
C(29) H(20) 2.9446 no .
C(29) H(30) 3.5423 no .
C(29) H(31) 2.6217 no .
C(29) H(37) 2.8993 no .
C(30) H(20) 3.1610 no .
C(30) H(24) 3.0302 no .
C(30) H(26) 3.1501 no .
C(30) H(34) 2.9015 no .
C(31) H(39) 3.5492 no 2_755
C(31) H(40) 3.1987 no 2_755
C(31) H(41) 3.1254 no .
C(32) H(39) 3.1810 no 2_755
C(32) H(41) 3.2533 no 2_755
C(33) H(39) 3.1300 no .
C(33) H(40) 3.2735 no 2_755
H(1) H(2) 2.5107 no .
H(1) H(10) 3.5648 no .
H(1) H(12) 2.5280 no .
H(1) H(15) 2.6356 no .
H(2) H(3) 2.5052 no .
H(2) H(15) 3.3272 no .
H(2) H(16) 2.4829 no .
H(3) H(4) 2.4910 no .
H(4) H(6) 2.2926 no .
H(4) H(8) 3.3610 no .
H(4) H(9) 2.3137 no .
H(5) H(7) 2.2698 no .
H(5) H(8) 2.2284 no .
H(5) H(9) 2.7605 no .
H(5) H(11) 2.9088 no .
H(5) H(27) 2.1533 no .
H(5) H(29) 3.4260 no .
H(5) H(30) 3.4539 no .
H(5) H(32) 2.2276 no .
H(6) H(7) 2.7525 no .
H(6) H(8) 2.2234 no .
H(6) H(9) 2.2698 no .
H(6) H(27) 3.5474 no .
H(6) H(32) 2.5622 no .
H(7) H(11) 2.3919 no .
H(7) H(13) 3.5463 no .
H(7) H(14) 2.4573 no .
H(7) H(27) 3.4553 no .
H(9) H(11) 3.4817 no .
H(9) H(14) 2.8015 no .
H(10) H(12) 2.2214 no .
H(10) H(13) 2.1515 no .
H(10) H(14) 2.7003 no .
H(10) H(25) 3.1372 no .
H(10) H(27) 3.0616 no .
H(10) H(28) 2.9284 no .
H(11) H(12) 2.7242 no .
H(11) H(13) 2.1666 no .
H(11) H(14) 2.2213 no .
H(11) H(27) 2.4148 no .
H(11) H(28) 2.8705 no .
H(15) H(16) 2.4835 no .
H(16) H(17) 2.4563 no .
H(17) H(18) 2.4956 no .
H(18) H(19) 2.3564 no .
H(18) H(21) 2.4956 no .
H(18) H(22) 3.5499 no .
H(19) H(21) 2.2345 no .
H(19) H(22) 2.2637 no .
H(19) H(23) 2.7278 no .
H(19) H(34) 2.7619 no .
H(19) H(35) 2.7679 no .
H(20) H(21) 2.7235 no .
H(20) H(22) 2.2611 no .
H(20) H(23) 2.2343 no .
H(20) H(34) 2.2110 no .
H(20) H(35) 3.0573 no .
H(20) H(36) 3.3527 no .
H(20) H(37) 2.4187 no .
H(24) H(28) 3.1948 no .
H(24) H(36) 2.9841 no .
H(24) H(38) 2.7601 no .
H(25) H(27) 3.3765 no .
H(25) H(28) 2.0123 no .
H(25) H(29) 3.2523 no .
H(26) H(28) 3.3939 no .
H(26) H(36) 2.7489 no .
H(26) H(38) 3.3300 no .
H(27) H(30) 3.2939 no .
H(27) H(32) 2.9007 no .
H(29) H(30) 2.9020 no .
H(29) H(32) 3.3007 no .
H(30) H(33) 3.2326 no .
H(31) H(33) 2.5207 no .
H(31) H(34) 3.5782 no .
H(31) H(35) 2.3783 no .
H(33) H(37) 3.4105 no .
H(34) H(37) 2.2936 no .
H(34) H(38) 3.4114 no .
H(39) H(40) 2.3401 no .
H(39) H(41) 2.2916 no 2_755
H(40) H(41) 2.2371 no .
Cl(1) H(6) 3.3104 no 2_666
Cl(1) H(8) 2.7655 no 2_666
Cl(2) H(5) 3.1431 no 2_666
Cl(2) H(10) 3.1178 no 1_455
Cl(2) H(11) 3.3353 no 1_455
Cl(2) H(25) 2.9456 no 1_455
Cl(2) H(28) 2.8615 no 1_455
Cl(2) H(30) 3.5250 no 2_666
Cl(2) H(32) 3.2730 no 2_666
Cl(3) H(2) 2.9447 no 2_665
Cl(3) H(15) 3.4308 no 2_665
Cl(3) H(16) 3.3210 no 2_665
C(2) H(15) 3.2151 no 2_665
C(4) H(22) 3.1524 no 1_545
C(4) H(23) 3.5873 no 1_545
C(5) H(22) 2.9372 no 1_545
C(5) H(23) 3.4940 no 1_545
C(5) H(30) 3.5714 no 2_666
C(5) H(31) 3.3605 no 2_666
C(5) H(32) 3.3698 no 2_666
C(7) H(20) 2.9327 no 1_545
C(7) H(22) 3.4922 no 1_545
C(7) H(28) 3.4639 no 2_766
C(7) H(29) 3.1658 no 2_766
C(7) H(31) 3.5451 no 2_666
C(7) H(34) 3.3534 no 1_545
C(7) H(37) 3.1798 no 1_545
C(8) H(29) 3.5067 no 2_766
C(9) H(39) 3.5090 no .
C(11) H(1) 3.3236 no 2_665
C(11) H(12) 3.1611 no 2_665
C(12) H(16) 3.4876 no 2_565
C(12) H(17) 3.2483 no 2_565
C(12) H(40) 3.4058 no 2_665
C(13) H(16) 3.1273 no 2_565
C(13) H(25) 3.4478 no 1_455
C(13) H(26) 3.5154 no 1_455
C(13) H(40) 3.1801 no 2_665
C(13) H(41) 3.5420 no 2_665
C(14) H(24) 3.5445 no 1_455
C(14) H(25) 3.3113 no 1_455
C(14) H(26) 3.5073 no 1_455
C(14) H(40) 3.3246 no 2_665
C(14) H(41) 3.4969 no 2_665
C(15) H(9) 3.1863 no 1_565
C(15) H(33) 3.4044 no 2_676
C(15) H(35) 3.4946 no 2_676
C(16) H(9) 2.9957 no 1_565
C(16) H(31) 3.4981 no 2_676
C(17) H(39) 3.4781 no 1_565
C(18) H(12) 3.0912 no 2_665
C(19) H(1) 3.5201 no 2_665
C(19) H(2) 3.4666 no 2_665
C(19) H(12) 3.4371 no 2_665
C(20) H(2) 3.2556 no 2_665
C(20) H(39) 2.5721 no 1_565
C(20) H(41) 3.2984 no 2_765
C(21) H(38) 3.2931 no 2_776
C(22) H(38) 3.0009 no 2_776
C(23) H(38) 3.0197 no 2_776
C(24) H(24) 3.5194 no 2_776
C(24) H(38) 3.3094 no 2_776
C(25) H(38) 3.4576 no 2_776
C(26) H(17) 3.4572 no 1_655
C(26) H(18) 2.9519 no 1_655
C(26) H(33) 3.1362 no 2_776
C(26) H(41) 3.4158 no 2_765
C(27) H(5) 3.4302 no 2_766
C(27) H(7) 3.1377 no 2_766
C(27) H(11) 3.3258 no 2_766
C(27) H(27) 3.1090 no 2_766
C(27) H(38) 3.3614 no 2_776
C(28) H(4) 2.8229 no 2_666
C(28) H(22) 3.3720 no 2_676
C(28) H(38) 3.4227 no 2_776
C(29) H(19) 3.0024 no 2_676
C(29) H(24) 2.9960 no 2_776
C(29) H(35) 3.2308 no 2_676
C(30) H(7) 3.3712 no 1_565
C(30) H(29) 3.3371 no 2_776
C(31) H(3) 3.2694 no 1_655
C(31) H(13) 3.4180 no .
C(32) H(3) 3.0148 no 1_655
C(32) H(13) 3.4597 no .
