#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:13:48 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178694 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/05/4080570.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_4080570
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         'C35 H59 Cl2 Mo P2 Zr'
_chemical_formula_sum            'C35 H59 Cl2 Mo P2 Zr'
_chemical_formula_weight         799.86
_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                111.3080(8)
_cell_angle_beta                 92.5210(9)
_cell_angle_gamma                101.4460(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4654(4)
_cell_length_b                   12.6094(5)
_cell_length_c                   13.8707(5)
_cell_measurement_reflns_used    9275
_cell_measurement_temperature    198
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.00
_cell_volume                     1816.21(12)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID 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    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      198
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17269
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.889
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.944
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             830.00
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         3.520
_refine_diff_density_min         -1.320
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     386
_refine_ls_number_reflns         8148
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[7.6200σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1312
_reflns_number_gt                5908
_reflns_number_total             8148
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om400088d_si_002.cif
_cod_data_source_block           '_6a'
_cod_original_cell_volume        1816.22(11)
_cod_database_code               4080570
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 0.19704(5) 0.36805(5) 0.21959(4) 0.02039(16) Uani 1.0 2 d .
Zr(1) Zr 0.06310(5) 0.14618(6) 0.29718(4) 0.02096(18) Uani 1.0 2 d .
Cl(1) Cl 0.18139(15) 0.35731(15) 0.39619(10) 0.0265(5) Uani 1.0 2 d .
Cl(2) Cl 0.11991(16) 0.22781(16) 0.03511(11) 0.0365(5) Uani 1.0 2 d .
P(1) P -0.02384(15) 0.35110(16) 0.21727(11) 0.0232(5) Uani 1.0 2 d .
P(2) P 0.32270(17) 0.22192(18) 0.19733(13) 0.0324(6) Uani 1.0 2 d .
C(1) C -0.0966(5) 0.2168(6) 0.2283(4) 0.0203(17) Uani 1.0 2 d .
C(2) C -0.1323(6) 0.2048(6) 0.3212(5) 0.027(2) Uani 1.0 2 d .
C(3) C -0.1592(6) 0.0855(7) 0.3042(5) 0.030(2) Uani 1.0 2 d .
C(4) C -0.1409(6) 0.0224(7) 0.2035(5) 0.029(2) Uani 1.0 2 d .
C(5) C -0.0992(6) 0.1031(6) 0.1570(5) 0.028(2) Uani 1.0 2 d .
C(6) C -0.0771(6) 0.4578(6) 0.3246(5) 0.029(2) Uani 1.0 2 d .
C(7) C -0.2122(6) 0.4477(7) 0.3197(5) 0.038(3) Uani 1.0 2 d .
C(8) C -0.1062(6) 0.3518(7) 0.1003(5) 0.035(3) Uani 1.0 2 d .
C(9) C -0.2253(7) 0.2626(7) 0.0568(5) 0.053(3) Uani 1.0 2 d .
C(10) C 0.2460(6) 0.0981(6) 0.2236(4) 0.0244(19) Uani 1.0 2 d .
C(11) C 0.2517(6) 0.0858(6) 0.3207(5) 0.027(2) Uani 1.0 2 d .
C(12) C 0.1602(6) -0.0110(7) 0.3141(5) 0.033(3) Uani 1.0 2 d .
C(13) C 0.0962(7) -0.0579(7) 0.2139(5) 0.035(3) Uani 1.0 2 d .
C(14) C 0.1479(6) 0.0092(6) 0.1587(5) 0.031(2) Uani 1.0 2 d .
C(15) C 0.4606(7) 0.2689(8) 0.2890(7) 0.056(3) Uani 1.0 2 d .
C(16) C 0.5352(7) 0.1773(8) 0.2785(8) 0.073(4) Uani 1.0 2 d .
C(17) C 0.3595(11) 0.1157(11) 0.0624(9) 0.121(4) Uiso 1.0 2 d .
C(18) C 0.4215(12) 0.1960(11) -0.0002(9) 0.121(4) Uiso 1.0 2 d .
C(19) C 0.2406(6) 0.5634(6) 0.3076(5) 0.028(2) Uani 1.0 2 d .
C(20) C 0.1957(6) 0.5490(6) 0.2044(5) 0.029(2) Uani 1.0 2 d .
C(21) C 0.2766(6) 0.5006(6) 0.1374(5) 0.029(2) Uani 1.0 2 d .
C(22) C 0.3716(6) 0.4860(6) 0.1953(5) 0.0263(19) Uani 1.0 2 d .
C(23) C 0.3519(6) 0.5245(6) 0.3022(5) 0.0265(19) Uani 1.0 2 d .
C(24) C 0.2028(7) 0.6366(7) 0.4099(5) 0.039(3) Uani 1.0 2 d .
C(25) C 0.1029(7) 0.6033(7) 0.1738(6) 0.044(3) Uani 1.0 2 d .
C(26) C 0.2662(7) 0.4757(7) 0.0209(4) 0.039(3) Uani 1.0 2 d .
C(27) C 0.4907(6) 0.4721(7) 0.1557(6) 0.044(3) Uani 1.0 2 d .
C(28) C 0.4400(7) 0.5537(7) 0.3957(5) 0.041(3) Uani 1.0 2 d .
C(29) C 0.0454(6) 0.1584(7) 0.4678(4) 0.030(2) Uani 1.0 2 d .
C(30) C 0.1580(6) 0.1910(7) 0.5481(4) 0.033(2) Uani 1.0 2 d .
C(31) C 0.1282(7) 0.2096(7) 0.6603(4) 0.042(3) Uani 1.0 2 d .
C(32) C 0.2362(9) 0.2512(8) 0.7408(5) 0.072(4) Uani 1.0 2 d .
C(33) C 0.4639(14) 0.9755(13) 0.4523(7) 0.157(4) Uiso 1.0 2 d .
C(34) C 0.5172(10) 0.8848(13) 0.3633(10) 0.157(4) Uiso 1.0 2 d .
C(35) C 0.4193(13) 0.8259(12) 0.2550(8) 0.157(4) Uiso 1.0 2 d .
H(1) H -0.1485 0.2676 0.3821 0.0349 Uiso 1.0 2 calc R
H(2) H -0.1947 0.0512 0.3523 0.0383 Uiso 1.0 2 calc R
H(3) H -0.1612 -0.0630 0.1683 0.0314 Uiso 1.0 2 calc R
H(4) H -0.0896 0.0825 0.0830 0.0325 Uiso 1.0 2 calc R
H(5) H -0.0614 0.4560 0.3932 0.0355 Uiso 1.0 2 calc R
H(6) H -0.0512 0.5390 0.3326 0.0355 Uiso 1.0 2 calc R
H(7) H -0.2509 0.3723 0.3184 0.0460 Uiso 1.0 2 calc R
H(8) H -0.2306 0.5076 0.3793 0.0460 Uiso 1.0 2 calc R
H(9) H -0.2405 0.4559 0.2572 0.0459 Uiso 1.0 2 calc R
H(10) H -0.1344 0.4221 0.1100 0.0458 Uiso 1.0 2 calc R
H(11) H -0.0660 0.3357 0.0382 0.0457 Uiso 1.0 2 calc R
H(12) H -0.2794 0.2728 0.1086 0.0612 Uiso 1.0 2 calc R
H(13) H -0.2605 0.2719 -0.0029 0.0612 Uiso 1.0 2 calc R
H(14) H -0.2103 0.1857 0.0362 0.0613 Uiso 1.0 2 calc R
H(15) H 0.3165 0.1285 0.3785 0.0361 Uiso 1.0 2 calc R
H(16) H 0.1488 -0.0441 0.3679 0.0435 Uiso 1.0 2 calc R
H(17) H 0.0332 -0.1302 0.1856 0.0392 Uiso 1.0 2 calc R
H(18) H 0.1281 -0.0105 0.0839 0.0354 Uiso 1.0 2 calc R
H(19) H 0.5208 0.3335 0.2865 0.0727 Uiso 1.0 2 calc R
H(20) H 0.4484 0.2873 0.3615 0.0727 Uiso 1.0 2 calc R
H(21) H 0.5593 0.1560 0.2099 0.0981 Uiso 1.0 2 calc R
H(22) H 0.6050 0.2075 0.3295 0.0982 Uiso 1.0 2 calc R
H(23) H 0.4866 0.1096 0.2852 0.0980 Uiso 1.0 2 calc R
H(24) H 0.1187 0.6081 0.4097 0.0473 Uiso 1.0 2 calc R
H(25) H 0.2472 0.6311 0.4675 0.0473 Uiso 1.0 2 calc R
H(26) H 0.2178 0.7168 0.4167 0.0473 Uiso 1.0 2 calc R
H(27) H 0.0495 0.5464 0.1143 0.0601 Uiso 1.0 2 calc R
H(28) H 0.0581 0.6302 0.2312 0.0600 Uiso 1.0 2 calc R
H(29) H 0.1410 0.6683 0.1570 0.0600 Uiso 1.0 2 calc R
H(30) H 0.2686 0.5470 0.0100 0.0486 Uiso 1.0 2 calc R
H(31) H 0.3316 0.4431 -0.0079 0.0486 Uiso 1.0 2 calc R
H(32) H 0.1916 0.4210 -0.0129 0.0485 Uiso 1.0 2 calc R
H(33) H 0.5271 0.5394 0.1414 0.0567 Uiso 1.0 2 calc R
H(34) H 0.5430 0.4640 0.2072 0.0566 Uiso 1.0 2 calc R
H(35) H 0.4774 0.4035 0.0927 0.0567 Uiso 1.0 2 calc R
H(36) H 0.5051 0.6166 0.3993 0.0500 Uiso 1.0 2 calc R
H(37) H 0.4013 0.5772 0.4575 0.0500 Uiso 1.0 2 calc R
H(38) H 0.4704 0.4864 0.3903 0.0500 Uiso 1.0 2 calc R
H(39) H 0.0155 0.2157 0.5227 0.0407 Uiso 1.0 2 calc R
H(40) H 0.0157 0.0960 0.4919 0.0406 Uiso 1.0 2 calc R
H(41) H 0.1999 0.1282 0.5249 0.0399 Uiso 1.0 2 calc R
H(42) H 0.2091 0.2626 0.5490 0.0399 Uiso 1.0 2 calc R
H(43) H 0.0814 0.2686 0.6817 0.0503 Uiso 1.0 2 calc R
H(44) H 0.0819 0.1365 0.6605 0.0503 Uiso 1.0 2 calc R
H(45) H 0.2828 0.3241 0.7423 0.0810 Uiso 1.0 2 calc R
H(46) H 0.2130 0.2614 0.8087 0.0810 Uiso 1.0 2 calc R
H(47) H 0.2832 0.1934 0.7213 0.0810 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
Cl(1) Mo(1) Cl(2) 134.42(7) yes .
Cl(1) Mo(1) P(1) 82.77(6) yes .
Cl(1) Mo(1) P(2) 83.83(7) yes .
Cl(1) Mo(1) C(19) 85.01(18) yes .
Cl(1) Mo(1) C(20) 117.85(15) yes .
Cl(1) Mo(1) C(21) 141.70(13) yes .
Cl(1) Mo(1) C(22) 118.57(15) yes .
Cl(1) Mo(1) C(23) 85.41(18) yes .
Cl(2) Mo(1) P(1) 78.37(6) yes .
Cl(2) Mo(1) P(2) 79.06(7) yes .
Cl(2) Mo(1) C(19) 136.73(19) yes .
Cl(2) Mo(1) C(20) 100.72(14) yes .
Cl(2) Mo(1) C(21) 83.86(13) yes .
Cl(2) Mo(1) C(22) 101.60(14) yes .
Cl(2) Mo(1) C(23) 137.39(17) yes .
P(1) Mo(1) P(2) 132.16(7) yes .
P(1) Mo(1) C(19) 93.15(19) yes .
P(1) Mo(1) C(20) 83.28(17) yes .
P(1) Mo(1) C(21) 108.91(19) yes .
P(1) Mo(1) C(22) 141.1(2) yes .
P(1) Mo(1) C(23) 130.07(18) yes .
P(2) Mo(1) C(19) 131.00(19) yes .
P(2) Mo(1) C(20) 142.41(18) yes .
P(2) Mo(1) C(21) 109.89(19) yes .
P(2) Mo(1) C(22) 84.7(2) yes .
P(2) Mo(1) C(23) 94.1(2) yes .
C(19) Mo(1) C(20) 36.0(3) yes .
C(19) Mo(1) C(21) 58.7(3) yes .
C(19) Mo(1) C(22) 59.9(3) yes .
C(19) Mo(1) C(23) 37.4(3) yes .
C(20) Mo(1) C(21) 34.3(3) yes .
C(20) Mo(1) C(22) 58.3(3) yes .
C(20) Mo(1) C(23) 60.4(3) yes .
C(21) Mo(1) C(22) 34.3(3) yes .
C(21) Mo(1) C(23) 58.8(3) yes .
C(22) Mo(1) C(23) 35.8(2) yes .
Cl(1) Zr(1) C(1) 90.45(14) yes .
