#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:05:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179714 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/16/7001600.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_7001600
loop_
_publ_author_name
'Ciclosi, Marco'
'Lloret, Julio'
'Estevan, Francisco'
'Sanaú, Mercedes'
'Pérez-Prieto, Julia'
_publ_section_title
;
 Intramolecular apical Metal--H--Csp3 interaction in molybdenum and
 silver complexes
;
_journal_issue                   26
_journal_name_full               'Dalton Transactions'
_journal_page_first              5077
_journal_page_last               5082
_journal_paper_doi               10.1039/b823267a
_journal_year                    2009
_chemical_formula_moiety         'C67 H52 Mo N3 O3 P3, 3(C H Cl3),2(H2 O)'
_chemical_formula_sum            'C70 H59 Cl9 Mo N3 O5 P3'
_chemical_formula_weight         1530.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.8130(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.4920(5)
_cell_length_b                   13.8590(4)
_cell_length_c                   25.6340(10)
_cell_measurement_reflns_used    14486
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     7088.6(4)
_computing_cell_refinement       'Denzo & Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect(Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo & Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22437
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.687
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     827
_refine_ls_number_reflns         12063
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1157
_refine_ls_R_factor_gt           0.0777
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1502P)²+14.8778P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2175
_refine_ls_wR_factor_ref         0.2565
_reflns_number_gt                8354
_reflns_number_total             12063
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b823267a.txt
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7001600
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.11662(2) 0.58774(3) 0.17367(2) 0.03299(19) Uani 1 1 d . . .
P1 P 0.19332(8) 0.48994(11) 0.13481(6) 0.0339(4) Uani 1 1 d . . .
N1 N 0.2787(2) 0.4752(3) 0.1727(2) 0.0368(11) Uani 1 1 d . . .
O1 O 0.0155(3) 0.6364(5) 0.0529(2) 0.0748(16) Uani 1 1 d . . .
C1 C 0.2880(3) 0.6157(4) 0.2353(3) 0.0327(13) Uani 1 1 d . . .
H1 H 0.243(3) 0.609(3) 0.219(2) 0.013(12) Uiso 1 1 d . . .
C01 C 0.0562(4) 0.6192(5) 0.0961(3) 0.0491(16) Uani 1 1 d . . .
Cl1 Cl 0.5465(3) 0.5062(4) 0.2060(3) 0.195(2) Uani 1 1 d . . .
N2 N 0.2541(3) 0.5947(4) 0.3182(2) 0.0381(12) Uani 1 1 d . . .
O2 O 0.0229(3) 0.4090(4) 0.1501(3) 0.0724(16) Uani 1 1 d . . .
C2 C 0.0438(4) 0.6424(5) 0.1940(3) 0.0493(16) Uani 1 1 d . . .
P2 P 0.17691(8) 0.54533(11) 0.27929(7) 0.0352(4) Uani 1 1 d . . .
Cl2 Cl 0.9201(3) 0.8260(4) 0.07726(19) 0.1709(19) Uani 1 1 d . . .
N3 N 0.2538(3) 0.7761(3) 0.1924(2) 0.0389(12) Uani 1 1 d . . .
C3 C 0.0618(3) 0.4715(5) 0.1611(3) 0.0473(16) Uani 1 1 d . . .
O3 O -0.0045(3) 0.6656(5) 0.2006(3) 0.0764(17) Uani 1 1 d . . .
P3 P 0.16875(8) 0.75891(11) 0.17878(7) 0.0367(4) Uani 1 1 d . . .
Cl3 Cl 0.5617(3) 0.6829(5) 0.1501(3) 0.222(3) Uani 1 1 d . . .
Cl4 Cl 0.6689(4) 0.5634(8) 0.2030(6) 0.386(8) Uani 1 1 d . . .
C4 C 0.6075(10) 0.6217(16) 0.2152(9) 0.201(10) Uani 1 1 d . . .
H4 H 0.6196 0.6590 0.2500 0.242 Uiso 1 1 calc R . .
Cl5 Cl 0.8243(4) 0.6759(3) 0.0471(2) 0.208(3) Uani 1 1 d . . .
C5 C 0.8389(12) 0.7981(13) 0.0629(6) 0.189(10) Uani 1 1 d . . .
H5 H 0.8284 0.8124 0.0962 0.226 Uiso 1 1 calc R . .
Cl6 Cl 0.7875(3) 0.8704(5) 0.0068(2) 0.217(3) Uani 1 1 d . . .