C(32) H(21) 3.0830 no 2_665
C(33) H(2) 3.3839 no 1_655
C(33) H(3) 3.5083 no 1_655
C(33) H(21) 3.1605 no 2_665
C(33) H(26) 3.5374 no 2_765
H(1) C(11) 3.3236 no 2_665
H(1) C(19) 3.5201 no 2_665
H(1) H(1) 3.3265 no 2_665
H(1) H(15) 2.4174 no 2_665
H(2) Cl(3) 2.9447 no 2_665
H(2) C(19) 3.4666 no 2_665
H(2) C(20) 3.2556 no 2_665
H(2) C(33) 3.3839 no 1_455
H(2) H(41) 3.1244 no 1_455
H(3) C(31) 3.2694 no 1_455
H(3) C(32) 3.0148 no 1_455
H(3) C(33) 3.5083 no 1_455
H(3) H(22) 3.1274 no 1_545
H(3) H(30) 3.2512 no 2_666
H(3) H(39) 3.4667 no 1_455
H(3) H(40) 3.0314 no 1_455
H(4) C(28) 2.8229 no 2_666
H(4) H(22) 2.7930 no 1_545
H(4) H(30) 2.9327 no 2_666
H(4) H(31) 2.5561 no 2_666
H(4) H(32) 2.5163 no 2_666
H(5) Cl(2) 3.1431 no 2_666
H(5) C(27) 3.4302 no 2_766
H(5) H(27) 3.5477 no 2_766
H(5) H(28) 3.0286 no 2_766
H(5) H(29) 3.1743 no 2_766
H(6) Cl(1) 3.3104 no 2_666
H(6) H(6) 2.8599 no 2_666
H(6) H(31) 3.4387 no 2_666
H(6) H(32) 3.2152 no 2_666
H(7) C(27) 3.1377 no 2_766
H(7) C(30) 3.3712 no 1_545
H(7) H(20) 2.9461 no 1_545
H(7) H(28) 3.0563 no 2_766
H(7) H(29) 2.3963 no 2_766
H(7) H(34) 3.2917 no 1_545
H(7) H(37) 2.5142 no 1_545
H(7) H(38) 3.5295 no 1_545
H(8) Cl(1) 2.7655 no 2_666
H(8) H(20) 2.9780 no 1_545
H(8) H(28) 3.2168 no 2_766
H(8) H(29) 3.2994 no 2_766
H(8) H(31) 3.3143 no 2_666
H(8) H(34) 2.8237 no 1_545
H(8) H(35) 3.3876 no 2_666
H(8) H(37) 3.2457 no 1_545
H(9) C(15) 3.1863 no 1_545
H(9) C(16) 2.9957 no 1_545
H(9) H(19) 3.5095 no 1_545
H(9) H(20) 2.4067 no 1_545
H(9) H(22) 2.5608 no 1_545
H(9) H(23) 2.9762 no 1_545
H(9) H(31) 3.0149 no 2_666
H(9) H(34) 3.4212 no 1_545
H(9) H(37) 3.3183 no 1_545
H(10) Cl(2) 3.1178 no 1_655
H(10) H(17) 3.5214 no 1_655
H(11) Cl(2) 3.3353 no 1_655
H(11) C(27) 3.3258 no 2_766
H(11) H(27) 3.2911 no 2_766
H(11) H(29) 2.5746 no 2_766
H(12) C(11) 3.1611 no 2_665
H(12) C(18) 3.0912 no 2_665
H(12) C(19) 3.4371 no 2_665
H(12) H(15) 2.7487 no 2_665
H(13) C(31) 3.4180 no .
H(13) C(32) 3.4597 no .
H(13) H(39) 2.7615 no .
H(13) H(40) 2.9372 no .
H(14) H(20) 3.5895 no 1_545
H(14) H(23) 3.2242 no 1_545
H(14) H(36) 3.5550 no 1_545
H(14) H(37) 3.3311 no 1_545
H(14) H(39) 3.4722 no .
H(15) Cl(3) 3.4308 no 2_665
H(15) C(2) 3.2151 no 2_665
H(15) H(1) 2.4174 no 2_665
H(15) H(12) 2.7487 no 2_665
H(16) Cl(3) 3.3210 no 2_665
H(16) C(12) 3.4876 no 2_565
H(16) C(13) 3.1273 no 2_565
H(16) H(16) 3.1831 no 2_565
H(16) H(17) 2.4241 no 2_565
H(17) C(12) 3.2483 no 2_565
H(17) C(26) 3.4572 no 1_455
H(17) H(10) 3.5214 no 1_455
H(17) H(16) 2.4241 no 2_565
H(17) H(25) 3.0371 no 1_455
H(17) H(26) 3.0235 no 1_455
H(17) H(40) 3.4545 no 2_665
H(17) H(41) 3.4179 no 2_665
H(18) C(26) 2.9519 no 1_455
H(18) H(24) 2.7016 no 1_455
H(18) H(25) 2.7016 no 1_455
H(18) H(26) 2.9535 no 1_455
H(18) H(33) 3.2109 no 2_676
H(18) H(41) 3.2965 no 2_665
H(19) C(29) 3.0024 no 2_676
H(19) H(9) 3.5095 no 1_565
H(19) H(31) 3.4886 no 2_676
H(19) H(33) 2.4954 no 2_676
H(19) H(34) 3.3298 no 2_676
H(19) H(35) 2.7581 no 2_676
H(20) C(7) 2.9327 no 1_565
H(20) H(7) 2.9461 no 1_565
H(20) H(8) 2.9780 no 1_565
H(20) H(9) 2.4067 no 1_565
H(20) H(14) 3.5895 no 1_565
H(20) H(35) 3.3230 no 2_676
H(21) C(32) 3.0830 no 2_665
H(21) C(33) 3.1605 no 2_665
H(21) H(40) 3.0306 no 2_665
H(21) H(41) 3.0995 no 2_665
H(22) C(4) 3.1524 no 1_565
H(22) C(5) 2.9372 no 1_565
H(22) C(7) 3.4922 no 1_565
H(22) C(28) 3.3720 no 2_676
H(22) H(3) 3.1274 no 1_565
H(22) H(4) 2.7930 no 1_565
H(22) H(9) 2.5608 no 1_565
H(22) H(30) 3.2778 no 2_676
H(22) H(31) 2.6367 no 2_676
H(22) H(33) 3.2993 no 2_676
H(23) C(4) 3.5873 no 1_565
H(23) C(5) 3.4940 no 1_565
H(23) H(9) 2.9762 no 1_565
H(23) H(14) 3.2242 no 1_565
H(24) C(14) 3.5445 no 1_655
H(24) C(24) 3.5194 no 2_776
H(24) C(29) 2.9960 no 2_776
H(24) H(18) 2.7016 no 1_655
H(24) H(33) 2.2149 no 2_776
H(24) H(34) 3.1623 no 2_776
H(24) H(41) 3.3956 no 2_765
H(25) Cl(2) 2.9456 no 1_655
H(25) C(13) 3.4478 no 1_655
H(25) C(14) 3.3113 no 1_655
H(25) H(17) 3.0371 no 1_655
H(25) H(18) 2.7016 no 1_655
H(25) H(33) 3.3942 no 2_776
H(26) C(13) 3.5154 no 1_655
H(26) C(14) 3.5073 no 1_655
H(26) C(33) 3.5374 no 2_765
H(26) H(17) 3.0235 no 1_655
H(26) H(18) 2.9535 no 1_655
H(26) H(41) 2.6225 no 2_765
H(27) C(27) 3.1090 no 2_766
H(27) H(5) 3.5477 no 2_766
H(27) H(11) 3.2911 no 2_766
H(27) H(27) 2.6393 no 2_766
H(27) H(28) 3.1685 no 2_766
H(27) H(29) 3.0166 no 2_766
H(28) Cl(2) 2.8615 no 1_655
H(28) C(7) 3.4639 no 2_766
H(28) H(5) 3.0286 no 2_766
H(28) H(7) 3.0563 no 2_766
H(28) H(8) 3.2168 no 2_766
H(28) H(27) 3.1685 no 2_766
H(29) C(7) 3.1658 no 2_766
H(29) C(8) 3.5067 no 2_766
H(29) C(30) 3.3371 no 2_776
H(29) H(5) 3.1743 no 2_766
H(29) H(7) 2.3963 no 2_766
H(29) H(8) 3.2994 no 2_766
H(29) H(11) 2.5746 no 2_766