Cl(1) Zr(1) C(2) 91.83(15) yes .
Cl(1) Zr(1) C(3) 121.39(16) yes .
Cl(1) Zr(1) C(4) 143.36(19) yes .
Cl(1) Zr(1) C(5) 119.80(18) yes .
Cl(1) Zr(1) C(10) 89.02(15) yes .
Cl(1) Zr(1) C(11) 87.01(15) yes .
Cl(1) Zr(1) C(12) 115.76(14) yes .
Cl(1) Zr(1) C(13) 140.45(16) yes .
Cl(1) Zr(1) C(14) 120.46(16) yes .
Cl(1) Zr(1) C(29) 80.80(17) yes .
C(1) Zr(1) C(2) 33.1(3) yes .
C(1) Zr(1) C(3) 54.3(3) yes .
C(1) Zr(1) C(4) 54.4(3) yes .
C(1) Zr(1) C(5) 33.1(2) yes .
C(1) Zr(1) C(10) 129.3(3) yes .
C(1) Zr(1) C(11) 162.3(3) yes .
C(1) Zr(1) C(12) 153.77(19) yes .
C(1) Zr(1) C(13) 123.8(2) yes .
C(1) Zr(1) C(14) 112.9(2) yes .
C(1) Zr(1) C(29) 112.2(3) yes .
C(2) Zr(1) C(3) 32.4(3) yes .
C(2) Zr(1) C(4) 53.6(2) yes .
C(2) Zr(1) C(5) 54.38(19) yes .
C(2) Zr(1) C(10) 162.4(3) yes .
C(2) Zr(1) C(11) 164.4(3) yes .
C(2) Zr(1) C(12) 138.6(3) yes .
C(2) Zr(1) C(13) 127.5(3) yes .
C(2) Zr(1) C(14) 137.04(19) yes .
C(2) Zr(1) C(29) 79.7(3) yes .
C(3) Zr(1) C(4) 31.72(19) yes .
C(3) Zr(1) C(5) 53.7(3) yes .
C(3) Zr(1) C(10) 149.4(2) yes .
C(3) Zr(1) C(11) 140.2(3) yes .
C(3) Zr(1) C(12) 107.9(3) yes .
C(3) Zr(1) C(13) 96.4(3) yes .
C(3) Zr(1) C(14) 116.4(2) yes .
C(3) Zr(1) C(29) 74.3(3) yes .
C(4) Zr(1) C(5) 32.8(3) yes .
C(4) Zr(1) C(10) 120.03(19) yes .
C(4) Zr(1) C(11) 129.6(3) yes .
C(4) Zr(1) C(12) 99.9(3) yes .
C(4) Zr(1) C(13) 75.6(3) yes .
C(4) Zr(1) C(14) 86.6(2) yes .
C(4) Zr(1) C(29) 101.6(2) yes .
C(5) Zr(1) C(10) 110.5(2) yes .
C(5) Zr(1) C(11) 138.4(2) yes .
C(5) Zr(1) C(12) 122.0(2) yes .
C(5) Zr(1) C(13) 90.7(3) yes .
C(5) Zr(1) C(14) 83.8(3) yes .
C(5) Zr(1) C(29) 127.8(3) yes .
C(10) Zr(1) C(11) 33.2(3) yes .
C(10) Zr(1) C(12) 54.7(3) yes .
C(10) Zr(1) C(13) 54.9(3) yes .
C(10) Zr(1) C(14) 33.51(19) yes .
C(10) Zr(1) C(29) 117.7(3) yes .
C(11) Zr(1) C(12) 32.8(3) yes .
C(11) Zr(1) C(13) 54.2(2) yes .
C(11) Zr(1) C(14) 54.6(2) yes .
C(11) Zr(1) C(29) 84.7(3) yes .
C(12) Zr(1) C(13) 32.1(2) yes .
C(12) Zr(1) C(14) 53.9(3) yes .
C(12) Zr(1) C(29) 75.4(3) yes .
C(13) Zr(1) C(14) 32.7(3) yes .
C(13) Zr(1) C(29) 100.7(3) yes .
C(14) Zr(1) C(29) 129.3(3) yes .
Mo(1) Cl(1) Zr(1) 85.96(4) yes .
Mo(1) P(1) C(1) 110.8(3) yes .
Mo(1) P(1) C(6) 118.17(19) yes .
Mo(1) P(1) C(8) 117.1(3) yes .
C(1) P(1) C(6) 100.9(3) yes .
C(1) P(1) C(8) 104.7(3) yes .
C(6) P(1) C(8) 103.1(4) yes .
Mo(1) P(2) C(10) 111.6(3) yes .
Mo(1) P(2) C(15) 116.7(3) yes .
Mo(1) P(2) C(17) 125.9(5) yes .
C(10) P(2) C(15) 100.3(4) yes .
C(10) P(2) C(17) 90.5(5) yes .
C(15) P(2) C(17) 106.0(5) yes .
Zr(1) C(1) P(1) 106.3(3) yes .
Zr(1) C(1) C(2) 73.8(5) yes .
Zr(1) C(1) C(5) 72.5(4) yes .
P(1) C(1) C(2) 125.6(5) yes .
P(1) C(1) C(5) 126.1(5) yes .
C(2) C(1) C(5) 106.3(7) yes .
Zr(1) C(2) C(1) 73.0(4) yes .
Zr(1) C(2) C(3) 75.1(5) yes .
C(1) C(2) C(3) 108.2(6) yes .
Zr(1) C(3) C(2) 72.5(4) yes .
Zr(1) C(3) C(4) 74.3(4) yes .
C(2) C(3) C(4) 108.9(7) yes .
Zr(1) C(4) C(3) 74.0(4) yes .
Zr(1) C(4) C(5) 70.8(4) yes .
C(3) C(4) C(5) 107.6(7) yes .
Zr(1) C(5) C(1) 74.4(4) yes .
Zr(1) C(5) C(4) 76.4(4) yes .
C(1) C(5) C(4) 108.9(6) yes .
P(1) C(6) C(7) 117.1(4) yes .
P(1) C(8) C(9) 116.8(6) yes .
Zr(1) C(10) P(2) 107.0(4) yes .
Zr(1) C(10) C(11) 74.1(4) yes .
Zr(1) C(10) C(14) 73.2(4) yes .
P(2) C(10) C(11) 126.3(5) yes .
P(2) C(10) C(14) 125.7(6) yes .
C(11) C(10) C(14) 106.4(6) yes .
Zr(1) C(11) C(10) 72.7(5) yes .
Zr(1) C(11) C(12) 75.8(5) yes .
C(10) C(11) C(12) 108.6(5) yes .
Zr(1) C(12) C(11) 71.4(5) yes .
Zr(1) C(12) C(13) 73.6(5) yes .
C(11) C(12) C(13) 108.1(7) yes .
Zr(1) C(13) C(12) 74.3(5) yes .
Zr(1) C(13) C(14) 71.1(5) yes .
C(12) C(13) C(14) 107.7(6) yes .
Zr(1) C(14) C(10) 73.3(4) yes .
Zr(1) C(14) C(13) 76.3(4) yes .
C(10) C(14) C(13) 109.2(6) yes .
P(2) C(15) C(16) 116.8(5) yes .
P(2) C(17) C(18) 108.1(8) yes .
Mo(1) C(19) C(20) 76.4(4) yes .
Mo(1) C(19) C(23) 71.8(4) yes .
Mo(1) C(19) C(24) 130.4(5) yes .
C(20) C(19) C(23) 108.1(6) yes .
C(20) C(19) C(24) 127.2(7) yes .
C(23) C(19) C(24) 122.7(6) yes .
Mo(1) C(20) C(19) 67.6(5) yes .
Mo(1) C(20) C(21) 74.3(5) yes .
Mo(1) C(20) C(25) 135.9(5) yes .
C(19) C(20) C(21) 107.1(7) yes .
C(19) C(20) C(25) 127.7(6) yes .
C(21) C(20) C(25) 123.2(7) yes .
Mo(1) C(21) C(20) 71.4(5) yes .
Mo(1) C(21) C(22) 71.1(5) yes .
Mo(1) C(21) C(26) 127.1(5) yes .
C(20) C(21) C(22) 109.8(6) yes .
C(20) C(21) C(26) 124.6(7) yes .
C(22) C(21) C(26) 125.5(7) yes .
Mo(1) C(22) C(21) 74.7(4) yes .
Mo(1) C(22) C(23) 68.5(4) yes .
Mo(1) C(22) C(27) 138.4(6) yes .
C(21) C(22) C(23) 108.5(6) yes .
C(21) C(22) C(27) 123.0(6) yes .
C(23) C(22) C(27) 125.4(6) yes .
Mo(1) C(23) C(19) 70.8(4) yes .
Mo(1) C(23) C(22) 75.6(4) yes .
Mo(1) C(23) C(28) 131.5(6) yes .
C(19) C(23) C(22) 106.6(6) yes .
C(19) C(23) C(28) 123.3(6) yes .
C(22) C(23) C(28) 128.0(6) yes .
Zr(1) C(29) C(30) 121.2(5) yes .
C(29) C(30) C(31) 113.5(6) yes .
C(30) C(31) C(32) 114.3(7) yes .
C(33) C(33) C(34) 113.668 yes 2_676
C(33) C(34) C(35) 109.321 yes .
Zr(1) C(2) H(1) 125.645 no .
C(1) C(2) H(1) 125.323 no .
C(3) C(2) H(1) 125.690 no .
Zr(1) C(3) H(2) 125.271 no .
C(2) C(3) H(2) 125.712 no .
C(4) C(3) H(2) 124.998 no .
Zr(1) C(4) H(3) 125.440 no .
C(3) C(4) H(3) 126.152 no .
C(5) C(4) H(3) 125.932 no .
Zr(1) C(5) H(4) 125.143 no .
C(1) C(5) H(4) 124.847 no .
C(4) C(5) H(4) 125.150 no .
P(1) C(6) H(5) 116.285 no .
P(1) C(6) H(6) 116.070 no .
C(7) C(6) H(5) 99.053 no .
C(7) C(6) H(6) 99.231 no .
H(5) C(6) H(6) 106.452 no .
C(6) C(7) H(7) 109.089 no .
C(6) C(7) H(8) 110.506 no .
C(6) C(7) H(9) 108.900 no .
H(7) C(7) H(8) 109.443 no .
H(7) C(7) H(9) 109.442 no .
H(8) C(7) H(9) 109.444 no .
P(1) C(8) H(10) 115.353 no .
P(1) C(8) H(11) 116.639 no .
C(9) C(8) H(10) 98.548 no .
C(9) C(8) H(11) 100.552 no .
H(10) C(8) H(11) 106.451 no .
C(8) C(9) H(12) 110.567 no .
C(8) C(9) H(13) 109.509 no .
C(8) C(9) H(14) 108.423 no .
H(12) C(9) H(13) 109.428 no .
H(12) C(9) H(14) 109.444 no .
H(13) C(9) H(14) 109.450 no .
Zr(1) C(11) H(15) 125.564 no .
C(10) C(11) H(15) 125.170 no .
C(12) C(11) H(15) 125.474 no .
Zr(1) C(12) H(16) 125.322 no .
C(11) C(12) H(16) 125.759 no .
C(13) C(12) H(16) 125.887 no .
Zr(1) C(13) H(17) 125.727 no .
C(12) C(13) H(17) 125.474 no .
C(14) C(13) H(17) 126.495 no .
Zr(1) C(14) H(18) 124.710 no .
C(10) C(14) H(18) 125.052 no .
C(13) C(14) H(18) 124.950 no .
P(2) C(15) H(19) 116.250 no .
P(2) C(15) H(20) 115.000 no .
C(16) C(15) H(19) 101.272 no .
C(16) C(15) H(20) 98.087 no .
H(19) C(15) H(20) 107.148 no .
C(15) C(16) H(21) 106.464 no .
C(15) C(16) H(22) 112.164 no .
C(15) C(16) H(23) 109.816 no .
H(21) C(16) H(22) 109.443 no .
H(21) C(16) H(23) 109.444 no .
H(22) C(16) H(23) 109.445 no .
C(19) C(24) H(24) 108.989 no .
C(19) C(24) H(25) 110.041 no .
C(19) C(24) H(26) 109.465 no .
H(24) C(24) H(25) 109.446 no .
H(24) C(24) H(26) 109.442 no .
H(25) C(24) H(26) 109.443 no .
C(20) C(25) H(27) 109.751 no .
C(20) C(25) H(28) 108.820 no .
C(20) C(25) H(29) 109.931 no .
H(27) C(25) H(28) 109.445 no .
H(27) C(25) H(29) 109.439 no .
H(28) C(25) H(29) 109.440 no .
C(21) C(26) H(30) 109.744 no .
C(21) C(26) H(31) 109.415 no .
C(21) C(26) H(32) 109.344 no .
H(30) C(26) H(31) 109.444 no .
H(30) C(26) H(32) 109.438 no .
H(31) C(26) H(32) 109.443 no .
C(22) C(27) H(33) 109.868 no .