C6 C 0.370(3) 0.397(2) 0.0043(19) 0.37(3) Uani 1 1 d . . .
H6 H 0.3308 0.3762 0.0122 0.446 Uiso 1 1 calc R . .
Cl7 Cl 0.3598(7) 0.4635(13) -0.0485(5) 0.446(10) Uani 1 1 d . . .
Cl8 Cl 0.4356(8) 0.3139(13) 0.0145(6) 0.499(12) Uani 1 1 d . . .
Cl9 Cl 0.4346(6) 0.4931(15) 0.0561(7) 0.523(15) Uani 1 1 d . . .
O10 O 0.4756(8) 0.0393(16) 0.0481(5) 0.247(9) Uani 1 1 d . . .
C11 C 0.1942(3) 0.5285(4) 0.0666(3) 0.0417(15) Uani 1 1 d . . .
C12 C 0.2533(4) 0.5603(5) 0.0620(3) 0.0561(18) Uani 1 1 d . . .
H12 H 0.2933 0.5559 0.0929 0.067 Uiso 1 1 calc R . .
C13 C 0.2534(5) 0.5985(6) 0.0122(4) 0.075(3) Uani 1 1 d . . .
H13 H 0.2932 0.6206 0.0099 0.090 Uiso 1 1 calc R . .
C14 C 0.1952(6) 0.6036(7) -0.0336(4) 0.089(3) Uani 1 1 d . . .
H14 H 0.1954 0.6285 -0.0673 0.106 Uiso 1 1 calc R . .
C15 C 0.1363(5) 0.5723(6) -0.0303(3) 0.070(2) Uani 1 1 d . . .
H15 H 0.0968 0.5757 -0.0617 0.084 Uiso 1 1 calc R . .
C16 C 0.1354(4) 0.5358(5) 0.0196(3) 0.0524(17) Uani 1 1 d . . .
H16 H 0.0951 0.5161 0.0217 0.063 Uiso 1 1 calc R . .
O20 O 0.4580(11) 0.427(2) 0.4567(9) 0.378(16) Uani 1 1 d . . .
C21 C 0.1671(3) 0.3635(4) 0.1264(3) 0.0415(15) Uani 1 1 d . . .
C22 C 0.1923(4) 0.3026(5) 0.1727(3) 0.0525(17) Uani 1 1 d . . .
H22 H 0.2228 0.3260 0.2065 0.063 Uiso 1 1 calc R . .
C23 C 0.1720(5) 0.2073(5) 0.1686(4) 0.068(2) Uani 1 1 d . . .
H23 H 0.1892 0.1669 0.1996 0.082 Uiso 1 1 calc R . .
C24 C 0.1267(5) 0.1715(6) 0.1189(4) 0.072(2) Uani 1 1 d . . .
H24 H 0.1141 0.1070 0.1164 0.086 Uiso 1 1 calc R . .
C25 C 0.1005(5) 0.2296(6) 0.0741(4) 0.078(3) Uani 1 1 d . . .
H25 H 0.0691 0.2052 0.0409 0.093 Uiso 1 1 calc R . .
C26 C 0.1201(4) 0.3271(5) 0.0767(3) 0.0581(19) Uani 1 1 d . . .
H26 H 0.1018 0.3669 0.0455 0.070 Uiso 1 1 calc R . .
C31 C 0.3157(3) 0.5212(4) 0.2247(2) 0.0344(13) Uani 1 1 d . . .
C32 C 0.3187(3) 0.3995(4) 0.1664(3) 0.0435(15) Uani 1 1 d . . .
C33 C 0.3076(4) 0.3353(5) 0.1217(3) 0.0531(17) Uani 1 1 d . . .
H33 H 0.2686 0.3376 0.0897 0.064 Uiso 1 1 calc R . .
C34 C 0.3568(4) 0.2692(6) 0.1271(4) 0.066(2) Uani 1 1 d . . .
H34 H 0.3507 0.2253 0.0982 0.080 Uiso 1 1 calc R . .
C35 C 0.4145(4) 0.2653(6) 0.1733(4) 0.074(3) Uani 1 1 d . . .
H35 H 0.4464 0.2188 0.1750 0.089 Uiso 1 1 calc R . .
C36 C 0.4272(4) 0.3287(6) 0.2179(4) 0.065(2) Uani 1 1 d . . .
H36 H 0.4672 0.3269 0.2488 0.079 Uiso 1 1 calc R . .