H(29) H(27) 3.0166 no 2_766
H(29) H(37) 2.9912 no 2_776
H(29) H(38) 2.8129 no 2_776
H(30) Cl(2) 3.5250 no 2_666
H(30) C(5) 3.5714 no 2_666
H(30) H(3) 3.2512 no 2_666
H(30) H(4) 2.9327 no 2_666
H(30) H(22) 3.2778 no 2_676
H(30) H(38) 2.9236 no 2_776
H(31) C(5) 3.3605 no 2_666
H(31) C(7) 3.5451 no 2_666
H(31) C(16) 3.4981 no 2_676
H(31) H(4) 2.5561 no 2_666
H(31) H(6) 3.4387 no 2_666
H(31) H(8) 3.3143 no 2_666
H(31) H(9) 3.0149 no 2_666
H(31) H(19) 3.4886 no 2_676
H(31) H(22) 2.6367 no 2_676
H(32) Cl(2) 3.2730 no 2_666
H(32) C(5) 3.3698 no 2_666
H(32) H(4) 2.5163 no 2_666
H(32) H(6) 3.2152 no 2_666
H(33) C(15) 3.4044 no 2_676
H(33) C(26) 3.1362 no 2_776
H(33) H(18) 3.2109 no 2_676
H(33) H(19) 2.4954 no 2_676
H(33) H(22) 3.2993 no 2_676
H(33) H(24) 2.2149 no 2_776
H(33) H(25) 3.3942 no 2_776
H(33) H(35) 3.4954 no 2_676
H(33) H(38) 3.5042 no 2_776
H(34) C(7) 3.3534 no 1_565
H(34) H(7) 3.2917 no 1_565
H(34) H(8) 2.8237 no 1_565
H(34) H(9) 3.4212 no 1_565
H(34) H(19) 3.3298 no 2_676
H(34) H(24) 3.1623 no 2_776
H(34) H(35) 2.9469 no 2_676
H(35) C(15) 3.4946 no 2_676
H(35) C(29) 3.2308 no 2_676
H(35) H(8) 3.3876 no 2_666
H(35) H(19) 2.7581 no 2_676
H(35) H(20) 3.3230 no 2_676
H(35) H(33) 3.4954 no 2_676
H(35) H(34) 2.9469 no 2_676
H(35) H(35) 2.7736 no 2_676
H(36) H(14) 3.5550 no 1_565
H(36) H(39) 2.9427 no 1_565
H(36) H(41) 3.4427 no 2_765
H(37) C(7) 3.1798 no 1_565
H(37) H(7) 2.5142 no 1_565
H(37) H(8) 3.2457 no 1_565
H(37) H(9) 3.3183 no 1_565
H(37) H(14) 3.3311 no 1_565
H(37) H(29) 2.9912 no 2_776
H(38) C(21) 3.2931 no 2_776
H(38) C(22) 3.0009 no 2_776
H(38) C(23) 3.0197 no 2_776
H(38) C(24) 3.3094 no 2_776
H(38) C(25) 3.4576 no 2_776
H(38) C(27) 3.3614 no 2_776
H(38) C(28) 3.4227 no 2_776
H(38) H(7) 3.5295 no 1_565
H(38) H(29) 2.8129 no 2_776
H(38) H(30) 2.9236 no 2_776
H(38) H(33) 3.5042 no 2_776
H(39) C(9) 3.5090 no .
H(39) C(17) 3.4781 no 1_545
H(39) C(20) 2.5721 no 1_545
H(39) H(3) 3.4667 no 1_655
H(39) H(13) 2.7615 no .
H(39) H(14) 3.4722 no .
H(39) H(36) 2.9427 no 1_545
H(40) C(12) 3.4058 no 2_665
H(40) C(13) 3.1801 no 2_665
H(40) C(14) 3.3246 no 2_665
H(40) H(3) 3.0314 no 1_655
H(40) H(13) 2.9372 no .
H(40) H(17) 3.4545 no 2_665
H(40) H(21) 3.0306 no 2_665
H(41) C(13) 3.5420 no 2_665
H(41) C(14) 3.4969 no 2_665
H(41) C(20) 3.2984 no 2_765
H(41) C(26) 3.4158 no 2_765
H(41) H(2) 3.1244 no 1_655
H(41) H(17) 3.4179 no 2_665
H(41) H(18) 3.2965 no 2_665
H(41) H(21) 3.0995 no 2_665
H(41) H(24) 3.3956 no 2_765
H(41) H(26) 2.6225 no 2_765
H(41) H(36) 3.4427 no 2_765
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(3) Mo(1) Cl(1) Zr(1) -1.13(7) no . . .
Cl(1) Mo(1) P(1) C(1) 61.99(6) no . . .
Cl(1) Mo(1) P(1) C(6) -51.95(6) no . . .
Cl(1) Mo(1) P(1) C(8) -177.33(6) no . . .
P(1) Mo(1) Cl(1) Zr(1) -67.82(4) no . . .
Cl(1) Mo(1) P(2) C(10) -53.07(7) no . . .
Cl(1) Mo(1) P(2) C(15) 60.92(7) no . . .
Cl(1) Mo(1) P(2) C(17) 175.68(6) no . . .
Cl(1) Mo(1) P(2) C(19) -150.37(6) no . . .
P(2) Mo(1) Cl(1) Zr(1) 67.73(4) no . . .
Cl(1) Mo(1) C(21) C(22) 51.0(3) no . . .
Cl(1) Mo(1) C(21) C(25) -67.8(3) no . . .
Cl(1) Mo(1) C(21) C(26) 172.42(19) no . . .
C(21) Mo(1) Cl(1) Zr(1) -174.14(18) no . . .
Cl(1) Mo(1) C(22) C(21) -147.59(13) no . . .
Cl(1) Mo(1) C(22) C(23) -29.6(2) no . . .
Cl(1) Mo(1) C(22) C(27) 90.0(4) no . . .
C(22) Mo(1) Cl(1) Zr(1) -145.32(12) no . . .
Cl(1) Mo(1) C(23) C(22) 153.31(18) no . . .
Cl(1) Mo(1) C(23) C(24) -92.00(17) no . . .
Cl(1) Mo(1) C(23) C(28) 25.6(4) no . . .
C(23) Mo(1) Cl(1) Zr(1) -162.10(12) no . . .
Cl(1) Mo(1) C(24) C(23) 84.63(17) no . . .
Cl(1) Mo(1) C(24) C(25) -161.94(17) no . . .
Cl(1) Mo(1) C(24) C(29) -33.1(4) no . . .
C(24) Mo(1) Cl(1) Zr(1) 160.69(13) no . . .
Cl(1) Mo(1) C(25) C(21) 137.81(14) no . . .
Cl(1) Mo(1) C(25) C(24) 21.1(3) no . . .
Cl(1) Mo(1) C(25) C(30) -98.4(4) no . . .
C(25) Mo(1) Cl(1) Zr(1) 148.31(13) no . . .
Cl(3) Mo(1) P(1) C(1) -76.55(6) no . . .
Cl(3) Mo(1) P(1) C(6) 169.50(7) no . . .
Cl(3) Mo(1) P(1) C(8) 44.13(6) no . . .
Cl(3) Mo(1) P(2) C(10) 84.89(7) no . . .
Cl(3) Mo(1) P(2) C(15) -161.13(8) no . . .
Cl(3) Mo(1) P(2) C(17) -46.36(6) no . . .
Cl(3) Mo(1) P(2) C(19) -12.41(6) no . . .
Cl(3) Mo(1) C(21) C(22) -124.03(17) no . . .
Cl(3) Mo(1) C(21) C(25) 117.18(18) no . . .
Cl(3) Mo(1) C(21) C(26) -2.6(3) no . . .
Cl(3) Mo(1) C(22) C(21) 57.46(17) no . . .
Cl(3) Mo(1) C(22) C(23) 175.45(14) no . . .
Cl(3) Mo(1) C(22) C(27) -64.9(5) no . . .
Cl(3) Mo(1) C(23) C(22) -6.6(3) no . . .
Cl(3) Mo(1) C(23) C(24) 108.06(18) no . . .
Cl(3) Mo(1) C(23) C(28) -134.3(3) no . . .
Cl(3) Mo(1) C(24) C(23) -113.80(18) no . . .
Cl(3) Mo(1) C(24) C(25) -0.4(3) no . . .
Cl(3) Mo(1) C(24) C(29) 128.5(3) no . . .