C(22) C(27) H(34) 109.646 no .
C(22) C(27) H(35) 108.982 no .
H(33) C(27) H(34) 109.441 no .
H(33) C(27) H(35) 109.442 no .
H(34) C(27) H(35) 109.447 no .
C(23) C(28) H(36) 109.261 no .
C(23) C(28) H(37) 109.580 no .
C(23) C(28) H(38) 109.655 no .
H(36) C(28) H(37) 109.447 no .
H(36) C(28) H(38) 109.444 no .
H(37) C(28) H(38) 109.441 no .
Zr(1) C(29) H(39) 128.213 no .
Zr(1) C(29) H(40) 128.553 no .
C(30) C(29) H(39) 85.733 no .
C(30) C(29) H(40) 85.993 no .
H(39) C(29) H(40) 93.404 no .
C(29) C(30) H(41) 107.937 no .
C(29) C(30) H(42) 107.966 no .
C(31) C(30) H(41) 109.062 no .
C(31) C(30) H(42) 108.865 no .
H(41) C(30) H(42) 109.493 no .
C(30) C(31) H(43) 109.078 no .
C(30) C(31) H(44) 108.995 no .
C(32) C(31) H(43) 106.652 no .
C(32) C(31) H(44) 108.258 no .
H(43) C(31) H(44) 109.479 no .
C(31) C(32) H(45) 109.508 no .
C(31) C(32) H(46) 111.084 no .
C(31) C(32) H(47) 107.892 no .
H(45) C(32) H(46) 109.445 no .
H(45) C(32) H(47) 109.446 no .
H(46) C(32) H(47) 109.436 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) 2.5142(17) yes .
Mo(1) Cl(2) 2.5196(14) yes .
Mo(1) P(1) 2.4966(19) yes .
Mo(1) P(2) 2.499(3) yes .
Mo(1) C(19) 2.254(7) yes .
Mo(1) C(20) 2.370(9) yes .
Mo(1) C(21) 2.408(8) yes .
Mo(1) C(22) 2.361(7) yes .
Mo(1) C(23) 2.268(6) yes .
Zr(1) Cl(1) 2.5610(17) yes .
Zr(1) C(1) 2.484(8) yes .
Zr(1) C(2) 2.495(8) yes .
Zr(1) C(3) 2.528(7) yes .
Zr(1) C(4) 2.531(6) yes .
Zr(1) C(5) 2.460(7) yes .
Zr(1) C(10) 2.459(7) yes .
Zr(1) C(11) 2.476(8) yes .
Zr(1) C(12) 2.532(9) yes .
Zr(1) C(13) 2.524(8) yes .
Zr(1) C(14) 2.457(7) yes .
Zr(1) C(29) 2.336(7) yes .
P(1) C(1) 1.796(8) yes .
P(1) C(6) 1.830(7) yes .
P(1) C(8) 1.845(8) yes .
P(2) C(10) 1.800(8) yes .
P(2) C(15) 1.836(8) yes .
P(2) C(17) 1.987(12) yes .
C(1) C(2) 1.420(10) yes .
C(1) C(5) 1.409(9) yes .
C(2) C(3) 1.402(11) yes .
C(3) C(4) 1.383(8) yes .
C(4) C(5) 1.411(11) yes .
C(6) C(7) 1.525(10) yes .
C(8) C(9) 1.523(10) yes .
C(10) C(11) 1.410(10) yes .
C(10) C(14) 1.417(8) yes .
C(11) C(12) 1.415(10) yes .
C(12) C(13) 1.400(9) yes .
C(13) C(14) 1.402(12) yes .
C(15) C(16) 1.538(14) yes .
C(17) C(18) 1.640 yes .
C(19) C(20) 1.435(9) yes .
C(19) C(23) 1.451(11) yes .
C(19) C(24) 1.520(9) yes .
C(20) C(21) 1.410(10) yes .
C(20) C(25) 1.497(12) yes .
C(21) C(22) 1.405(11) yes .
C(21) C(26) 1.524(9) yes .
C(22) C(23) 1.427(9) yes .
C(22) C(27) 1.513(10) yes .
C(23) C(28) 1.492(9) yes .
C(29) C(30) 1.552(9) yes .
C(30) C(31) 1.550(9) yes .
C(31) C(32) 1.499(11) yes .
C(33) C(33) 1.386 yes 2_676
C(33) C(34) 1.589 yes .
C(34) C(35) 1.667 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(24) H(24) 0.960 no .
C(24) H(25) 0.960 no .
C(24) H(26) 0.960 no .
C(25) H(27) 0.960 no .
C(25) H(28) 0.960 no .
C(25) H(29) 0.960 no .
C(26) H(30) 0.960 no .
C(26) H(31) 0.960 no .
C(26) H(32) 0.960 no .
C(27) H(33) 0.960 no .
C(27) H(34) 0.960 no .
C(27) H(35) 0.960 no .
C(28) H(36) 0.960 no .
C(28) H(37) 0.960 no .
C(28) H(38) 0.960 no .
C(29) H(39) 0.970 no .
C(29) H(40) 0.970 no .
C(30) H(41) 0.970 no .
C(30) H(42) 0.970 no .
C(31) H(43) 0.970 no .
C(31) H(44) 0.970 no .
C(32) H(45) 0.960 no .
C(32) H(46) 0.960 no .
C(32) H(47) 0.960 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) 3.416(9) no .
Cl(1) C(28) 3.467(8) no .
Cl(1) C(30) 3.457(9) no .
Cl(2) C(5) 3.519(7) no .
Cl(2) C(8) 3.282(8) no .
Cl(2) C(17) 3.395(15) no .
Cl(2) C(18) 3.593(14) no .
Cl(2) C(26) 3.319(8) no .
P(1) C(25) 3.497(9) no .
C(1) C(7) 3.292(11) no .
C(1) C(9) 3.032(11) no .
C(2) C(6) 3.110(11) no .
C(2) C(7) 3.374(12) no .
C(5) C(8) 3.514(12) no .
C(5) C(9) 3.328(13) no .
C(6) C(24) 3.411(9) no .
C(7) C(8) 3.231(9) no .
C(7) C(9) 3.521(9) no .
C(8) C(25) 3.356(10) no .
C(10) C(16) 3.237(10) no .
C(11) C(15) 3.146(11) no .
C(11) C(16) 3.377(11) no .
C(11) C(30) 3.269(9) no .
C(12) C(30) 3.324(8) no .
C(14) C(17) 3.127(15) no .
C(15) C(28) 3.412(12) no .
C(16) C(17) 3.286(16) no .
C(18) C(27) 3.272(13) no .
C(24) C(25) 3.270(10) no .
C(24) C(28) 3.091(12) no .
C(25) C(26) 3.108(11) no .
C(26) C(27) 3.131(11) no .
C(27) C(28) 3.225(10) no .
Mo(1) H(24) 3.5229 no .
Mo(1) H(32) 3.5223 no .
Mo(1) H(38) 3.5467 no .
Zr(1) H(41) 3.5656 no .
Zr(1) H(42) 3.4558 no .
Cl(1) H(5) 3.2718 no .
Cl(1) H(15) 3.4751 no .
Cl(1) H(20) 3.3574 no .
Cl(1) H(24) 3.3218 no .
Cl(1) H(25) 3.1439 no .
Cl(1) H(37) 3.1765 no .
Cl(1) H(38) 3.4080 no .
Cl(1) H(39) 3.3329 no .
Cl(1) H(42) 2.8199 no .
Cl(2) H(4) 2.9749 no .
Cl(2) H(11) 2.7410 no .
Cl(2) H(18) 3.3287 no .
Cl(2) H(31) 3.5078 no .
Cl(2) H(32) 2.7353 no .
P(1) H(1) 3.1339 no .
P(1) H(4) 3.1287 no .
P(1) H(7) 3.0233 no .
P(1) H(9) 3.0197 no .
P(1) H(12) 3.0352 no .
P(1) H(14) 3.0300 no .
P(1) H(24) 3.3947 no .
P(1) H(27) 3.2641 no .
P(1) H(28) 3.3891 no .
P(2) H(15) 3.1369 no .
P(2) H(18) 3.1285 no .
P(2) H(21) 3.0063 no .
P(2) H(23) 3.0218 no .
P(2) H(34) 3.5098 no .
P(2) H(35) 3.3946 no .
P(2) H(38) 3.4677 no .
C(1) H(2) 3.2297 no .
C(1) H(3) 3.2349 no .
C(1) H(5) 2.9858 no .
C(1) H(7) 2.8848 no .
C(1) H(11) 3.4742 no .
C(1) H(12) 2.9623 no .
C(1) H(14) 2.7719 no .
C(2) H(3) 3.2092 no .
C(2) H(4) 3.2057 no .
C(2) H(5) 2.8810 no .
C(2) H(7) 2.7391 no .
C(2) H(39) 3.1479 no .
C(3) H(4) 3.1928 no .
C(3) H(39) 3.2301 no .
C(3) H(40) 3.1611 no .
C(4) H(1) 3.2035 no .
C(4) H(17) 2.9953 no .
C(4) H(18) 3.5910 no .
C(5) H(1) 3.2073 no .
C(5) H(2) 3.1979 no .
C(5) H(12) 3.4601 no .
C(5) H(14) 2.6687 no .
C(5) H(18) 3.2449 no .
C(6) H(1) 2.7806 no .
C(6) H(10) 2.8688 no .
C(6) H(12) 3.4583 no .
C(6) H(24) 2.5443 no .
C(6) H(28) 3.1133 no .
C(7) H(1) 2.9111 no .
C(7) H(10) 3.0035 no .
C(7) H(12) 2.9099 no .
C(8) H(4) 3.3605 no .
C(8) H(6) 3.1704 no .
C(8) H(7) 3.4663 no .
C(8) H(9) 2.8028 no .
C(8) H(27) 2.6708 no .
C(8) H(28) 3.4081 no .
C(9) H(4) 3.1085 no .
C(9) H(7) 3.4315 no .
C(9) H(9) 2.9982 no .
C(10) H(16) 3.2356 no .
C(10) H(17) 3.2425 no .
C(10) H(20) 2.9715 no .
C(10) H(21) 3.5489 no .
C(10) H(23) 2.8116 no .
C(11) H(17) 3.2210 no .
C(11) H(18) 3.2061 no .
C(11) H(20) 2.9033 no .
C(11) H(23) 2.7368 no .
C(11) H(41) 2.7988 no .
C(11) H(42) 3.2671 no .
C(12) H(18) 3.2004 no .
C(12) H(40) 3.0780 no .
C(12) H(41) 2.7698 no .
C(13) H(3) 2.9747 no .
C(13) H(15) 3.2176 no .
C(14) H(3) 3.5012 no .
C(14) H(4) 3.2907 no .
C(14) H(15) 3.2073 no .
C(14) H(16) 3.2066 no .
C(15) H(15) 2.8322 no .
C(15) H(34) 3.0704 no .
C(15) H(38) 2.5631 no .
C(16) H(15) 2.9834 no .
C(17) H(18) 2.8989 no .
C(17) H(19) 3.4492 no .
C(17) H(21) 2.8390 no .
C(17) H(23) 3.3915 no .
C(17) H(35) 3.4731 no .
C(18) H(21) 3.4958 no .
C(18) H(31) 3.5045 no .
C(18) H(34) 3.5138 no .
C(18) H(35) 2.3929 no .
C(19) H(6) 3.3426 no .
C(19) H(27) 3.3039 no .
C(19) H(28) 2.7136 no .
C(19) H(29) 3.1330 no .
C(19) H(36) 3.0822 no .
C(19) H(37) 2.6504 no .
C(19) H(38) 3.2807 no .
C(20) H(6) 3.4134 no .
C(20) H(24) 2.8961 no .
C(20) H(25) 3.3999 no .
C(20) H(26) 2.8990 no .
C(20) H(30) 2.8505 no .
C(20) H(31) 3.3553 no .
C(20) H(32) 2.8481 no .
C(21) H(27) 2.8066 no .
C(21) H(28) 3.3187 no .
C(21) H(29) 2.8093 no .
C(21) H(33) 2.8106 no .
C(21) H(34) 3.3318 no .
C(21) H(35) 2.8059 no .
C(22) H(19) 3.3321 no .
C(22) H(30) 3.1813 no .
C(22) H(31) 2.6695 no .
C(22) H(32) 3.2170 no .
C(22) H(36) 2.8797 no .
C(22) H(37) 3.3713 no .
C(22) H(38) 2.8843 no .
C(23) H(19) 3.3321 no .
C(23) H(24) 3.2883 no .
C(23) H(25) 2.6728 no .
C(23) H(26) 3.1082 no .
C(23) H(33) 3.0975 no .
C(23) H(34) 2.7031 no .
C(23) H(35) 3.2954 no .
C(24) H(5) 3.3518 no .
C(24) H(6) 2.9135 no .
C(24) H(28) 2.8881 no .
C(24) H(36) 3.5304 no .
C(24) H(37) 2.6616 no .
C(25) H(6) 3.1146 no .
C(25) H(10) 3.0427 no .