C37 C 0.3765(4) 0.3959(5) 0.2142(3) 0.0496(17) Uani 1 1 d . . .
C38 C 0.3736(3) 0.4733(5) 0.2508(3) 0.0454(16) Uani 1 1 d . . .
C39 C 0.4291(4) 0.4961(7) 0.3057(4) 0.076(3) Uani 1 1 d . . .
H39A H 0.4179 0.5532 0.3215 0.114 Uiso 1 1 calc R . .
H39B H 0.4700 0.5065 0.2995 0.114 Uiso 1 1 calc R . .
H39C H 0.4348 0.4431 0.3312 0.114 Uiso 1 1 calc R . .
C41 C 0.1916(3) 0.4187(4) 0.2997(3) 0.0400(14) Uani 1 1 d . . .
C42 C 0.1396(4) 0.3506(5) 0.2799(3) 0.0517(17) Uani 1 1 d . . .
H42 H 0.0967 0.3707 0.2573 0.062 Uiso 1 1 calc R . .
C43 C 0.1511(5) 0.2548(5) 0.2935(4) 0.067(2) Uani 1 1 d . . .
H43 H 0.1158 0.2111 0.2810 0.080 Uiso 1 1 calc R . .
C44 C 0.2136(5) 0.2232(6) 0.3251(5) 0.080(3) Uani 1 1 d . . .
H44 H 0.2210 0.1579 0.3334 0.096 Uiso 1 1 calc R . .
C45 C 0.2666(5) 0.2882(6) 0.3450(4) 0.081(3) Uani 1 1 d . . .
H45 H 0.3093 0.2668 0.3670 0.098 Uiso 1 1 calc R . .
C46 C 0.2550(4) 0.3854(5) 0.3316(3) 0.0552(18) Uani 1 1 d . . .
H46 H 0.2905 0.4287 0.3442 0.066 Uiso 1 1 calc R . .
C51 C 0.1242(3) 0.5909(4) 0.3163(3) 0.0383(14) Uani 1 1 d . . .
C52 C 0.0790(4) 0.5350(5) 0.3296(3) 0.0535(18) Uani 1 1 d . . .
H52 H 0.0784 0.4686 0.3242 0.064 Uiso 1 1 calc R . .
C53 C 0.0352(4) 0.5759(6) 0.3506(3) 0.062(2) Uani 1 1 d . . .
H53 H 0.0056 0.5367 0.3597 0.075 Uiso 1 1 calc R . .
C54 C 0.0342(4) 0.6730(6) 0.3583(3) 0.061(2) Uani 1 1 d . . .
H54 H 0.0030 0.7004 0.3711 0.073 Uiso 1 1 calc R . .
C55 C 0.0797(4) 0.7294(5) 0.3472(3) 0.0555(18) Uani 1 1 d . . .
H55 H 0.0804 0.7954 0.3537 0.067 Uiso 1 1 calc R . .
C56 C 0.1250(4) 0.6903(5) 0.3262(3) 0.0466(16) Uani 1 1 d . . .
H56 H 0.1557 0.7298 0.3188 0.056 Uiso 1 1 calc R . .
C61 C 0.2983(3) 0.6387(4) 0.2957(2) 0.0355(13) Uani 1 1 d . . .
C62 C 0.2785(3) 0.6187(5) 0.3758(3) 0.0435(15) Uani 1 1 d . . .
C63 C 0.2575(4) 0.5878(6) 0.4183(3) 0.060(2) Uani 1 1 d . . .
H63 H 0.2222 0.5446 0.4114 0.072 Uiso 1 1 calc R . .
C64 C 0.2922(5) 0.6250(7) 0.4717(3) 0.073(2) Uani 1 1 d . . .
H64 H 0.2785 0.6072 0.5007 0.087 Uiso 1 1 calc R . .
C65 C 0.3449(5) 0.6858(7) 0.4835(3) 0.073(2) Uani 1 1 d . . .
H65 H 0.3670 0.7078 0.5201 0.088 Uiso 1 1 calc R . .
C66 C 0.3659(4) 0.7150(6) 0.4411(3) 0.067(2) Uani 1 1 d . . .
H66 H 0.4017 0.7575 0.4490 0.081 Uiso 1 1 calc R . .
C67 C 0.3332(3) 0.6806(5) 0.3863(3) 0.0491(16) Uani 1 1 d . . .
C68 C 0.3456(3) 0.6924(5) 0.3359(3) 0.0451(15) Uani 1 1 d . . .