Cl(3) Mo(1) C(25) C(21) -63.54(18) no . . .
Cl(3) Mo(1) C(25) C(24) 179.74(14) no . . .
Cl(3) Mo(1) C(25) C(30) 60.2(4) no . . .
P(1) Mo(1) P(2) C(10) 21.78(12) no . . .
P(1) Mo(1) P(2) C(15) 135.77(7) no . . .
P(1) Mo(1) P(2) C(17) -109.47(7) no . . .
P(1) Mo(1) P(2) C(19) -75.52(9) no . . .
P(2) Mo(1) P(1) C(1) -13.00(10) no . . .
P(2) Mo(1) P(1) C(6) -126.95(7) no . . .
P(2) Mo(1) P(1) C(8) 107.68(8) no . . .
P(1) Mo(1) C(21) C(22) -47.80(18) no . . .
P(1) Mo(1) C(21) C(25) -166.58(14) no . . .
P(1) Mo(1) C(21) C(26) 73.6(4) no . . .
C(21) Mo(1) P(1) C(1) -156.33(13) no . . .
C(21) Mo(1) P(1) C(6) 89.72(13) no . . .
C(21) Mo(1) P(1) C(8) -35.65(13) no . . .
P(1) Mo(1) C(22) C(21) 133.73(17) no . . .
P(1) Mo(1) C(22) C(23) -108.27(17) no . . .
P(1) Mo(1) C(22) C(27) 11.4(4) no . . .
C(22) Mo(1) P(1) C(1) 178.84(14) no . . .
C(22) Mo(1) P(1) C(6) 64.90(14) no . . .
C(22) Mo(1) P(1) C(8) -60.48(13) no . . .
P(1) Mo(1) C(23) C(22) 70.25(17) no . . .
P(1) Mo(1) C(23) C(24) -175.07(16) no . . .
P(1) Mo(1) C(23) C(28) -57.5(4) no . . .
C(23) Mo(1) P(1) C(1) 145.29(14) no . . .
C(23) Mo(1) P(1) C(6) 31.34(14) no . . .
C(23) Mo(1) P(1) C(8) -94.03(13) no . . .
P(1) Mo(1) C(24) C(23) 6.5(3) no . . .
P(1) Mo(1) C(24) C(25) 119.91(16) no . . .
P(1) Mo(1) C(24) C(29) -111.3(4) no . . .
C(24) Mo(1) P(1) C(1) 141.38(17) no . . .
C(24) Mo(1) P(1) C(6) 27.43(18) no . . .
C(24) Mo(1) P(1) C(8) -97.94(17) no . . .
P(1) Mo(1) C(25) C(21) 19.7(3) no . . .
P(1) Mo(1) C(25) C(24) -97.0(2) no . . .
P(1) Mo(1) C(25) C(30) 143.5(3) no . . .
C(25) Mo(1) P(1) C(1) -167.73(19) no . . .
C(25) Mo(1) P(1) C(6) 78.3(2) no . . .
C(25) Mo(1) P(1) C(8) -47.1(2) no . . .
P(2) Mo(1) C(21) C(22) 159.88(12) no . . .
P(2) Mo(1) C(21) C(25) 41.1(2) no . . .
P(2) Mo(1) C(21) C(26) -78.7(4) no . . .
C(21) Mo(1) P(2) C(10) 163.33(13) no . . .
C(21) Mo(1) P(2) C(15) -82.69(14) no . . .
C(21) Mo(1) P(2) C(17) 32.07(13) no . . .
C(21) Mo(1) P(2) C(19) 66.03(13) no . . .
P(2) Mo(1) C(22) C(21) -32.0(3) no . . .
P(2) Mo(1) C(22) C(23) 86.0(3) no . . .
P(2) Mo(1) C(22) C(27) -154.4(3) no . . .
C(22) Mo(1) P(2) C(10) -178.0(2) no . . .
C(22) Mo(1) P(2) C(15) -64.0(3) no . . .
C(22) Mo(1) P(2) C(17) 50.8(3) no . . .
C(22) Mo(1) P(2) C(19) 84.7(2) no . . .
P(2) Mo(1) C(23) C(22) -129.75(14) no . . .
P(2) Mo(1) C(23) C(24) -15.1(3) no . . .
P(2) Mo(1) C(23) C(28) 102.5(4) no . . .
C(23) Mo(1) P(2) C(10) -129.96(16) no . . .
C(23) Mo(1) P(2) C(15) -15.98(18) no . . .
C(23) Mo(1) P(2) C(17) 98.78(17) no . . .
C(23) Mo(1) P(2) C(19) 132.74(16) no . . .
P(2) Mo(1) C(24) C(23) 168.30(16) no . . .
P(2) Mo(1) C(24) C(25) -78.27(16) no . . .
P(2) Mo(1) C(24) C(29) 50.5(4) no . . .
C(24) Mo(1) P(2) C(10) -139.00(14) no . . .
C(24) Mo(1) P(2) C(15) -25.02(15) no . . .
C(24) Mo(1) P(2) C(17) 89.75(14) no . . .
C(24) Mo(1) P(2) C(19) 123.70(14) no . . .
P(2) Mo(1) C(25) C(21) -142.31(19) no . . .
P(2) Mo(1) C(25) C(24) 100.97(16) no . . .
P(2) Mo(1) C(25) C(30) -18.5(4) no . . .
C(25) Mo(1) P(2) C(10) -174.75(14) no . . .
C(25) Mo(1) P(2) C(15) -60.77(14) no . . .
C(25) Mo(1) P(2) C(17) 53.99(13) no . . .
C(25) Mo(1) P(2) C(19) 87.95(14) no . . .
C(21) Mo(1) C(22) C(21) 0.00(19) no . . .
C(21) Mo(1) C(22) C(23) 118.0(3) no . . .
C(21) Mo(1) C(22) C(27) -122.4(6) no . . .
C(22) Mo(1) C(21) C(22) -0.00(19) no . . .
C(22) Mo(1) C(21) C(25) -118.8(4) no . . .
C(22) Mo(1) C(21) C(26) 121.4(5) no . . .
C(21) Mo(1) C(23) C(22) -35.46(17) no . . .
C(21) Mo(1) C(23) C(24) 79.2(2) no . . .
C(21) Mo(1) C(23) C(28) -163.2(5) no . . .
C(23) Mo(1) C(21) C(22) 36.94(18) no . . .
C(23) Mo(1) C(21) C(25) -81.8(2) no . . .
C(23) Mo(1) C(21) C(26) 158.4(4) no . . .
C(21) Mo(1) C(24) C(23) -77.4(2) no . . .
C(21) Mo(1) C(24) C(25) 36.04(17) no . . .
C(21) Mo(1) C(24) C(29) 164.9(5) no . . .
C(24) Mo(1) C(21) C(22) 80.6(3) no . . .
C(24) Mo(1) C(21) C(25) -38.18(19) no . . .
C(24) Mo(1) C(21) C(26) -158.0(4) no . . .
C(21) Mo(1) C(25) C(21) 0.0(2) no . . .
C(21) Mo(1) C(25) C(24) -116.7(4) no . . .
C(21) Mo(1) C(25) C(30) 123.8(6) no . . .
C(25) Mo(1) C(21) C(22) 118.8(4) no . . .
C(25) Mo(1) C(21) C(25) 0.0(2) no . . .
C(25) Mo(1) C(21) C(26) -119.8(5) no . . .
C(22) Mo(1) C(23) C(22) 0.00(19) no . . .
C(22) Mo(1) C(23) C(24) 114.7(4) no . . .
C(22) Mo(1) C(23) C(28) -127.7(5) no . . .
C(23) Mo(1) C(22) C(21) -118.0(4) no . . .
C(23) Mo(1) C(22) C(23) 0.0(2) no . . .
C(23) Mo(1) C(22) C(27) 119.6(6) no . . .
C(22) Mo(1) C(24) C(23) -37.62(18) no . . .
C(22) Mo(1) C(24) C(25) 75.8(2) no . . .
C(22) Mo(1) C(24) C(29) -155.4(5) no . . .
C(24) Mo(1) C(22) C(21) -78.6(2) no . . .
C(24) Mo(1) C(22) C(23) 39.39(18) no . . .
C(24) Mo(1) C(22) C(27) 159.0(5) no . . .
C(22) Mo(1) C(25) C(21) 35.41(18) no . . .
C(22) Mo(1) C(25) C(24) -81.3(2) no . . .