C(25) H(11) 3.3382 no .
C(25) H(24) 3.2477 no .
C(25) H(26) 3.2390 no .
C(25) H(30) 3.0031 no .
C(25) H(32) 3.1402 no .
C(26) H(27) 2.9942 no .
C(26) H(29) 3.1325 no .
C(26) H(33) 3.1656 no .
C(26) H(35) 3.0011 no .
C(27) H(19) 2.9925 no .
C(27) H(31) 2.7158 no .
C(27) H(36) 3.1818 no .
C(27) H(38) 3.2154 no .
C(28) H(19) 2.9911 no .
C(28) H(20) 3.2390 no .
C(28) H(25) 2.6777 no .
C(28) H(26) 3.5376 no .
C(28) H(34) 2.8566 no .
C(29) H(1) 3.2277 no .
C(29) H(2) 2.9210 no .
C(29) H(15) 3.4359 no .
C(29) H(16) 2.9362 no .
C(29) H(43) 2.7519 no .
C(29) H(44) 2.8079 no .
C(30) H(15) 3.0096 no .
C(30) H(16) 3.0842 no .
C(30) H(45) 2.7456 no .
C(30) H(46) 3.3902 no .
C(30) H(47) 2.7309 no .
C(31) H(39) 2.2911 no .
C(31) H(40) 2.3968 no .
C(32) H(41) 2.7941 no .
C(32) H(42) 2.7231 no .
H(1) H(2) 2.5459 no .
H(1) H(5) 2.3335 no .
H(1) H(7) 2.2963 no .
H(1) H(8) 3.3552 no .
H(1) H(39) 2.9757 no .
H(2) H(3) 2.5230 no .
H(2) H(39) 3.1061 no .
H(2) H(40) 2.8525 no .
H(3) H(4) 2.5504 no .
H(3) H(17) 2.5681 no .
H(3) H(18) 3.5843 no .
H(4) H(11) 3.4312 no .
H(4) H(12) 3.4838 no .
H(4) H(14) 2.2974 no .
H(4) H(18) 2.9623 no .
H(5) H(7) 2.2371 no .
H(5) H(8) 2.1859 no .
H(5) H(9) 2.7259 no .
H(5) H(24) 2.4618 no .
H(6) H(7) 2.7293 no .
H(6) H(8) 2.1879 no .
H(6) H(9) 2.2370 no .
H(6) H(10) 2.9132 no .
H(6) H(24) 2.0402 no .
H(6) H(25) 3.5830 no .
H(6) H(26) 3.3073 no .
H(6) H(27) 3.3138 no .
H(6) H(28) 2.3727 no .
H(7) H(10) 3.4438 no .
H(7) H(12) 2.6924 no .
H(9) H(10) 2.3712 no .
H(9) H(12) 2.4149 no .
H(9) H(13) 3.4765 no .
H(10) H(12) 2.2443 no .
H(10) H(13) 2.1655 no .
H(10) H(14) 2.7146 no .
H(10) H(27) 2.3491 no .
H(10) H(28) 2.9586 no .
H(11) H(12) 2.7522 no .
H(11) H(13) 2.1889 no .
H(11) H(14) 2.2440 no .
H(11) H(27) 2.5231 no .
H(11) H(32) 3.1397 no .
H(15) H(16) 2.5565 no .
H(15) H(20) 2.3501 no .
H(15) H(22) 3.4321 no .
H(15) H(23) 2.3909 no .
H(15) H(41) 2.4804 no .
H(15) H(42) 2.8540 no .
H(16) H(17) 2.5428 no .
H(16) H(40) 2.7388 no .
H(16) H(41) 2.3974 no .
H(17) H(18) 2.5464 no .
H(19) H(21) 2.2449 no .
H(19) H(22) 2.2501 no .
H(19) H(23) 2.7659 no .
H(19) H(34) 2.2695 no .
H(19) H(35) 3.1668 no .
H(19) H(36) 3.3821 no .
H(19) H(38) 2.1493 no .
H(20) H(21) 2.7061 no .
H(20) H(22) 2.2135 no .
H(20) H(23) 2.2451 no .
H(20) H(37) 3.5681 no .
H(20) H(38) 2.3525 no .
H(24) H(28) 2.6684 no .
H(24) H(37) 3.4051 no .
H(25) H(36) 3.1627 no .
H(25) H(37) 2.0078 no .
H(25) H(38) 3.4199 no .
H(26) H(28) 2.8130 no .
H(26) H(29) 3.4682 no .
H(26) H(37) 3.1529 no .
H(27) H(30) 2.9529 no .
H(27) H(32) 2.7414 no .
H(29) H(30) 2.7425 no .
H(29) H(32) 3.3338 no .
H(30) H(33) 3.4472 no .
H(31) H(33) 2.7338 no .
H(31) H(35) 2.3712 no .
H(33) H(36) 3.3842 no .
H(34) H(36) 2.7745 no .
H(34) H(38) 2.6420 no .
H(39) H(41) 2.5764 no .
H(39) H(42) 2.1595 no .
H(39) H(43) 2.1134 no .
H(39) H(44) 2.6071 no .
H(40) H(41) 2.0681 no .
H(40) H(42) 2.5971 no .
H(40) H(43) 2.6923 no .
H(40) H(44) 2.2659 no .
H(41) H(43) 2.8511 no .
H(41) H(44) 2.3495 no .
H(41) H(45) 3.0825 no .
H(41) H(47) 2.6162 no .
H(42) H(43) 2.3910 no .
H(42) H(44) 2.8486 no .
H(42) H(45) 2.5555 no .
H(42) H(47) 2.9710 no .
H(43) H(45) 2.2988 no .
H(43) H(46) 2.3074 no .
H(43) H(47) 2.7732 no .
H(44) H(45) 2.8009 no .
H(44) H(46) 2.3241 no .
H(44) H(47) 2.2990 no .
Cl(1) H(5) 3.5506 no 2_566
Cl(1) H(8) 2.9199 no 2_566
Cl(2) H(3) 2.9586 no 2_555
Cl(2) H(4) 3.5867 no 2_555
Cl(2) H(17) 3.1466 no 2_555
Cl(2) H(18) 3.3950 no 2_555
Cl(2) H(46) 3.5020 no 1_554
C(2) H(22) 3.0248 no 1_455
C(2) H(24) 3.5944 no 2_566
C(2) H(25) 3.4090 no 2_566
C(3) H(22) 3.3382 no 1_455
C(3) H(44) 3.2857 no 2_556
C(3) H(47) 3.4028 no 2_556
C(4) H(44) 3.3466 no 2_556
C(4) H(46) 3.4487 no 2_556
C(4) H(47) 3.4066 no 2_556
C(5) H(18) 3.0905 no 2_555
C(6) H(43) 3.4925 no 2_566
C(7) H(19) 3.0501 no 1_455
C(7) H(22) 3.3744 no 1_455
C(7) H(25) 3.4553 no 2_566
C(7) H(34) 3.2297 no 1_455
C(7) H(42) 3.4304 no 2_566
C(7) H(45) 3.5116 no 2_566
C(8) H(29) 3.4838 no 2_565
C(8) H(30) 3.0901 no 2_565
C(9) H(18) 3.4991 no 2_555
C(9) H(29) 3.5046 no 2_565
C(9) H(30) 2.9865 no 2_565
C(12) H(44) 3.0131 no 2_556
C(13) H(29) 3.4001 no 1_545
C(13) H(44) 2.9913 no 2_556
C(14) H(4) 3.1153 no 2_555
C(14) H(14) 3.1457 no 2_555
C(15) H(7) 3.2548 no 1_655
C(15) H(37) 3.4595 no 2_666
C(16) H(7) 2.9774 no 1_655
C(17) H(4) 3.5508 no 2_555
C(17) H(14) 3.5604 no 2_555
C(18) H(3) 3.4228 no 2_555
C(18) H(12) 3.4848 no 1_655
C(18) H(13) 3.5863 no 1_655
C(24) H(1) 2.8452 no 2_566
C(24) H(39) 3.3754 no 2_566
C(25) H(11) 3.3280 no 2_565
C(25) H(17) 3.5538 no 1_565
C(25) H(43) 3.2350 no 2_566
C(26) H(10) 3.0778 no 2_565
C(26) H(13) 3.2952 no 2_565
C(26) H(33) 3.3255 no 2_665
C(26) H(46) 3.1215 no 1_554
C(27) H(9) 3.4056 no 1_655
C(27) H(31) 3.2537 no 2_665
C(27) H(45) 3.1199 no 2_666
C(28) H(20) 3.2711 no 2_666
C(28) H(38) 3.3398 no 2_666
C(29) H(40) 3.3981 no 2_556
C(29) H(44) 3.4546 no 2_556
C(30) H(8) 3.4708 no 2_566
C(30) H(40) 3.5988 no 2_556
C(31) H(2) 3.4666 no 2_556
C(31) H(3) 3.5504 no 2_556
C(31) H(6) 3.4252 no 2_566
C(31) H(16) 3.3566 no 2_556
C(31) H(17) 3.1885 no 2_556
C(31) H(28) 3.2701 no 2_566
C(32) H(2) 3.4760 no 2_556
C(32) H(3) 3.0691 no 2_556
C(32) H(17) 3.5280 no 2_556
C(32) H(31) 3.4183 no 1_556
C(32) H(32) 3.4336 no 1_556
C(32) H(33) 3.2613 no 2_666
C(33) H(15) 3.1945 no 1_565
C(33) H(23) 3.3210 no 1_565
C(34) H(2) 3.5870 no 1_665
C(34) H(23) 3.4532 no 1_565
C(34) H(36) 3.5715 no .
C(34) H(41) 3.5925 no 2_666
C(34) H(47) 2.8068 no 2_666
C(35) H(13) 3.5322 no 2_565
C(35) H(23) 3.3693 no 1_565
C(35) H(29) 3.3345 no .