C69 C 0.4017(4) 0.7516(7) 0.3306(4) 0.072(2) Uani 1 1 d . . .
H69A H 0.4436 0.7308 0.3582 0.109 Uiso 1 1 calc R . .
H69B H 0.3946 0.8184 0.3364 0.109 Uiso 1 1 calc R . .
H69C H 0.4025 0.7432 0.2937 0.109 Uiso 1 1 calc R . .
C71 C 0.1565(3) 0.8448(4) 0.2287(3) 0.0430(15) Uani 1 1 d . . .
C72 C 0.0924(4) 0.8693(5) 0.2260(3) 0.0515(17) Uani 1 1 d . . .
H72 H 0.0552 0.8435 0.1976 0.062 Uiso 1 1 calc R . .
C73 C 0.0829(5) 0.9304(5) 0.2644(4) 0.062(2) Uani 1 1 d . . .
H73 H 0.0397 0.9473 0.2612 0.074 Uiso 1 1 calc R . .
C74 C 0.1367(5) 0.9664(6) 0.3073(4) 0.068(2) Uani 1 1 d . . .
H74 H 0.1302 1.0079 0.3334 0.082 Uiso 1 1 calc R . .
C75 C 0.2005(5) 0.9420(6) 0.3123(4) 0.073(2) Uani 1 1 d . . .
H75 H 0.2371 0.9660 0.3421 0.088 Uiso 1 1 calc R . .
C76 C 0.2104(4) 0.8810(5) 0.2727(3) 0.0528(17) Uani 1 1 d . . .
H76 H 0.2537 0.8647 0.2760 0.063 Uiso 1 1 calc R . .
C81 C 0.1331(3) 0.8176(4) 0.1102(3) 0.0449(15) Uani 1 1 d . . .
C82 C 0.0911(5) 0.8953(6) 0.0993(3) 0.077(3) Uani 1 1 d . . .
H82 H 0.0777 0.9190 0.1274 0.093 Uiso 1 1 calc R . .
C83 C 0.0680(7) 0.9393(8) 0.0471(4) 0.116(5) Uani 1 1 d . . .
H83 H 0.0399 0.9927 0.0402 0.139 Uiso 1 1 calc R . .
C84 C 0.0877(7) 0.9023(7) 0.0051(4) 0.107(4) Uani 1 1 d . . .
H84 H 0.0721 0.9307 -0.0303 0.128 Uiso 1 1 calc R . .
C85 C 0.1294(5) 0.8250(6) 0.0155(4) 0.075(3) Uani 1 1 d . . .
H85 H 0.1420 0.8002 -0.0128 0.090 Uiso 1 1 calc R . .
C86 C 0.1529(4) 0.7838(5) 0.0678(3) 0.0528(18) Uani 1 1 d . . .
H86 H 0.1827 0.7323 0.0751 0.063 Uiso 1 1 calc R . .
C91 C 0.3007(3) 0.6989(4) 0.2035(3) 0.0355(13) Uani 1 1 d . . .
C92 C 0.2801(3) 0.8529(5) 0.1712(3) 0.0482(16) Uani 1 1 d . . .
C93 C 0.2569(4) 0.9474(5) 0.1574(4) 0.060(2) Uani 1 1 d . . .
H93 H 0.2184 0.9691 0.1622 0.073 Uiso 1 1 calc R . .
C94 C 0.2933(5) 1.0066(6) 0.1365(4) 0.081(3) Uani 1 1 d . . .
H94 H 0.2785 1.0693 0.1261 0.098 Uiso 1 1 calc R . .
C95 C 0.3520(5) 0.9755(7) 0.1306(4) 0.078(3) Uani 1 1 d . . .
H95 H 0.3758 1.0179 0.1169 0.094 Uiso 1 1 calc R . .
C96 C 0.3746(4) 0.8846(6) 0.1443(4) 0.063(2) Uani 1 1 d . . .
H96 H 0.4136 0.8646 0.1398 0.076 Uiso 1 1 calc R . .
C97 C 0.3394(3) 0.8205(5) 0.1654(3) 0.0476(16) Uani 1 1 d . . .
C98 C 0.3517(3) 0.7241(5) 0.1865(3) 0.0440(15) Uani 1 1 d . . .
C99 C 0.4123(4) 0.6656(6) 0.1894(4) 0.065(2) Uani 1 1 d . . .
H99A H 0.4513 0.6901 0.2189 0.098 Uiso 1 1 calc R . .