C(22) Mo(1) C(25) C(30) 159.2(5) no . . .
C(25) Mo(1) C(22) C(21) -35.79(18) no . . .
C(25) Mo(1) C(22) C(23) 82.2(2) no . . .
C(25) Mo(1) C(22) C(27) -158.2(5) no . . .
C(23) Mo(1) C(24) C(23) 0.0(2) no . . .
C(23) Mo(1) C(24) C(25) 113.4(4) no . . .
C(23) Mo(1) C(24) C(29) -117.8(5) no . . .
C(24) Mo(1) C(23) C(22) -114.7(4) no . . .
C(24) Mo(1) C(23) C(24) 0.0(2) no . . .
C(24) Mo(1) C(23) C(28) 117.6(5) no . . .
C(23) Mo(1) C(25) C(21) 77.0(3) no . . .
C(23) Mo(1) C(25) C(24) -39.72(18) no . . .
C(23) Mo(1) C(25) C(30) -159.2(5) no . . .
C(25) Mo(1) C(23) C(22) -75.7(2) no . . .
C(25) Mo(1) C(23) C(24) 38.99(18) no . . .
C(25) Mo(1) C(23) C(28) 156.6(5) no . . .
C(24) Mo(1) C(25) C(21) 116.7(4) no . . .
C(24) Mo(1) C(25) C(24) 0.0(2) no . . .
C(24) Mo(1) C(25) C(30) -119.5(6) no . . .
C(25) Mo(1) C(24) C(23) -113.4(4) no . . .
C(25) Mo(1) C(24) C(25) 0.00(19) no . . .
C(25) Mo(1) C(24) C(29) 128.8(5) no . . .
Cl(2) Zr(1) Cl(1) Mo(1) 174.10(4) no . . .
Cl(1) Zr(1) C(1) P(1) -27.1(2) no . . .
Cl(1) Zr(1) C(1) C(2) -149.94(15) no . . .
Cl(1) Zr(1) C(1) C(5) 96.55(13) no . . .
C(1) Zr(1) Cl(1) Mo(1) 61.27(12) no . . .
Cl(1) Zr(1) C(2) C(1) 35.1(2) no . . .
Cl(1) Zr(1) C(2) C(3) 148.99(12) no . . .
C(2) Zr(1) Cl(1) Mo(1) 42.77(13) no . . .
Cl(1) Zr(1) C(3) C(2) -50.8(4) no . . .
Cl(1) Zr(1) C(3) C(4) 66.6(3) no . . .
C(3) Zr(1) Cl(1) Mo(1) 71.3(2) no . . .
Cl(1) Zr(1) C(4) C(3) -139.80(12) no . . .
Cl(1) Zr(1) C(4) C(5) -25.5(3) no . . .
C(4) Zr(1) Cl(1) Mo(1) 107.70(15) no . . .
Cl(1) Zr(1) C(5) C(1) -84.98(14) no . . .
Cl(1) Zr(1) C(5) C(4) 159.13(17) no . . .
C(5) Zr(1) Cl(1) Mo(1) 94.17(12) no . . .
Cl(1) Zr(1) C(10) P(2) 37.8(2) no . . .
Cl(1) Zr(1) C(10) C(11) 161.41(18) no . . .
Cl(1) Zr(1) C(10) C(14) -84.96(13) no . . .
C(10) Zr(1) Cl(1) Mo(1) -66.05(13) no . . .
Cl(1) Zr(1) C(11) C(10) -21.4(4) no . . .
Cl(1) Zr(1) C(11) C(12) -135.63(14) no . . .
C(11) Zr(1) Cl(1) Mo(1) -54.4(2) no . . .
Cl(1) Zr(1) C(12) C(11) 66.5(4) no . . .
Cl(1) Zr(1) C(12) C(13) -49.7(4) no . . .
C(12) Zr(1) Cl(1) Mo(1) -88.5(3) no . . .
Cl(1) Zr(1) C(13) C(12) 146.33(15) no . . .
Cl(1) Zr(1) C(13) C(14) 30.5(3) no . . .
C(13) Zr(1) Cl(1) Mo(1) -114.83(16) no . . .
Cl(1) Zr(1) C(14) C(10) 92.94(13) no . . .
Cl(1) Zr(1) C(14) C(13) -152.3(2) no . . .
C(14) Zr(1) Cl(1) Mo(1) -98.98(12) no . . .
Cl(2) Zr(1) C(1) P(1) -106.7(2) no . . .
Cl(2) Zr(1) C(1) C(2) 130.46(14) no . . .
Cl(2) Zr(1) C(1) C(5) 16.95(16) no . . .
Cl(2) Zr(1) C(2) C(1) -67.77(18) no . . .
Cl(2) Zr(1) C(2) C(3) 46.1(3) no . . .
Cl(2) Zr(1) C(3) C(2) -145.41(16) no . . .
Cl(2) Zr(1) C(3) C(4) -28.06(19) no . . .
Cl(2) Zr(1) C(4) C(3) 152.26(18) no . . .
Cl(2) Zr(1) C(4) C(5) -93.49(19) no . . .
Cl(2) Zr(1) C(5) C(1) -164.18(15) no . . .
Cl(2) Zr(1) C(5) C(4) 79.93(18) no . . .
Cl(2) Zr(1) C(10) P(2) 115.1(2) no . . .
Cl(2) Zr(1) C(10) C(11) -121.30(16) no . . .
Cl(2) Zr(1) C(10) C(14) -7.67(17) no . . .
Cl(2) Zr(1) C(11) C(10) 81.5(3) no . . .
Cl(2) Zr(1) C(11) C(12) -32.7(3) no . . .
Cl(2) Zr(1) C(12) C(11) 155.3(2) no . . .
Cl(2) Zr(1) C(12) C(13) 39.1(3) no . . .
Cl(2) Zr(1) C(13) C(12) -140.8(3) no . . .
Cl(2) Zr(1) C(13) C(14) 103.4(3) no . . .
Cl(2) Zr(1) C(14) C(10) 173.27(14) no . . .
Cl(2) Zr(1) C(14) C(13) -71.92(19) no . . .
C(1) Zr(1) C(2) C(1) 0.00(17) no . . .
C(1) Zr(1) C(2) C(3) 113.9(4) no . . .
C(2) Zr(1) C(1) P(1) 122.9(4) no . . .
C(2) Zr(1) C(1) C(2) 0.00(18) no . . .
C(2) Zr(1) C(1) C(5) -113.5(3) no . . .
C(1) Zr(1) C(3) C(2) -38.39(18) no . . .
C(1) Zr(1) C(3) C(4) 79.0(3) no . . .
C(3) Zr(1) C(1) P(1) 160.1(3) no . . .
C(3) Zr(1) C(1) C(2) 37.20(17) no . . .
C(3) Zr(1) C(1) C(5) -76.31(19) no . . .
C(1) Zr(1) C(4) C(3) -77.4(3) no . . .
C(1) Zr(1) C(4) C(5) 36.88(18) no . . .
C(4) Zr(1) C(1) P(1) -160.2(3) no . . .
C(4) Zr(1) C(1) C(2) 76.96(18) no . . .
C(4) Zr(1) C(1) C(5) -36.56(16) no . . .
C(1) Zr(1) C(5) C(1) 0.00(16) no . . .
C(1) Zr(1) C(5) C(4) -115.9(3) no . . .
C(5) Zr(1) C(1) P(1) -123.6(4) no . . .
C(5) Zr(1) C(1) C(2) 113.5(3) no . . .
C(5) Zr(1) C(1) C(5) 0.00(16) no . . .
C(1) Zr(1) C(10) P(2) -51.5(3) no . . .
C(1) Zr(1) C(10) C(11) 72.1(3) no . . .
C(1) Zr(1) C(10) C(14) -174.25(12) no . . .
C(10) Zr(1) C(1) P(1) 60.6(3) no . . .
C(10) Zr(1) C(1) C(2) -62.3(2) no . . .
C(10) Zr(1) C(1) C(5) -175.77(13) no . . .
C(1) Zr(1) C(11) C(10) -125.5(3) no . . .
C(1) Zr(1) C(11) C(12) 120.3(3) no . . .
C(11) Zr(1) C(1) P(1) 95.1(3) no . . .
C(11) Zr(1) C(1) C(2) -27.7(2) no . . .
C(11) Zr(1) C(1) C(5) -141.21(17) no . . .
C(1) Zr(1) C(12) C(11) -76.0(3) no . . .