C(35) H(47) 3.4771 no 2_666
H(1) C(24) 2.8452 no 2_566
H(1) H(22) 2.7673 no 1_455
H(1) H(24) 2.7058 no 2_566
H(1) H(25) 2.4722 no 2_566
H(1) H(26) 2.8839 no 2_566
H(2) C(31) 3.4666 no 2_556
H(2) C(32) 3.4760 no 2_556
H(2) C(34) 3.5870 no 1_445
H(2) H(22) 3.3826 no 1_455
H(2) H(26) 3.5309 no 2_566
H(2) H(41) 3.2832 no 2_556
H(2) H(44) 2.8694 no 2_556
H(2) H(47) 2.8220 no 2_556
H(3) Cl(2) 2.9586 no 2_555
H(3) C(18) 3.4228 no 2_555
H(3) C(31) 3.5504 no 2_556
H(3) C(32) 3.0691 no 2_556
H(3) H(44) 3.0104 no 2_556
H(3) H(46) 2.5924 no 2_556
H(3) H(47) 2.8474 no 2_556
H(4) Cl(2) 3.5867 no 2_555
H(4) C(14) 3.1153 no 2_555
H(4) C(17) 3.5508 no 2_555
H(4) H(4) 3.5336 no 2_555
H(4) H(18) 2.1452 no 2_555
H(5) Cl(1) 3.5506 no 2_566
H(5) H(5) 2.9353 no 2_566
H(5) H(24) 3.1793 no 2_566
H(5) H(25) 3.2334 no 2_566
H(6) C(31) 3.4252 no 2_566
H(6) H(39) 2.9460 no 2_566
H(6) H(42) 3.3633 no 2_566
H(6) H(43) 2.5934 no 2_566
H(7) C(15) 3.2548 no 1_455
H(7) C(16) 2.9774 no 1_455
H(7) H(19) 2.5541 no 1_455
H(7) H(20) 3.5464 no 1_455
H(7) H(21) 2.9683 no 1_455
H(7) H(22) 2.4413 no 1_455
H(7) H(25) 2.9843 no 2_566
H(7) H(34) 3.3707 no 1_455
H(7) H(37) 3.5367 no 2_566
H(8) Cl(1) 2.9199 no 2_566
H(8) C(30) 3.4708 no 2_566
H(8) H(19) 3.1216 no 1_455
H(8) H(25) 3.1960 no 2_566
H(8) H(34) 3.2675 no 1_455
H(8) H(36) 3.5500 no 1_455
H(8) H(37) 3.3785 no 2_566
H(8) H(38) 3.4005 no 1_455
H(8) H(39) 3.5980 no 2_566
H(8) H(42) 2.6550 no 2_566
H(8) H(43) 3.3991 no 2_566
H(8) H(45) 3.2745 no 2_566
H(9) C(27) 3.4056 no 1_455
H(9) H(19) 2.9853 no 1_455
H(9) H(33) 3.5709 no 1_455
H(9) H(34) 2.5790 no 1_455
H(9) H(42) 3.5251 no 2_566
H(9) H(43) 3.3651 no 2_566
H(9) H(45) 2.9064 no 2_566
H(10) C(26) 3.0778 no 2_565
H(10) H(27) 3.4342 no 2_565
H(10) H(29) 3.4490 no 2_565
H(10) H(30) 2.4026 no 2_565
H(10) H(32) 2.9218 no 2_565
H(11) C(25) 3.3280 no 2_565
H(11) H(17) 3.3373 no 2_555
H(11) H(27) 2.9872 no 2_565
H(11) H(29) 2.7838 no 2_565
H(11) H(30) 3.1583 no 2_565
H(12) C(18) 3.4848 no 1_455
H(12) H(19) 3.4270 no 1_455
H(12) H(21) 2.8655 no 1_455
H(12) H(30) 3.2423 no 2_565
H(12) H(34) 3.4099 no 1_455
H(12) H(35) 3.5463 no 1_455
H(13) C(18) 3.5863 no 1_455
H(13) C(26) 3.2952 no 2_565
H(13) C(35) 3.5322 no 2_565
H(13) H(29) 2.8350 no 2_565
H(13) H(30) 2.3414 no 2_565
H(14) C(14) 3.1457 no 2_555
H(14) C(17) 3.5604 no 2_555
H(14) H(18) 2.6136 no 2_555
H(15) C(33) 3.1945 no 1_545
H(16) C(31) 3.3566 no 2_556
H(16) H(26) 3.5437 no 1_545
H(16) H(39) 3.3997 no 2_556
H(16) H(40) 2.9207 no 2_556
H(16) H(43) 3.3039 no 2_556
H(16) H(44) 2.6194 no 2_556
H(17) Cl(2) 3.1466 no 2_555
H(17) C(25) 3.5538 no 1_545
H(17) C(31) 3.1885 no 2_556
H(17) C(32) 3.5280 no 2_556
H(17) H(11) 3.3373 no 2_555
H(17) H(28) 3.3645 no 1_545
H(17) H(29) 2.9489 no 1_545
H(17) H(43) 3.1297 no 2_556
H(17) H(44) 2.5751 no 2_556
H(17) H(46) 2.9959 no 2_556
H(18) Cl(2) 3.3950 no 2_555
H(18) C(5) 3.0905 no 2_555
H(18) C(9) 3.4991 no 2_555
H(18) H(4) 2.1452 no 2_555
H(18) H(14) 2.6136 no 2_555
H(19) C(7) 3.0501 no 1_655
H(19) H(7) 2.5541 no 1_655
H(19) H(8) 3.1216 no 1_655
H(19) H(9) 2.9853 no 1_655
H(19) H(12) 3.4270 no 1_655
H(19) H(37) 3.3303 no 2_666
H(20) C(28) 3.2711 no 2_666
H(20) H(7) 3.5464 no 1_655
H(20) H(36) 3.0705 no 2_666
H(20) H(37) 2.7432 no 2_666
H(20) H(38) 3.5195 no 2_666
H(21) H(7) 2.9683 no 1_655
H(21) H(12) 2.8655 no 1_655
H(22) C(2) 3.0248 no 1_655
H(22) C(3) 3.3382 no 1_655
H(22) C(7) 3.3744 no 1_655
H(22) H(1) 2.7673 no 1_655
H(22) H(2) 3.3826 no 1_655
H(22) H(7) 2.4413 no 1_655
H(22) H(25) 2.9977 no 2_666
H(22) H(37) 3.2200 no 2_666
H(23) C(33) 3.3210 no 1_545
H(23) C(34) 3.4532 no 1_545
H(23) C(35) 3.3693 no 1_545
H(24) C(2) 3.5944 no 2_566
H(24) H(1) 2.7058 no 2_566
H(24) H(5) 3.1793 no 2_566
H(24) H(39) 2.8544 no 2_566
H(24) H(43) 3.4472 no 2_566
H(25) C(2) 3.4090 no 2_566
H(25) C(7) 3.4553 no 2_566
H(25) H(1) 2.4722 no 2_566
H(25) H(5) 3.2334 no 2_566
H(25) H(7) 2.9843 no 2_566
H(25) H(8) 3.1960 no 2_566
H(25) H(22) 2.9977 no 2_666
H(26) H(1) 2.8839 no 2_566
H(26) H(2) 3.5309 no 2_566
H(26) H(16) 3.5437 no 1_565
H(26) H(39) 3.0271 no 2_566
H(27) H(10) 3.4342 no 2_565
H(27) H(11) 2.9872 no 2_565
H(27) H(27) 3.0276 no 2_565
H(27) H(32) 3.2131 no 2_565
H(27) H(43) 3.5597 no 2_566
H(28) C(31) 3.2701 no 2_566
H(28) H(17) 3.3645 no 1_565
H(28) H(39) 3.4958 no 2_566
H(28) H(43) 2.3464 no 2_566
H(28) H(44) 3.5157 no 2_566
H(29) C(8) 3.4838 no 2_565
H(29) C(9) 3.5046 no 2_565
H(29) C(13) 3.4001 no 1_565
H(29) C(35) 3.3345 no .
H(29) H(10) 3.4490 no 2_565
H(29) H(11) 2.7838 no 2_565
H(29) H(13) 2.8350 no 2_565
H(29) H(17) 2.9489 no 1_565
H(29) H(43) 3.4863 no 2_566
H(30) C(8) 3.0901 no 2_565
H(30) C(9) 2.9865 no 2_565
H(30) H(10) 2.4026 no 2_565
H(30) H(11) 3.1583 no 2_565
H(30) H(12) 3.2423 no 2_565
H(30) H(13) 2.3414 no 2_565
H(30) H(33) 3.2965 no 2_665
H(30) H(35) 3.3454 no 2_665
H(30) H(46) 3.5768 no 1_554
H(31) C(27) 3.2537 no 2_665
H(31) C(32) 3.4183 no 1_554
H(31) H(33) 2.5533 no 2_665
H(31) H(35) 3.1814 no 2_665
H(31) H(45) 3.2076 no 1_554
H(31) H(46) 2.7909 no 1_554
H(32) C(32) 3.4336 no 1_554
H(32) H(10) 2.9218 no 2_565
H(32) H(27) 3.2131 no 2_565
H(32) H(45) 3.4530 no 1_554
H(32) H(46) 2.6198 no 1_554
H(33) C(26) 3.3255 no 2_665
H(33) C(32) 3.2613 no 2_666
H(33) H(9) 3.5709 no 1_655
H(33) H(30) 3.2965 no 2_665
H(33) H(31) 2.5533 no 2_665
H(33) H(35) 3.5729 no 2_665
H(33) H(45) 2.5492 no 2_666
H(33) H(46) 3.3534 no 2_666
H(33) H(47) 3.4305 no 2_666
H(34) C(7) 3.2297 no 1_655
H(34) H(7) 3.3707 no 1_655
H(34) H(8) 3.2675 no 1_655
H(34) H(9) 2.5790 no 1_655
H(34) H(12) 3.4099 no 1_655
H(34) H(45) 2.8319 no 2_666
H(35) H(12) 3.5463 no 1_655
H(35) H(30) 3.3454 no 2_665
H(35) H(31) 3.1814 no 2_665
H(35) H(33) 3.5729 no 2_665
H(36) C(34) 3.5715 no .
H(36) H(8) 3.5500 no 1_655
H(36) H(20) 3.0705 no 2_666
H(36) H(42) 3.2544 no 2_666
H(36) H(45) 3.3311 no 2_666
H(37) C(15) 3.4595 no 2_666
H(37) H(7) 3.5367 no 2_566
H(37) H(8) 3.3785 no 2_566
H(37) H(19) 3.3303 no 2_666
H(37) H(20) 2.7432 no 2_666
H(37) H(22) 3.2200 no 2_666
H(37) H(38) 2.9470 no 2_666
H(38) C(28) 3.3398 no 2_666
H(38) H(8) 3.4005 no 1_655
H(38) H(20) 3.5195 no 2_666
H(38) H(37) 2.9470 no 2_666
H(38) H(38) 2.9675 no 2_666
H(39) C(24) 3.3754 no 2_566
H(39) H(6) 2.9460 no 2_566
H(39) H(8) 3.5980 no 2_566
H(39) H(16) 3.3997 no 2_556
H(39) H(24) 2.8544 no 2_566
H(39) H(26) 3.0271 no 2_566
H(39) H(28) 3.4958 no 2_566
H(40) C(29) 3.3981 no 2_556
H(40) C(30) 3.5988 no 2_556
H(40) H(16) 2.9207 no 2_556
H(40) H(40) 2.4708 no 2_556
H(40) H(41) 3.2948 no 2_556
H(40) H(44) 2.8812 no 2_556
H(41) C(34) 3.5925 no 2_666
H(41) H(2) 3.2832 no 2_556
H(41) H(40) 3.2948 no 2_556
H(42) C(7) 3.4304 no 2_566
H(42) H(6) 3.3633 no 2_566
H(42) H(8) 2.6550 no 2_566
H(42) H(9) 3.5251 no 2_566
H(42) H(36) 3.2544 no 2_666
H(43) C(6) 3.4925 no 2_566
H(43) C(25) 3.2350 no 2_566
H(43) H(6) 2.5934 no 2_566
H(43) H(8) 3.3991 no 2_566
H(43) H(9) 3.3651 no 2_566
H(43) H(16) 3.3039 no 2_556
H(43) H(17) 3.1297 no 2_556
H(43) H(24) 3.4472 no 2_566
H(43) H(27) 3.5597 no 2_566
H(43) H(28) 2.3464 no 2_566
H(43) H(29) 3.4863 no 2_566
H(44) C(3) 3.2857 no 2_556
H(44) C(4) 3.3466 no 2_556
H(44) C(12) 3.0131 no 2_556
H(44) C(13) 2.9913 no 2_556
H(44) C(29) 3.4546 no 2_556
H(44) H(2) 2.8694 no 2_556
H(44) H(3) 3.0104 no 2_556
H(44) H(16) 2.6194 no 2_556
H(44) H(17) 2.5751 no 2_556
H(44) H(28) 3.5157 no 2_566
H(44) H(40) 2.8812 no 2_556
H(45) C(7) 3.5116 no 2_566
H(45) C(27) 3.1199 no 2_666
H(45) H(8) 3.2745 no 2_566
H(45) H(9) 2.9064 no 2_566
H(45) H(31) 3.2076 no 1_556
H(45) H(32) 3.4530 no 1_556
H(45) H(33) 2.5492 no 2_666
H(45) H(34) 2.8319 no 2_666
H(45) H(36) 3.3311 no 2_666
H(46) Cl(2) 3.5020 no 1_556
H(46) C(4) 3.4487 no 2_556
H(46) C(26) 3.1215 no 1_556
H(46) H(3) 2.5924 no 2_556
H(46) H(17) 2.9959 no 2_556
H(46) H(30) 3.5768 no 1_556
H(46) H(31) 2.7909 no 1_556
H(46) H(32) 2.6198 no 1_556
H(46) H(33) 3.3534 no 2_666
H(47) C(3) 3.4028 no 2_556
H(47) C(4) 3.4066 no 2_556
H(47) C(34) 2.8068 no 2_666
H(47) C(35) 3.4771 no 2_666
H(47) H(2) 2.8220 no 2_556
H(47) H(3) 2.8474 no 2_556
H(47) H(33) 3.4305 no 2_666
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) Mo(1) Cl(1) Zr(1) 1.68(11) no . . .
Cl(1) Mo(1) P(1) C(1) -60.30(8) no . . .
Cl(1) Mo(1) P(1) C(6) 55.41(11) no . . .
Cl(1) Mo(1) P(1) C(8) 179.71(10) no . . .
P(1) Mo(1) Cl(1) Zr(1) 67.55(6) no . . .
Cl(1) Mo(1) P(2) C(10) 53.15(8) no . . .
Cl(1) Mo(1) P(2) C(15) -61.35(11) no . . .
Cl(1) Mo(1) P(2) C(17) 160.47(11) no . . .
P(2) Mo(1) Cl(1) Zr(1) -66.42(6) no . . .
Cl(1) Mo(1) C(19) C(20) -156.5(3) no . . .
Cl(1) Mo(1) C(19) C(23) 89.0(3) no . . .
Cl(1) Mo(1) C(19) C(24) -28.9(5) no . . .
C(19) Mo(1) Cl(1) Zr(1) 161.37(19) no . . .
Cl(1) Mo(1) C(20) C(19) 26.7(3) no . . .
Cl(1) Mo(1) C(20) C(21) 143.15(15) no . . .
Cl(1) Mo(1) C(20) C(25) -95.0(5) no . . .
C(20) Mo(1) Cl(1) Zr(1) 145.99(18) no . . .
Cl(1) Mo(1) C(21) C(20) -58.8(4) no . . .
Cl(1) Mo(1) C(21) C(22) 60.7(4) no . . .
Cl(1) Mo(1) C(21) C(26) -178.6(3) no . . .
C(21) Mo(1) Cl(1) Zr(1) 179.0(3) no . . .
Cl(1) Mo(1) C(22) C(21) -142.00(15) no . . .
Cl(1) Mo(1) C(22) C(23) -24.5(4) no . . .
Cl(1) Mo(1) C(22) C(27) 95.2(5) no . . .
C(22) Mo(1) Cl(1) Zr(1) -147.0(2) no . . .
Cl(1) Mo(1) C(23) C(19) -87.8(3) no . . .
Cl(1) Mo(1) C(23) C(22) 158.6(3) no . . .
Cl(1) Mo(1) C(23) C(28) 30.0(5) no . . .
C(23) Mo(1) Cl(1) Zr(1) -161.1(2) no . . .
Cl(2) Mo(1) P(1) C(1) 77.97(8) no . . .
Cl(2) Mo(1) P(1) C(6) -166.31(13) no . . .
Cl(2) Mo(1) P(1) C(8) -42.01(10) no . . .
Cl(2) Mo(1) P(2) C(10) -84.40(8) no . . .
Cl(2) Mo(1) P(2) C(15) 161.10(12) no . . .
Cl(2) Mo(1) P(2) C(17) 22.92(11) no . . .
Cl(2) Mo(1) C(19) C(20) 2.3(5) no . . .
Cl(2) Mo(1) C(19) C(23) -112.2(3) no . . .
Cl(2) Mo(1) C(19) C(24) 129.9(5) no . . .
Cl(2) Mo(1) C(20) C(19) -178.4(2) no . . .
Cl(2) Mo(1) C(20) C(21) -61.9(3) no . . .
Cl(2) Mo(1) C(20) C(25) 59.9(5) no . . .
Cl(2) Mo(1) C(21) C(20) 119.3(3) no . . .
Cl(2) Mo(1) C(21) C(22) -121.2(3) no . . .
Cl(2) Mo(1) C(21) C(26) -0.5(5) no . . .
Cl(2) Mo(1) C(22) C(21) 60.3(3) no . . .
Cl(2) Mo(1) C(22) C(23) 177.8(3) no . . .
Cl(2) Mo(1) C(22) C(27) -62.5(6) no . . .
Cl(2) Mo(1) C(23) C(19) 110.5(3) no . . .
Cl(2) Mo(1) C(23) C(22) -3.2(5) no . . .
Cl(2) Mo(1) C(23) C(28) -131.7(4) no . . .
P(1) Mo(1) P(2) C(10) -21.27(12) no . . .
P(1) Mo(1) P(2) C(15) -135.76(9) no . . .
P(1) Mo(1) P(2) C(17) 86.05(14) no . . .
P(2) Mo(1) P(1) C(1) 14.57(11) no . . .
P(2) Mo(1) P(1) C(6) 130.28(10) no . . .
P(2) Mo(1) P(1) C(8) -105.42(12) no . . .
P(1) Mo(1) C(19) C(20) -74.0(3) no . . .
P(1) Mo(1) C(19) C(23) 171.4(3) no . . .
P(1) Mo(1) C(19) C(24) 53.6(6) no . . .
C(19) Mo(1) P(1) C(1) -144.87(19) no . . .
C(19) Mo(1) P(1) C(6) -29.2(2) no . . .
C(19) Mo(1) P(1) C(8) 95.1(2) no . . .
P(1) Mo(1) C(20) C(19) 104.8(3) no . . .
P(1) Mo(1) C(20) C(21) -138.7(2) no . . .
P(1) Mo(1) C(20) C(25) -16.9(5) no . . .
C(20) Mo(1) P(1) C(1) -179.59(15) no . . .
C(20) Mo(1) P(1) C(6) -63.88(17) no . . .
C(20) Mo(1) P(1) C(8) 60.43(16) no . . .
P(1) Mo(1) C(21) C(20) 43.8(3) no . . .
P(1) Mo(1) C(21) C(22) 163.40(17) no . . .
P(1) Mo(1) C(21) C(26) -76.0(6) no . . .
C(21) Mo(1) P(1) C(1) 157.25(14) no . . .
C(21) Mo(1) P(1) C(6) -87.03(17) no . . .
C(21) Mo(1) P(1) C(8) 37.27(17) no . . .
P(1) Mo(1) C(22) C(21) -25.5(4) no . . .
P(1) Mo(1) C(22) C(23) 92.0(4) no . . .
P(1) Mo(1) C(22) C(27) -148.3(5) no . . .
C(22) Mo(1) P(1) C(1) 172.1(2) no . . .
C(22) Mo(1) P(1) C(6) -72.2(3) no . . .
C(22) Mo(1) P(1) C(8) 52.1(3) no . . .
P(1) Mo(1) C(23) C(19) -11.2(4) no . . .
P(1) Mo(1) C(23) C(22) -124.9(2) no . . .
P(1) Mo(1) C(23) C(28) 106.6(5) no . . .
C(23) Mo(1) P(1) C(1) -138.1(3) no . . .
C(23) Mo(1) P(1) C(6) -22.3(3) no . . .
C(23) Mo(1) P(1) C(8) 102.0(3) no . . .
P(2) Mo(1) C(19) C(20) 126.1(3) no . . .
P(2) Mo(1) C(19) C(23) 11.6(4) no . . .
P(2) Mo(1) C(19) C(24) -106.2(5) no . . .
C(19) Mo(1) P(2) C(10) 131.0(3) no . . .
C(19) Mo(1) P(2) C(15) 16.5(3) no . . .
C(19) Mo(1) P(2) C(17) -121.6(3) no . . .
P(2) Mo(1) C(20) C(19) -92.5(3) no . . .
P(2) Mo(1) C(20) C(21) 24.0(4) no . . .
P(2) Mo(1) C(20) C(25) 145.8(4) no . . .
C(20) Mo(1) P(2) C(10) -177.8(3) no . . .
C(20) Mo(1) P(2) C(15) 67.7(3) no . . .
C(20) Mo(1) P(2) C(17) -70.5(3) no . . .
P(2) Mo(1) C(21) C(20) -164.70(17) no . . .
P(2) Mo(1) C(21) C(22) -45.2(3) no . . .
P(2) Mo(1) C(21) C(26) 75.5(6) no . . .
C(21) Mo(1) P(2) C(10) -163.69(15) no . . .
C(21) Mo(1) P(2) C(15) 81.81(17) no . . .
C(21) Mo(1) P(2) C(17) -56.37(17) no . . .
P(2) Mo(1) C(22) C(21) 138.0(3) no . . .
P(2) Mo(1) C(22) C(23) -104.5(3) no . . .
P(2) Mo(1) C(22) C(27) 15.2(5) no . . .
C(22) Mo(1) P(2) C(10) 172.69(16) no . . .
C(22) Mo(1) P(2) C(15) 58.19(17) no . . .
C(22) Mo(1) P(2) C(17) -79.99(17) no . . .
P(2) Mo(1) C(23) C(19) -171.3(3) no . . .
P(2) Mo(1) C(23) C(22) 75.1(3) no . . .
P(2) Mo(1) C(23) C(28) -53.4(5) no . . .
C(23) Mo(1) P(2) C(10) 138.08(18) no . . .
C(23) Mo(1) P(2) C(15) 23.6(2) no . . .
C(23) Mo(1) P(2) C(17) -114.6(2) no . . .
C(19) Mo(1) C(20) C(19) 0.0(3) no . . .
C(19) Mo(1) C(20) C(21) 116.5(5) no . . .
C(19) Mo(1) C(20) C(25) -121.7(7) no . . .
C(20) Mo(1) C(19) C(20) 0.0(3) no . . .
C(20) Mo(1) C(19) C(23) -114.5(5) no . . .
C(20) Mo(1) C(19) C(24) 127.6(8) no . . .
C(19) Mo(1) C(21) C(20) -38.1(3) no . . .
C(19) Mo(1) C(21) C(22) 81.5(3) no . . .
C(19) Mo(1) C(21) C(26) -157.9(7) no . . .
C(21) Mo(1) C(19) C(20) 36.2(3) no . . .
C(21) Mo(1) C(19) C(23) -78.3(3) no . . .
C(21) Mo(1) C(19) C(24) 163.9(7) no . . .
C(19) Mo(1) C(22) C(21) -77.4(4) no . . .
C(19) Mo(1) C(22) C(23) 40.0(3) no . . .
C(19) Mo(1) C(22) C(27) 159.8(7) no . . .
C(22) Mo(1) C(19) C(20) 76.3(3) no . . .
C(22) Mo(1) C(19) C(23) -38.3(3) no . . .
C(22) Mo(1) C(19) C(24) -156.1(7) no . . .
C(19) Mo(1) C(23) C(19) -0.0(3) no . . .
C(19) Mo(1) C(23) C(22) -113.7(6) no . . .
C(19) Mo(1) C(23) C(28) 117.8(7) no . . .
C(23) Mo(1) C(19) C(20) 114.5(5) no . . .
C(23) Mo(1) C(19) C(23) 0.0(3) no . . .
C(23) Mo(1) C(19) C(24) -117.8(7) no . . .
C(20) Mo(1) C(21) C(20) 0.0(3) no . . .
C(20) Mo(1) C(21) C(22) 119.5(4) no . . .
C(20) Mo(1) C(21) C(26) -119.8(7) no . . .
C(21) Mo(1) C(20) C(19) -116.5(5) no . . .
C(21) Mo(1) C(20) C(21) -0.0(3) no . . .
C(21) Mo(1) C(20) C(25) 121.8(6) no . . .
C(20) Mo(1) C(22) C(21) -35.2(3) no . . .
C(20) Mo(1) C(22) C(23) 82.3(3) no . . .
C(20) Mo(1) C(22) C(27) -158.0(6) no . . .
C(22) Mo(1) C(20) C(19) -81.3(3) no . . .
C(22) Mo(1) C(20) C(21) 35.2(3) no . . .
C(22) Mo(1) C(20) C(25) 157.0(6) no . . .
C(20) Mo(1) C(23) C(19) 38.0(3) no . . .
C(20) Mo(1) C(23) C(22) -75.7(4) no . . .
C(20) Mo(1) C(23) C(28) 155.8(6) no . . .
C(23) Mo(1) C(20) C(19) -39.5(3) no . . .
C(23) Mo(1) C(20) C(21) 77.0(3) no . . .
C(23) Mo(1) C(20) C(25) -161.2(6) no . . .
C(21) Mo(1) C(22) C(21) -0.0(3) no . . .
C(21) Mo(1) C(22) C(23) 117.5(5) no . . .
C(21) Mo(1) C(22) C(27) -122.8(7) no . . .
C(22) Mo(1) C(21) C(20) -119.5(4) no . . .
C(22) Mo(1) C(21) C(22) -0.0(3) no . . .
C(22) Mo(1) C(21) C(26) 120.6(7) no . . .
C(21) Mo(1) C(23) C(19) 77.9(4) no . . .
C(21) Mo(1) C(23) C(22) -35.7(3) no . . .
C(21) Mo(1) C(23) C(28) -164.2(6) no . . .
C(23) Mo(1) C(21) C(20) -82.2(3) no . . .
C(23) Mo(1) C(21) C(22) 37.4(3) no . . .
C(23) Mo(1) C(21) C(26) 158.0(7) no . . .
C(22) Mo(1) C(23) C(19) 113.7(6) no . . .
C(22) Mo(1) C(23) C(22) -0.0(4) no . . .
C(22) Mo(1) C(23) C(28) -128.5(8) no . . .
C(23) Mo(1) C(22) C(21) -117.5(6) no . . .
C(23) Mo(1) C(22) C(23) -0.0(4) no . . .
C(23) Mo(1) C(22) C(27) 119.7(8) no . . .
Cl(1) Zr(1) C(1) P(1) 30.5(2) no . . .
Cl(1) Zr(1) C(1) C(2) -92.7(2) no . . .
Cl(1) Zr(1) C(1) C(5) 153.9(3) no . . .
C(1) Zr(1) Cl(1) Mo(1) -63.32(15) no . . .
Cl(1) Zr(1) C(2) C(1) 88.0(3) no . . .
Cl(1) Zr(1) C(2) C(3) -157.2(3) no . . .
C(2) Zr(1) Cl(1) Mo(1) -96.45(17) no . . .
Cl(1) Zr(1) C(3) C(2) 27.0(4) no . . .
Cl(1) Zr(1) C(3) C(4) 143.2(3) no . . .
C(3) Zr(1) Cl(1) Mo(1) -110.5(3) no . . .
Cl(1) Zr(1) C(4) C(3) -59.0(5) no . . .
Cl(1) Zr(1) C(4) C(5) 56.7(4) no . . .
C(4) Zr(1) Cl(1) Mo(1) -78.7(3) no . . .
Cl(1) Zr(1) C(5) C(1) -30.5(4) no . . .
Cl(1) Zr(1) C(5) C(4) -144.92(19) no . . .
C(5) Zr(1) Cl(1) Mo(1) -47.24(18) no . . .
Cl(1) Zr(1) C(10) P(2) -37.8(3) no . . .
Cl(1) Zr(1) C(10) C(11) 86.0(3) no . . .
Cl(1) Zr(1) C(10) C(14) -160.8(3) no . . .
C(10) Zr(1) Cl(1) Mo(1) 65.97(18) no . . .
Cl(1) Zr(1) C(11) C(10) -92.8(3) no . . .
Cl(1) Zr(1) C(11) C(12) 152.2(2) no . . .