C(1) Zr(1) C(12) C(13) 167.81(17) no . . .
C(12) Zr(1) C(1) P(1) 129.0(3) no . . .
C(12) Zr(1) C(1) C(2) 6.2(3) no . . .
C(12) Zr(1) C(1) C(5) -107.3(3) no . . .
C(1) Zr(1) C(13) C(12) -24.4(6) no . . .
C(1) Zr(1) C(13) C(14) -140.3(3) no . . .
C(13) Zr(1) C(1) P(1) 144.4(4) no . . .
C(13) Zr(1) C(1) C(2) 21.6(5) no . . .
C(13) Zr(1) C(1) C(5) -91.9(5) no . . .
C(1) Zr(1) C(14) C(10) 13.4(5) no . . .
C(1) Zr(1) C(14) C(13) 128.2(3) no . . .
C(14) Zr(1) C(1) P(1) 51.5(5) no . . .
C(14) Zr(1) C(1) C(2) -71.4(4) no . . .
C(14) Zr(1) C(1) C(5) 175.1(3) no . . .
C(2) Zr(1) C(3) C(2) 0.0(2) no . . .
C(2) Zr(1) C(3) C(4) 117.4(4) no . . .
C(3) Zr(1) C(2) C(1) -113.9(4) no . . .
C(3) Zr(1) C(2) C(3) 0.0(2) no . . .
C(2) Zr(1) C(4) C(3) -35.96(17) no . . .
C(2) Zr(1) C(4) C(5) 78.3(3) no . . .
C(4) Zr(1) C(2) C(1) -78.3(2) no . . .
C(4) Zr(1) C(2) C(3) 35.57(17) no . . .
C(2) Zr(1) C(5) C(1) 38.38(15) no . . .
C(2) Zr(1) C(5) C(4) -77.5(2) no . . .
C(5) Zr(1) C(2) C(1) -37.82(15) no . . .
C(5) Zr(1) C(2) C(3) 76.1(2) no . . .
C(2) Zr(1) C(10) P(2) -82.3(3) no . . .
C(2) Zr(1) C(10) C(11) 41.3(3) no . . .
C(2) Zr(1) C(10) C(14) 154.92(14) no . . .
C(10) Zr(1) C(2) C(1) 132.43(17) no . . .
C(10) Zr(1) C(2) C(3) -113.65(19) no . . .
C(2) Zr(1) C(11) C(10) -140.5(3) no . . .
C(2) Zr(1) C(11) C(12) 105.3(3) no . . .
C(11) Zr(1) C(2) C(1) 154.1(2) no . . .
C(11) Zr(1) C(2) C(3) -92.0(2) no . . .
C(2) Zr(1) C(12) C(11) -72.6(3) no . . .
C(2) Zr(1) C(12) C(13) 171.2(3) no . . .
C(12) Zr(1) C(2) C(1) -174.9(2) no . . .
C(12) Zr(1) C(2) C(3) -61.0(3) no . . .
C(2) Zr(1) C(13) C(12) -10.4(3) no . . .
C(2) Zr(1) C(13) C(14) -126.3(3) no . . .
C(13) Zr(1) C(2) C(1) -169.37(18) no . . .
C(13) Zr(1) C(2) C(3) -55.5(3) no . . .
C(2) Zr(1) C(14) C(10) -35.8(3) no . . .
C(2) Zr(1) C(14) C(13) 79.0(3) no . . .
C(14) Zr(1) C(2) C(1) 151.90(15) no . . .
C(14) Zr(1) C(2) C(3) -94.2(3) no . . .
C(3) Zr(1) C(4) C(3) 0.00(19) no . . .
C(3) Zr(1) C(4) C(5) 114.3(4) no . . .
C(4) Zr(1) C(3) C(2) -117.4(4) no . . .
C(4) Zr(1) C(3) C(4) 0.00(19) no . . .
C(3) Zr(1) C(5) C(1) 78.8(2) no . . .
C(3) Zr(1) C(5) C(4) -37.10(18) no . . .
C(5) Zr(1) C(3) C(2) -79.6(2) no . . .
C(5) Zr(1) C(3) C(4) 37.80(17) no . . .
C(3) Zr(1) C(10) P(2) -116.0(2) no . . .
C(3) Zr(1) C(10) C(11) 7.6(3) no . . .
C(3) Zr(1) C(10) C(14) 121.26(17) no . . .
C(10) Zr(1) C(3) C(2) 79.6(3) no . . .
C(10) Zr(1) C(3) C(4) -163.07(17) no . . .
C(3) Zr(1) C(11) C(10) -173.2(3) no . . .
C(3) Zr(1) C(11) C(12) 72.6(3) no . . .
C(11) Zr(1) C(3) C(2) 83.8(3) no . . .
C(11) Zr(1) C(3) C(4) -158.8(3) no . . .
C(3) Zr(1) C(12) C(11) -101.6(3) no . . .
C(3) Zr(1) C(12) C(13) 142.2(3) no . . .
C(12) Zr(1) C(3) C(2) 115.5(3) no . . .
C(12) Zr(1) C(3) C(4) -127.1(3) no . . .
C(3) Zr(1) C(13) C(12) -37.3(3) no . . .
C(3) Zr(1) C(13) C(14) -153.2(3) no . . .
C(13) Zr(1) C(3) C(2) 134.9(3) no . . .
C(13) Zr(1) C(3) C(4) -107.7(3) no . . .
C(3) Zr(1) C(14) C(10) -79.8(3) no . . .
C(3) Zr(1) C(14) C(13) 35.0(3) no . . .
C(14) Zr(1) C(3) C(2) 116.6(2) no . . .
C(14) Zr(1) C(3) C(4) -126.0(2) no . . .
C(4) Zr(1) C(5) C(1) 115.9(4) no . . .
C(4) Zr(1) C(5) C(4) 0.0(3) no . . .
C(5) Zr(1) C(4) C(3) -114.3(4) no . . .
C(5) Zr(1) C(4) C(5) 0.0(2) no . . .
C(4) Zr(1) C(10) P(2) -132.7(3) no . . .
C(4) Zr(1) C(10) C(11) -9.0(4) no . . .
C(4) Zr(1) C(10) C(14) 104.6(3) no . . .
C(10) Zr(1) C(4) C(3) 28.6(4) no . . .
C(10) Zr(1) C(4) C(5) 142.8(3) no . . .
C(4) Zr(1) C(11) C(10) 174.7(3) no . . .
C(4) Zr(1) C(11) C(12) 60.5(3) no . . .
C(11) Zr(1) C(4) C(3) 23.1(3) no . . .
C(11) Zr(1) C(4) C(5) 137.4(3) no . . .
C(4) Zr(1) C(12) C(11) -126.9(3) no . . .
C(4) Zr(1) C(12) C(13) 116.9(3) no . . .
C(12) Zr(1) C(4) C(3) 51.0(3) no . . .
C(12) Zr(1) C(4) C(5) 165.2(3) no . . .
C(4) Zr(1) C(13) C(12) -69.7(3) no . . .
C(4) Zr(1) C(13) C(14) 174.4(3) no . . .
C(13) Zr(1) C(4) C(3) 81.1(3) no . . .
C(13) Zr(1) C(4) C(5) -164.7(3) no . . .
C(4) Zr(1) C(14) C(10) -123.3(3) no . . .
C(4) Zr(1) C(14) C(13) -8.5(4) no . . .
C(14) Zr(1) C(4) C(3) 85.9(3) no . . .
C(14) Zr(1) C(4) C(5) -159.9(2) no . . .
C(5) Zr(1) C(11) C(10) -154.24(18) no . . .
C(5) Zr(1) C(11) C(12) 91.6(4) no . . .
C(11) Zr(1) C(5) C(1) 55.1(3) no . . .
C(11) Zr(1) C(5) C(4) -60.8(4) no . . .
C(5) Zr(1) C(12) C(11) -116.9(3) no . . .
C(5) Zr(1) C(12) C(13) 126.9(2) no . . .
C(12) Zr(1) C(5) C(1) 97.3(3) no . . .
C(12) Zr(1) C(5) C(4) -18.6(4) no . . .
C(5) Zr(1) C(13) C(12) -82.6(4) no . . .
C(5) Zr(1) C(13) C(14) 161.51(19) no . . .
C(13) Zr(1) C(5) C(1) 138.8(3) no . . .
C(13) Zr(1) C(5) C(4) 22.9(4) no . . .