C(11) Zr(1) Cl(1) Mo(1) 99.14(16) no . . .
Cl(1) Zr(1) C(12) C(11) -31.1(3) no . . .
Cl(1) Zr(1) C(12) C(13) -147.3(2) no . . .
C(12) Zr(1) Cl(1) Mo(1) 115.42(19) no . . .
Cl(1) Zr(1) C(13) C(12) 49.9(5) no . . .
Cl(1) Zr(1) C(13) C(14) -65.6(4) no . . .
C(13) Zr(1) Cl(1) Mo(1) 88.6(3) no . . .
Cl(1) Zr(1) C(14) C(10) 22.4(4) no . . .
Cl(1) Zr(1) C(14) C(13) 137.73(18) no . . .
C(14) Zr(1) Cl(1) Mo(1) 53.8(3) no . . .
Cl(1) Zr(1) C(29) C(30) -57.1(5) no . . .
C(29) Zr(1) Cl(1) Mo(1) -175.7(2) no . . .
C(1) Zr(1) C(2) C(1) -0.0(3) no . . .
C(1) Zr(1) C(2) C(3) 114.8(4) no . . .
C(2) Zr(1) C(1) P(1) 123.1(5) no . . .
C(2) Zr(1) C(1) C(2) 0.0(3) no . . .
C(2) Zr(1) C(1) C(5) -113.4(5) no . . .
C(1) Zr(1) C(3) C(2) -37.7(3) no . . .
C(1) Zr(1) C(3) C(4) 78.5(4) no . . .
C(3) Zr(1) C(1) P(1) 159.9(4) no . . .
C(3) Zr(1) C(1) C(2) 36.8(3) no . . .
C(3) Zr(1) C(1) C(5) -76.6(3) no . . .
C(1) Zr(1) C(4) C(3) -78.0(4) no . . .
C(1) Zr(1) C(4) C(5) 37.7(3) no . . .
C(4) Zr(1) C(1) P(1) -160.7(4) no . . .
C(4) Zr(1) C(1) C(2) 76.1(3) no . . .
C(4) Zr(1) C(1) C(5) -37.3(3) no . . .
C(1) Zr(1) C(5) C(1) -0.0(3) no . . .
C(1) Zr(1) C(5) C(4) -114.4(5) no . . .
C(5) Zr(1) C(1) P(1) -123.4(5) no . . .
C(5) Zr(1) C(1) C(2) 113.4(5) no . . .
C(5) Zr(1) C(1) C(5) -0.0(3) no . . .
C(1) Zr(1) C(10) P(2) 52.0(4) no . . .
C(1) Zr(1) C(10) C(11) 175.8(2) no . . .
C(1) Zr(1) C(10) C(14) -71.0(4) no . . .
C(10) Zr(1) C(1) P(1) -58.6(4) no . . .
C(10) Zr(1) C(1) C(2) 178.2(2) no . . .
C(10) Zr(1) C(1) C(5) 64.8(4) no . . .
C(1) Zr(1) C(12) C(11) 146.0(4) no . . .
C(1) Zr(1) C(12) C(13) 29.9(7) no . . .
C(12) Zr(1) C(1) P(1) -147.0(4) no . . .
C(12) Zr(1) C(1) C(2) 89.9(5) no . . .
C(12) Zr(1) C(1) C(5) -23.6(7) no . . .
C(1) Zr(1) C(13) C(12) -164.6(3) no . . .
C(1) Zr(1) C(13) C(14) 79.9(4) no . . .
C(13) Zr(1) C(1) P(1) -128.4(3) no . . .
C(13) Zr(1) C(1) C(2) 108.5(3) no . . .
C(13) Zr(1) C(1) C(5) -5.0(4) no . . .
C(1) Zr(1) C(14) C(10) 127.4(3) no . . .
C(1) Zr(1) C(14) C(13) -117.3(3) no . . .
C(14) Zr(1) C(1) P(1) -93.2(3) no . . .
C(14) Zr(1) C(1) C(2) 143.7(3) no . . .
C(14) Zr(1) C(1) C(5) 30.3(4) no . . .
C(1) Zr(1) C(29) C(30) -143.8(5) no . . .
C(29) Zr(1) C(1) P(1) 110.7(3) no . . .
C(29) Zr(1) C(1) C(2) -12.4(3) no . . .
C(29) Zr(1) C(1) C(5) -125.9(3) no . . .
C(2) Zr(1) C(3) C(2) 0.0(3) no . . .
C(2) Zr(1) C(3) C(4) 116.2(6) no . . .
C(3) Zr(1) C(2) C(1) -114.8(4) no . . .
C(3) Zr(1) C(2) C(3) -0.0(3) no . . .
C(2) Zr(1) C(4) C(3) -36.7(3) no . . .
C(2) Zr(1) C(4) C(5) 79.0(4) no . . .
C(4) Zr(1) C(2) C(1) -78.9(3) no . . .
C(4) Zr(1) C(2) C(3) 35.9(3) no . . .
C(2) Zr(1) C(5) C(1) 38.1(3) no . . .
C(2) Zr(1) C(5) C(4) -76.3(4) no . . .
C(5) Zr(1) C(2) C(1) -38.1(3) no . . .
C(5) Zr(1) C(2) C(3) 76.7(3) no . . .
C(2) Zr(1) C(12) C(11) -158.1(2) no . . .
C(2) Zr(1) C(12) C(13) 85.7(4) no . . .
C(12) Zr(1) C(2) C(1) -138.0(3) no . . .
C(12) Zr(1) C(2) C(3) -23.2(4) no . . .
C(2) Zr(1) C(13) C(12) -123.8(3) no . . .
C(2) Zr(1) C(13) C(14) 120.8(3) no . . .
C(13) Zr(1) C(2) C(1) -96.0(4) no . . .
C(13) Zr(1) C(2) C(3) 18.8(4) no . . .
C(2) Zr(1) C(14) C(10) 155.8(3) no . . .
C(2) Zr(1) C(14) C(13) -88.9(5) no . . .
C(14) Zr(1) C(2) C(1) -53.1(5) no . . .
C(14) Zr(1) C(2) C(3) 61.7(5) no . . .
C(2) Zr(1) C(29) C(30) -150.7(5) no . . .
C(29) Zr(1) C(2) C(1) 168.3(3) no . . .
C(29) Zr(1) C(2) C(3) -76.9(3) no . . .
C(3) Zr(1) C(4) C(3) -0.0(4) no . . .
C(3) Zr(1) C(4) C(5) 115.7(6) no . . .
C(4) Zr(1) C(3) C(2) -116.2(7) no . . .
C(4) Zr(1) C(3) C(4) -0.0(4) no . . .
C(3) Zr(1) C(5) C(1) 78.4(4) no . . .
C(3) Zr(1) C(5) C(4) -36.0(3) no . . .
C(5) Zr(1) C(3) C(2) -78.9(4) no . . .
C(5) Zr(1) C(3) C(4) 37.3(3) no . . .
C(3) Zr(1) C(10) P(2) 136.4(5) no . . .
C(3) Zr(1) C(10) C(11) -99.8(5) no . . .
C(3) Zr(1) C(10) C(14) 13.3(7) no . . .
C(10) Zr(1) C(3) C(2) -146.1(4) no . . .
C(10) Zr(1) C(3) C(4) -29.9(8) no . . .
C(3) Zr(1) C(11) C(10) 128.5(3) no . . .
C(3) Zr(1) C(11) C(12) 13.5(4) no . . .
C(11) Zr(1) C(3) C(2) 156.5(3) no . . .
C(11) Zr(1) C(3) C(4) -87.3(5) no . . .
C(3) Zr(1) C(12) C(11) -171.0(3) no . . .
C(3) Zr(1) C(12) C(13) 72.9(4) no . . .
C(12) Zr(1) C(3) C(2) 164.1(3) no . . .
C(12) Zr(1) C(3) C(4) -79.7(4) no . . .
C(3) Zr(1) C(13) C(12) -113.8(3) no . . .
C(3) Zr(1) C(13) C(14) 130.8(3) no . . .
C(13) Zr(1) C(3) C(2) -165.1(3) no . . .
C(13) Zr(1) C(3) C(4) -48.9(4) no . . .
C(3) Zr(1) C(14) C(10) -172.5(3) no . . .
C(3) Zr(1) C(14) C(13) -57.2(4) no . . .
C(14) Zr(1) C(3) C(2) -138.0(3) no . . .
C(14) Zr(1) C(3) C(4) -21.8(5) no . . .
C(3) Zr(1) C(29) C(30) 176.5(6) no . . .
C(29) Zr(1) C(3) C(2) 95.5(3) no . . .
C(29) Zr(1) C(3) C(4) -148.3(5) no . . .
C(4) Zr(1) C(5) C(1) 114.4(5) no . . .
C(4) Zr(1) C(5) C(4) 0.0(3) no . . .
C(5) Zr(1) C(4) C(3) -115.7(6) no . . .
C(5) Zr(1) C(4) C(5) 0.0(3) no . . .
C(4) Zr(1) C(10) P(2) 118.7(3) no . . .
C(4) Zr(1) C(10) C(11) -117.5(3) no . . .
C(4) Zr(1) C(10) C(14) -4.3(5) no . . .
C(10) Zr(1) C(4) C(3) 162.9(3) no . . .
C(10) Zr(1) C(4) C(5) -81.4(4) no . . .
C(4) Zr(1) C(11) C(10) 85.5(4) no . . .
C(4) Zr(1) C(11) C(12) -29.5(4) no . . .
C(11) Zr(1) C(4) C(3) 123.9(4) no . . .
C(11) Zr(1) C(4) C(5) -120.5(4) no . . .
C(4) Zr(1) C(12) C(11) 157.4(3) no . . .
C(4) Zr(1) C(12) C(13) 41.2(4) no . . .
C(12) Zr(1) C(4) C(3) 108.2(4) no . . .
C(12) Zr(1) C(4) C(5) -136.2(3) no . . .
C(4) Zr(1) C(13) C(12) -137.9(4) no . . .
C(4) Zr(1) C(13) C(14) 106.6(3) no . . .
C(13) Zr(1) C(4) C(3) 129.4(4) no . . .
C(13) Zr(1) C(4) C(5) -115.0(3) no . . .
C(4) Zr(1) C(14) C(10) 176.3(4) no . . .
C(4) Zr(1) C(14) C(13) -68.4(3) no . . .
C(14) Zr(1) C(4) C(3) 160.6(4) no . . .
C(14) Zr(1) C(4) C(5) -83.8(3) no . . .
C(4) Zr(1) C(29) C(30) 160.1(5) no . . .
C(29) Zr(1) C(4) C(3) 31.1(4) no . . .
C(29) Zr(1) C(4) C(5) 146.8(3) no . . .
C(5) Zr(1) C(10) P(2) 83.8(3) no . . .
C(5) Zr(1) C(10) C(11) -152.3(3) no . . .
C(5) Zr(1) C(10) C(14) -39.2(4) no . . .
C(10) Zr(1) C(5) C(1) -131.6(3) no . . .
C(10) Zr(1) C(5) C(4) 113.9(3) no . . .
C(5) Zr(1) C(11) C(10) 40.9(5) no . . .
C(5) Zr(1) C(11) C(12) -74.1(5) no . . .
C(11) Zr(1) C(5) C(1) -154.1(3) no . . .
C(11) Zr(1) C(5) C(4) 91.4(4) no . . .
C(5) Zr(1) C(12) C(11) 131.1(3) no . . .
C(5) Zr(1) C(12) C(13) 15.0(4) no . . .
C(12) Zr(1) C(5) C(1) 168.0(3) no . . .
C(12) Zr(1) C(5) C(4) 53.5(4) no . . .
C(5) Zr(1) C(13) C(12) -167.3(3) no . . .
C(5) Zr(1) C(13) C(14) 77.2(3) no . . .
C(13) Zr(1) C(5) C(1) 175.9(3) no . . .
C(13) Zr(1) C(5) C(4) 61.4(3) no . . .
C(5) Zr(1) C(14) C(10) 143.5(4) no . . .
C(5) Zr(1) C(14) C(13) -101.2(3) no . . .
C(14) Zr(1) C(5) C(1) -152.2(4) no . . .
C(14) Zr(1) C(5) C(4) 93.4(3) no . . .
C(5) Zr(1) C(29) C(30) -177.8(4) no . . .
C(29) Zr(1) C(5) C(1) 71.7(4) no . . .
C(29) Zr(1) C(5) C(4) -42.8(5) no . . .
C(10) Zr(1) C(11) C(10) 0.0(3) no . . .
C(10) Zr(1) C(11) C(12) -115.0(4) no . . .
C(11) Zr(1) C(10) P(2) -123.8(5) no . . .
C(11) Zr(1) C(10) C(11) 0.0(3) no . . .
C(11) Zr(1) C(10) C(14) 113.2(6) no . . .
C(10) Zr(1) C(12) C(11) 37.5(3) no . . .
C(10) Zr(1) C(12) C(13) -78.7(3) no . . .
C(12) Zr(1) C(10) P(2) -160.8(4) no . . .