C(10) Zr(1) C(11) C(10) -0.0(2) no . . .
C(10) Zr(1) C(11) C(12) -114.2(5) no . . .
C(11) Zr(1) C(10) P(2) -123.6(5) no . . .
C(11) Zr(1) C(10) C(11) -0.0(3) no . . .
C(11) Zr(1) C(10) C(14) 113.6(4) no . . .
C(10) Zr(1) C(12) C(11) 38.4(2) no . . .
C(10) Zr(1) C(12) C(13) -77.7(3) no . . .
C(12) Zr(1) C(10) P(2) -160.5(4) no . . .
C(12) Zr(1) C(10) C(11) -36.8(3) no . . .
C(12) Zr(1) C(10) C(14) 76.8(3) no . . .
C(10) Zr(1) C(13) C(12) 78.3(3) no . . .
C(10) Zr(1) C(13) C(14) -37.5(2) no . . .
C(13) Zr(1) C(10) P(2) 159.7(4) no . . .
C(13) Zr(1) C(10) C(11) -76.7(3) no . . .
C(13) Zr(1) C(10) C(14) 36.95(19) no . . .
C(10) Zr(1) C(14) C(10) 0.00(15) no . . .
C(10) Zr(1) C(14) C(13) 114.8(3) no . . .
C(14) Zr(1) C(10) P(2) 122.7(4) no . . .
C(14) Zr(1) C(10) C(11) -113.6(3) no . . .
C(14) Zr(1) C(10) C(14) 0.00(16) no . . .
C(11) Zr(1) C(12) C(11) 0.0(3) no . . .
C(11) Zr(1) C(12) C(13) -116.2(4) no . . .
C(12) Zr(1) C(11) C(10) 114.2(5) no . . .
C(12) Zr(1) C(11) C(12) 0.0(3) no . . .
C(11) Zr(1) C(13) C(12) 36.4(2) no . . .
C(11) Zr(1) C(13) C(14) -79.4(3) no . . .
C(13) Zr(1) C(11) C(10) 77.9(3) no . . .
C(13) Zr(1) C(11) C(12) -36.3(3) no . . .
C(11) Zr(1) C(14) C(10) -38.4(2) no . . .
C(11) Zr(1) C(14) C(13) 76.4(3) no . . .
C(14) Zr(1) C(11) C(10) 37.6(2) no . . .
C(14) Zr(1) C(11) C(12) -76.6(3) no . . .
C(12) Zr(1) C(13) C(12) 0.0(3) no . . .
C(12) Zr(1) C(13) C(14) -115.9(5) no . . .
C(13) Zr(1) C(12) C(11) 116.2(4) no . . .
C(13) Zr(1) C(12) C(13) 0.0(3) no . . .
C(12) Zr(1) C(14) C(10) -78.5(3) no . . .
C(12) Zr(1) C(14) C(13) 36.3(3) no . . .
C(14) Zr(1) C(12) C(11) 79.4(3) no . . .
C(14) Zr(1) C(12) C(13) -36.75(19) no . . .
C(13) Zr(1) C(14) C(10) -114.8(4) no . . .
C(13) Zr(1) C(14) C(13) 0.0(3) no . . .
C(14) Zr(1) C(13) C(12) 115.9(5) no . . .
C(14) Zr(1) C(13) C(14) 0.0(3) no . . .
Mo(1) P(1) C(1) Zr(1) -20.9(3) no . . .
Mo(1) P(1) C(1) C(2) 60.4(4) no . . .
Mo(1) P(1) C(1) C(5) -101.9(4) no . . .
Mo(1) P(1) C(6) C(7) 178.57(18) no . . .
Mo(1) P(1) C(8) C(9) -130.4(3) no . . .
C(1) P(1) C(6) C(7) 60.1(3) no . . .
C(6) P(1) C(1) Zr(1) 105.2(3) no . . .
C(6) P(1) C(1) C(2) -173.6(4) no . . .
C(6) P(1) C(1) C(5) 24.2(4) no . . .
C(1) P(1) C(8) C(9) -8.5(4) no . . .
C(8) P(1) C(1) Zr(1) -148.1(2) no . . .
C(8) P(1) C(1) C(2) -66.8(4) no . . .
C(8) P(1) C(1) C(5) 131.0(4) no . . .
C(6) P(1) C(8) C(9) 96.4(3) no . . .
C(8) P(1) C(6) C(7) -49.4(3) no . . .
Mo(1) P(2) C(10) Zr(1) 8.8(3) no . . .
Mo(1) P(2) C(10) C(11) -73.2(4) no . . .
Mo(1) P(2) C(10) C(14) 92.1(4) no . . .
Mo(1) P(2) C(15) C(16) -176.5(2) no . . .
Mo(1) P(2) C(17) C(18) 135.0(4) no . . .
Mo(1) P(2) C(17) C(19) 109.1(4) no . . .
Mo(1) P(2) C(17) C(20) 33.1(12) no . . .
Mo(1) P(2) C(19) C(17) -87.6(7) no . . .
Mo(1) P(2) C(19) C(18) -168.9(11) no . . .
Mo(1) P(2) C(19) C(20) -69.9(7) no . . .
C(10) P(2) C(15) C(16) -57.1(4) no . . .
C(15) P(2) C(10) Zr(1) -116.6(3) no . . .
C(15) P(2) C(10) C(11) 161.4(4) no . . .
C(15) P(2) C(10) C(14) -33.4(5) no . . .
C(10) P(2) C(17) C(18) 5.6(5) no . . .
C(10) P(2) C(17) C(19) -20.2(6) no . . .
C(10) P(2) C(17) C(20) -96.2(11) no . . .
C(17) P(2) C(10) Zr(1) 140.9(3) no . . .
C(17) P(2) C(10) C(11) 59.0(5) no . . .
C(17) P(2) C(10) C(14) -135.8(4) no . . .
C(10) P(2) C(19) C(17) 161.6(7) no . . .
C(10) P(2) C(19) C(18) 80.2(12) no . . .
C(10) P(2) C(19) C(20) 179.3(7) no . . .
C(19) P(2) C(10) Zr(1) 130.8(4) no . . .
C(19) P(2) C(10) C(11) 48.9(5) no . . .
C(19) P(2) C(10) C(14) -145.9(5) no . . .
C(15) P(2) C(17) C(18) -98.6(4) no . . .
C(15) P(2) C(17) C(19) -124.4(4) no . . .
C(15) P(2) C(17) C(20) 159.6(11) no . . .
C(17) P(2) C(15) C(16) 59.0(4) no . . .
C(15) P(2) C(19) C(17) 62.7(7) no . . .
C(15) P(2) C(19) C(18) -18.6(13) no . . .
C(15) P(2) C(19) C(20) 80.4(7) no . . .
C(19) P(2) C(15) C(16) 32.2(5) no . . .
C(17) P(2) C(19) C(17) 0.0(5) no . . .
C(17) P(2) C(19) C(18) -81.3(14) no . . .
C(17) P(2) C(19) C(20) 17.7(5) no . . .
C(19) P(2) C(17) C(18) 25.9(7) no . . .
C(19) P(2) C(17) C(19) 0.0(7) no . . .
C(19) P(2) C(17) C(20) -76.0(13) no . . .
Zr(1) C(1) C(2) Zr(1) 0.000(11) no . . .
Zr(1) C(1) C(2) C(3) -69.3(3) no . . .
Zr(1) C(1) C(5) Zr(1) 0.0 no . . .
Zr(1) C(1) C(5) C(4) 68.3(3) no . . .
P(1) C(1) C(2) Zr(1) -99.7(4) no . . .
P(1) C(1) C(2) C(3) -168.9(3) no . . .
P(1) C(1) C(5) Zr(1) 99.2(4) no . . .
P(1) C(1) C(5) C(4) 167.6(3) no . . .
C(2) C(1) C(5) Zr(1) -65.8(3) no . . .
C(2) C(1) C(5) C(4) 2.5(5) no . . .
C(5) C(1) C(2) Zr(1) 65.5(3) no . . .
C(5) C(1) C(2) C(3) -3.7(5) no . . .
Zr(1) C(2) C(3) Zr(1) 0.000(12) no . . .
Zr(1) C(2) C(3) C(4) -63.7(3) no . . .
C(1) C(2) C(3) Zr(1) 67.3(3) no . . .
C(1) C(2) C(3) C(4) 3.6(5) no . . .
Zr(1) C(3) C(4) Zr(1) 0.0 no . . .
Zr(1) C(3) C(4) C(5) -64.5(3) no . . .
C(2) C(3) C(4) Zr(1) 62.5(4) no . . .
C(2) C(3) C(4) C(5) -2.0(5) no . . .
Zr(1) C(4) C(5) Zr(1) 0.000(12) no . . .
Zr(1) C(4) C(5) C(1) -67.3(3) no . . .
C(3) C(4) C(5) Zr(1) 67.0(4) no . . .
C(3) C(4) C(5) C(1) -0.3(5) no . . .
Zr(1) C(10) C(11) Zr(1) 0.000(11) no . . .
Zr(1) C(10) C(11) C(12) 68.6(3) no . . .
Zr(1) C(10) C(14) Zr(1) 0.0 no . . .
Zr(1) C(10) C(14) C(13) -67.9(3) no . . .
P(2) C(10) C(11) Zr(1) 100.5(4) no . . .
P(2) C(10) C(11) C(12) 169.2(4) no . . .
P(2) C(10) C(14) Zr(1) -101.6(4) no . . .
P(2) C(10) C(14) C(13) -169.5(3) no . . .
C(11) C(10) C(14) Zr(1) 66.1(4) no . . .
C(11) C(10) C(14) C(13) -1.8(6) no . . .
C(14) C(10) C(11) Zr(1) -66.9(4) no . . .
C(14) C(10) C(11) C(12) 1.7(6) no . . .
Zr(1) C(11) C(12) Zr(1) 0.000(11) no . . .
Zr(1) C(11) C(12) C(13) 66.1(4) no . . .
C(10) C(11) C(12) Zr(1) -67.0(4) no . . .
C(10) C(11) C(12) C(13) -0.9(7) no . . .
Zr(1) C(12) C(13) Zr(1) 0.000(11) no . . .
Zr(1) C(12) C(13) C(14) 64.1(4) no . . .
C(11) C(12) C(13) Zr(1) -64.2(5) no . . .
C(11) C(12) C(13) C(14) -0.2(7) no . . .
Zr(1) C(13) C(14) Zr(1) 0.000(12) no . . .
Zr(1) C(13) C(14) C(10) 66.1(3) no . . .
C(12) C(13) C(14) Zr(1) -64.9(5) no . . .
C(12) C(13) C(14) C(10) 1.3(6) no . . .
P(2) C(17) C(18) C(19) -47.1(6) no . . .
P(2) C(17) C(18) C(20) -155.8(7) no . . .
P(2) C(17) C(19) P(2) 0.00(5) no . . .
P(2) C(17) C(19) C(18) 137.1(10) no . . .
P(2) C(17) C(19) C(20) -157.0(6) no . . .
P(2) C(17) C(20) C(18) 109.8(15) no . . .
P(2) C(17) C(20) C(19) 75.5(15) no . . .
C(18) C(17) C(19) P(2) -137.1(12) no . . .
C(18) C(17) C(19) C(18) 0.0(6) no . . .
C(18) C(17) C(19) C(20) 65.9(12) no . . .
C(19) C(17) C(18) C(19) 0.0(12) no . . .
C(19) C(17) C(18) C(20) -108.7(14) no . . .
C(18) C(17) C(20) C(18) 0.0(4) no . . .
C(18) C(17) C(20) C(19) -34.2(5) no . . .
C(20) C(17) C(18) C(19) 108.7(10) no . . .
C(20) C(17) C(18) C(20) 0.0(7) no . . .
C(19) C(17) C(20) C(18) 34.2(8) no . . .
C(19) C(17) C(20) C(19) 0.0(7) no . . .
C(20) C(17) C(19) P(2) 157.0(9) no . . .
C(20) C(17) C(19) C(18) -65.9(13) no . . .
C(20) C(17) C(19) C(20) 0.0(7) no . . .
C(17) C(18) C(19) P(2) 66.0(12) no . . .
C(17) C(18) C(19) C(17) 0.0(5) no . . .
C(17) C(18) C(19) C(20) -42.8(8) no . . .
C(17) C(18) C(20) C(17) 0.0(4) no . . .
C(17) C(18) C(20) C(19) 43.2(7) no . . .
C(19) C(18) C(20) C(17) -43.2(10) no . . .
C(19) C(18) C(20) C(19) 0.0(8) no . . .
C(20) C(18) C(19) P(2) 108.9(14) no . . .
C(20) C(18) C(19) C(17) 42.8(8) no . . .
C(20) C(18) C(19) C(20) 0.0(5) no . . .
P(2) C(19) C(20) C(17) -21.7(6) no . . .
P(2) C(19) C(20) C(18) -138.2(11) no . . .
C(17) C(19) C(20) C(17) 0.0(6) no . . .
C(17) C(19) C(20) C(18) -116.5(13) no . . .
C(18) C(19) C(20) C(17) 116.5(12) no . . .
C(18) C(19) C(20) C(18) 0.0(5) no . . .
Mo(1) C(21) C(22) Mo(1) 0.0 no . . .
Mo(1) C(21) C(22) C(23) -59.2(2) no . . .
Mo(1) C(21) C(22) C(27) 135.0(3) no . . .
Mo(1) C(21) C(25) Mo(1) 0.000(12) no . . .
Mo(1) C(21) C(25) C(24) 60.8(2) no . . .
Mo(1) C(21) C(25) C(30) -137.1(4) no . . .
C(22) C(21) C(25) Mo(1) -62.0(3) no . . .
C(22) C(21) C(25) C(24) -1.2(4) no . . .
C(22) C(21) C(25) C(30) 160.9(3) no . . .
C(25) C(21) C(22) Mo(1) 60.7(3) no . . .
C(25) C(21) C(22) C(23) 1.4(4) no . . .
C(25) C(21) C(22) C(27) -164.3(3) no . . .
C(26) C(21) C(22) Mo(1) -124.0(4) no . . .
C(26) C(21) C(22) C(23) 176.7(3) no . . .
C(26) C(21) C(22) C(27) 11.0(6) no . . .
C(26) C(21) C(25) Mo(1) 122.7(4) no . . .
C(26) C(21) C(25) C(24) -176.5(3) no . . .
C(26) C(21) C(25) C(30) -14.5(6) no . . .
Mo(1) C(22) C(23) Mo(1) 0.0 no . . .
Mo(1) C(22) C(23) C(24) -64.18(19) no . . .
Mo(1) C(22) C(23) C(28) 130.9(4) no . . .
C(21) C(22) C(23) Mo(1) 63.1(3) no . . .
C(21) C(22) C(23) C(24) -1.1(4) no . . .
C(21) C(22) C(23) C(28) -166.1(3) no . . .
C(27) C(22) C(23) Mo(1) -131.6(4) no . . .
C(27) C(22) C(23) C(24) 164.2(3) no . . .
C(27) C(22) C(23) C(28) -0.8(6) no . . .
Mo(1) C(23) C(24) Mo(1) 0.000(13) no . . .
Mo(1) C(23) C(24) C(25) -67.9(2) no . . .
Mo(1) C(23) C(24) C(29) 127.1(3) no . . .
C(22) C(23) C(24) Mo(1) 68.4(3) no . . .
C(22) C(23) C(24) C(25) 0.4(4) no . . .
C(22) C(23) C(24) C(29) -164.5(3) no . . .
C(28) C(23) C(24) Mo(1) -126.0(4) no . . .
C(28) C(23) C(24) C(25) 166.1(3) no . . .
C(28) C(23) C(24) C(29) 1.1(5) no . . .
Mo(1) C(24) C(25) Mo(1) 0.000(11) no . . .
Mo(1) C(24) C(25) C(21) -65.5(2) no . . .
Mo(1) C(24) C(25) C(30) 133.0(4) no . . .
C(23) C(24) C(25) Mo(1) 65.9(3) no . . .
C(23) C(24) C(25) C(21) 0.5(4) no . . .
C(23) C(24) C(25) C(30) -161.1(3) no . . .
C(29) C(24) C(25) Mo(1) -130.4(4) no . . .
C(29) C(24) C(25) C(21) 164.1(4) no . . .
C(29) C(24) C(25) C(30) 2.6(6) no . . .
C(32) C(31) C(33) C(32) 0.5(11) no . 2_755 2_755
C(33) C(31) C(32) C(33) -0.5(10) no 2_755 . .
C(31) C(32) C(33) C(31) 0.4(9) no . . 2_755