C(12) Zr(1) C(10) C(11) -37.0(3) no . . .
C(12) Zr(1) C(10) C(14) 76.2(4) no . . .
C(10) Zr(1) C(13) C(12) 77.9(3) no . . .
C(10) Zr(1) C(13) C(14) -37.6(3) no . . .
C(13) Zr(1) C(10) P(2) 159.6(4) no . . .
C(13) Zr(1) C(10) C(11) -76.6(4) no . . .
C(13) Zr(1) C(10) C(14) 36.6(3) no . . .
C(10) Zr(1) C(14) C(10) -0.0(4) no . . .
C(10) Zr(1) C(14) C(13) 115.3(6) no . . .
C(14) Zr(1) C(10) P(2) 123.0(6) no . . .
C(14) Zr(1) C(10) C(11) -113.2(6) no . . .
C(14) Zr(1) C(10) C(14) -0.0(4) no . . .
C(10) Zr(1) C(29) C(30) 26.9(6) no . . .
C(29) Zr(1) C(10) P(2) -116.9(3) no . . .
C(29) Zr(1) C(10) C(11) 7.0(4) no . . .
C(29) Zr(1) C(10) C(14) 120.1(3) no . . .
C(11) Zr(1) C(12) C(11) 0.0(3) no . . .
C(11) Zr(1) C(12) C(13) -116.1(5) no . . .
C(12) Zr(1) C(11) C(10) 115.0(4) no . . .
C(12) Zr(1) C(11) C(12) 0.0(3) no . . .
C(11) Zr(1) C(13) C(12) 36.8(3) no . . .
C(11) Zr(1) C(13) C(14) -78.6(4) no . . .
C(13) Zr(1) C(11) C(10) 78.9(3) no . . .
C(13) Zr(1) C(11) C(12) -36.1(3) no . . .
C(11) Zr(1) C(14) C(10) -38.1(3) no . . .
C(11) Zr(1) C(14) C(13) 77.2(4) no . . .
C(14) Zr(1) C(11) C(10) 38.5(3) no . . .
C(14) Zr(1) C(11) C(12) -76.5(3) no . . .
C(11) Zr(1) C(29) C(30) 30.7(5) no . . .
C(29) Zr(1) C(11) C(10) -173.8(3) no . . .
C(29) Zr(1) C(11) C(12) 71.2(3) no . . .
C(12) Zr(1) C(13) C(12) -0.0(3) no . . .
C(12) Zr(1) C(13) C(14) -115.5(6) no . . .
C(13) Zr(1) C(12) C(11) 116.1(6) no . . .
C(13) Zr(1) C(12) C(13) -0.0(4) no . . .
C(12) Zr(1) C(14) C(10) -78.8(4) no . . .
C(12) Zr(1) C(14) C(13) 36.5(3) no . . .
C(14) Zr(1) C(12) C(11) 79.0(3) no . . .
C(14) Zr(1) C(12) C(13) -37.1(3) no . . .
C(12) Zr(1) C(29) C(30) 62.7(5) no . . .
C(29) Zr(1) C(12) C(11) -103.2(3) no . . .
C(29) Zr(1) C(12) C(13) 140.7(4) no . . .
C(13) Zr(1) C(14) C(10) -115.3(6) no . . .
C(13) Zr(1) C(14) C(13) -0.0(3) no . . .
C(14) Zr(1) C(13) C(12) 115.5(5) no . . .
C(14) Zr(1) C(13) C(14) -0.0(3) no . . .
C(13) Zr(1) C(29) C(30) 82.8(5) no . . .
C(29) Zr(1) C(13) C(12) -38.6(4) no . . .
C(29) Zr(1) C(13) C(14) -154.0(3) no . . .
C(14) Zr(1) C(29) C(30) 65.0(6) no . . .
C(29) Zr(1) C(14) C(10) -81.6(4) no . . .
C(29) Zr(1) C(14) C(13) 33.7(4) no . . .
Mo(1) P(1) C(1) Zr(1) 17.9(3) no . . .
Mo(1) P(1) C(1) C(2) 99.5(5) no . . .
Mo(1) P(1) C(1) C(5) -62.0(5) no . . .
Mo(1) P(1) C(6) C(7) 178.3(4) no . . .
Mo(1) P(1) C(8) C(9) 136.3(4) no . . .
C(1) P(1) C(6) C(7) -60.8(6) no . . .
C(6) P(1) C(1) Zr(1) -108.1(3) no . . .
C(6) P(1) C(1) C(2) -26.5(6) no . . .
C(6) P(1) C(1) C(5) 172.0(5) no . . .
C(1) P(1) C(8) C(9) 13.2(6) no . . .
C(8) P(1) C(1) Zr(1) 145.1(3) no . . .
C(8) P(1) C(1) C(2) -133.4(5) no . . .
C(8) P(1) C(1) C(5) 65.1(6) no . . .
C(6) P(1) C(8) C(9) -92.1(5) no . . .
C(8) P(1) C(6) C(7) 47.3(6) no . . .
Mo(1) P(2) C(10) Zr(1) -8.9(3) no . . .
Mo(1) P(2) C(10) C(11) -91.4(6) no . . .
Mo(1) P(2) C(10) C(14) 72.3(5) no . . .
Mo(1) P(2) C(15) C(16) 177.4(4) no . . .
Mo(1) P(2) C(17) C(18) 56.2(8) no . . .
C(10) P(2) C(15) C(16) 56.7(6) no . . .
C(15) P(2) C(10) Zr(1) 115.3(4) no . . .
C(15) P(2) C(10) C(11) 32.9(7) no . . .
C(15) P(2) C(10) C(14) -163.4(6) no . . .
C(10) P(2) C(17) C(18) 173.6(7) no . . .
C(17) P(2) C(10) Zr(1) -138.3(5) no . . .
C(17) P(2) C(10) C(11) 139.3(7) no . . .
C(17) P(2) C(10) C(14) -57.1(7) no . . .
C(15) P(2) C(17) C(18) -85.5(8) no . . .
C(17) P(2) C(15) C(16) -36.8(8) no . . .
Zr(1) C(1) C(2) Zr(1) 0.000(14) no . . .
Zr(1) C(1) C(2) C(3) -67.5(4) no . . .
Zr(1) C(1) C(5) Zr(1) 0.000(16) no . . .
Zr(1) C(1) C(5) C(4) 69.3(4) no . . .
P(1) C(1) C(2) Zr(1) -98.7(5) no . . .
P(1) C(1) C(2) C(3) -166.2(5) no . . .
P(1) C(1) C(5) Zr(1) 97.7(5) no . . .
P(1) C(1) C(5) C(4) 167.0(4) no . . .
C(2) C(1) C(5) Zr(1) -66.6(5) no . . .
C(2) C(1) C(5) C(4) 2.6(7) no . . .
C(5) C(1) C(2) Zr(1) 65.7(5) no . . .
C(5) C(1) C(2) C(3) -1.7(7) no . . .
Zr(1) C(2) C(3) Zr(1) 0.000(14) no . . .
Zr(1) C(2) C(3) C(4) -65.9(4) no . . .
C(1) C(2) C(3) Zr(1) 66.1(5) no . . .
C(1) C(2) C(3) C(4) 0.2(7) no . . .
Zr(1) C(3) C(4) Zr(1) 0.00(2) no . . .
Zr(1) C(3) C(4) C(5) -63.3(4) no . . .
C(2) C(3) C(4) Zr(1) 64.7(5) no . . .
C(2) C(3) C(4) C(5) 1.4(8) no . . .
Zr(1) C(4) C(5) Zr(1) 0.000(15) no . . .
Zr(1) C(4) C(5) C(1) -67.9(4) no . . .
C(3) C(4) C(5) Zr(1) 65.4(5) no . . .
C(3) C(4) C(5) C(1) -2.5(8) no . . .
Zr(1) C(10) C(11) Zr(1) 0.000(15) no . . .
Zr(1) C(10) C(11) C(12) 67.9(5) no . . .
Zr(1) C(10) C(14) Zr(1) -0.000(19) no . . .
Zr(1) C(10) C(14) C(13) -68.5(5) no . . .
P(2) C(10) C(11) Zr(1) 99.7(6) no . . .
P(2) C(10) C(11) C(12) 167.6(5) no . . .
P(2) C(10) C(14) Zr(1) -99.2(6) no . . .
P(2) C(10) C(14) C(13) -167.7(5) no . . .
C(11) C(10) C(14) Zr(1) 67.1(5) no . . .
C(11) C(10) C(14) C(13) -1.3(8) no . . .
C(14) C(10) C(11) Zr(1) -66.5(5) no . . .
C(14) C(10) C(11) C(12) 1.4(8) no . . .
Zr(1) C(11) C(12) Zr(1) 0.000(13) no . . .
Zr(1) C(11) C(12) C(13) 65.0(5) no . . .
C(10) C(11) C(12) Zr(1) -65.9(6) no . . .
C(10) C(11) C(12) C(13) -1.0(9) no . . .
Zr(1) C(12) C(13) Zr(1) 0.000(15) no . . .
Zr(1) C(12) C(13) C(14) 63.7(5) no . . .
C(11) C(12) C(13) Zr(1) -63.6(6) no . . .
C(11) C(12) C(13) C(14) 0.1(9) no . . .
Zr(1) C(13) C(14) Zr(1) 0.000(13) no . . .
Zr(1) C(13) C(14) C(10) 66.5(4) no . . .
C(12) C(13) C(14) Zr(1) -65.8(6) no . . .
C(12) C(13) C(14) C(10) 0.8(9) no . . .
Mo(1) C(19) C(20) Mo(1) 0.000(16) no . . .
Mo(1) C(19) C(20) C(21) -64.4(4) no . . .
Mo(1) C(19) C(20) C(25) 131.5(6) no . . .
Mo(1) C(19) C(23) Mo(1) -0.000(17) no . . .
Mo(1) C(19) C(23) C(22) 67.8(4) no . . .
Mo(1) C(19) C(23) C(28) -127.6(6) no . . .
C(20) C(19) C(23) Mo(1) -68.4(5) no . . .
C(20) C(19) C(23) C(22) -0.6(7) no . . .
C(20) C(19) C(23) C(28) 163.9(6) no . . .
C(23) C(19) C(20) Mo(1) 65.4(5) no . . .
C(23) C(19) C(20) C(21) 1.0(7) no . . .
C(23) C(19) C(20) C(25) -163.1(6) no . . .
C(24) C(19) C(20) Mo(1) -130.8(7) no . . .
C(24) C(19) C(20) C(21) 164.8(6) no . . .
C(24) C(19) C(20) C(25) 0.7(11) no . . .
C(24) C(19) C(23) Mo(1) 126.9(7) no . . .
C(24) C(19) C(23) C(22) -165.3(6) no . . .
C(24) C(19) C(23) C(28) -0.8(11) no . . .
Mo(1) C(20) C(21) Mo(1) -0.000(13) no . . .
Mo(1) C(20) C(21) C(22) -61.0(5) no . . .
Mo(1) C(20) C(21) C(26) 122.8(6) no . . .
C(19) C(20) C(21) Mo(1) 60.0(5) no . . .
C(19) C(20) C(21) C(22) -1.0(8) no . . .
C(19) C(20) C(21) C(26) -177.2(6) no . . .
C(25) C(20) C(21) Mo(1) -135.0(6) no . . .
C(25) C(20) C(21) C(22) 164.0(6) no . . .
C(25) C(20) C(21) C(26) -12.2(10) no . . .
Mo(1) C(21) C(22) Mo(1) 0.000(13) no . . .
Mo(1) C(21) C(22) C(23) -60.5(4) no . . .
Mo(1) C(21) C(22) C(27) 138.2(6) no . . .
C(20) C(21) C(22) Mo(1) 61.2(5) no . . .
C(20) C(21) C(22) C(23) 0.6(8) no . . .
C(20) C(21) C(22) C(27) -160.6(6) no . . .
C(26) C(21) C(22) Mo(1) -122.6(7) no . . .
C(26) C(21) C(22) C(23) 176.8(6) no . . .
C(26) C(21) C(22) C(27) 15.6(10) no . . .
Mo(1) C(22) C(23) Mo(1) 0.000(18) no . . .
Mo(1) C(22) C(23) C(19) -64.5(4) no . . .
Mo(1) C(22) C(23) C(28) 131.9(7) no . . .
C(21) C(22) C(23) Mo(1) 64.5(5) no . . .
C(21) C(22) C(23) C(19) 0.0(7) no . . .
C(21) C(22) C(23) C(28) -163.6(6) no . . .
C(27) C(22) C(23) Mo(1) -134.9(8) no . . .
C(27) C(22) C(23) C(19) 160.7(7) no . . .
C(27) C(22) C(23) C(28) -2.9(12) no . . .
Zr(1) C(29) C(30) C(31) 172.9(4) no . . .
C(29) C(30) C(31) C(32) -175.0(6) no . . .
C(33) C(33) C(34) C(35) 176.6 no 2_676 . .
C(34) C(33) C(33) C(34) -180.0 no . 2_676 2_676