H99B H 0.4184 0.6703 0.1542 0.098 Uiso 1 1 calc R . .
H99C H 0.4056 0.5993 0.1968 0.098 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Mo1 C2 82.6(3) . . ?
C3 Mo1 C01 83.4(3) . . ?
C2 Mo1 C01 83.8(3) . . ?
C3 Mo1 P2 91.3(2) . . ?
C2 Mo1 P2 87.1(2) . . ?
C01 Mo1 P2 170.0(2) . . ?
C3 Mo1 P1 86.3(2) . . ?
C2 Mo1 P1 167.9(2) . . ?
C01 Mo1 P1 90.2(2) . . ?
P2 Mo1 P1 98.02(5) . . ?
C3 Mo1 P3 169.1(2) . . ?
C2 Mo1 P3 90.3(2) . . ?
C01 Mo1 P3 87.6(2) . . ?
P2 Mo1 P3 96.60(5) . . ?
P1 Mo1 P3 99.89(5) . . ?
C3 Mo1 C1 130.2(2) . . ?
C2 Mo1 C1 130.7(2) . . ?
C01 Mo1 C1 128.8(2) . . ?
P2 Mo1 C1 60.88(10) . . ?
P1 Mo1 C1 60.86(10) . . ?
P3 Mo1 C1 60.57(10) . . ?
N1 P1 C21 99.7(3) . . ?
N1 P1 C11 100.6(3) . . ?
C21 P1 C11 106.1(3) . . ?
N1 P1 Mo1 122.29(18) . . ?
C21 P1 Mo1 109.5(2) . . ?
C11 P1 Mo1 116.5(2) . . ?
C32 N1 C31 106.8(5) . . ?
C32 N1 P1 126.0(4) . . ?
C31 N1 P1 125.2(4) . . ?
C91 C1 C31 114.1(5) . . ?
C91 C1 C61 114.1(5) . . ?
C31 C1 C61 116.8(5) . . ?
C91 C1 Mo1 102.5(4) . . ?
C31 C1 Mo1 104.3(3) . . ?
C61 C1 Mo1 102.6(3) . . ?
C91 C1 H1 101(3) . . ?
C31 C1 H1 105(3) . . ?
C61 C1 H1 103(3) . . ?
Mo1 C1 H1 1(3) . . ?
O1 C01 Mo1 172.7(6) . . ?
C62 N2 C61 106.3(5) . . ?
C62 N2 P2 126.9(4) . . ?
C61 N2 P2 125.4(4) . . ?
O3 C2 Mo1 170.7(6) . . ?
N2 P2 C41 100.9(3) . . ?
N2 P2 C51 102.1(3) . . ?
C41 P2 C51 104.9(3) . . ?
N2 P2 Mo1 120.81(18) . . ?
C41 P2 Mo1 118.9(2) . . ?
C51 P2 Mo1 107.2(2) . . ?
C92 N3 C91 106.9(5) . . ?
C92 N3 P3 124.6(4) . . ?
C91 N3 P3 123.2(4) . . ?
O2 C3 Mo1 172.1(6) . . ?
N3 P3 C81 99.5(3) . . ?
N3 P3 C71 100.5(3) . . ?
C81 P3 C71 105.3(3) . . ?
N3 P3 Mo1 122.21(17) . . ?
C81 P3 Mo1 109.8(2) . . ?
C71 P3 Mo1 117.0(2) . . ?
Cl4 C4 Cl3 104.6(10) . . ?
Cl4 C4 Cl1 96.8(12) . . ?
Cl3 C4 Cl1 99.1(12) . . ?
Cl4 C4 H4 117.6 . . ?
Cl3 C4 H4 117.6 . . ?
Cl1 C4 H4 117.6 . . ?
Cl2 C5 Cl5 110.8(14) . . ?
Cl2 C5 Cl6 109.4(9) . . ?
Cl5 C5 Cl6 111.0(10) . . ?
Cl2 C5 H5 108.5 . . ?
Cl5 C5 H5 108.5 . . ?
Cl6 C5 H5 108.5 . . ?
Cl7 C6 Cl8 111.0(15) . . ?
Cl7 C6 Cl9 91(2) . . ?
Cl8 C6 Cl9 91(3) . . ?
Cl7 C6 H6 119.1 . . ?
Cl8 C6 H6 119.1 . . ?
Cl9 C6 H6 119.1 . . ?
C16 C11 C12 118.0(6) . . ?
C16 C11 P1 121.3(5) . . ?
C12 C11 P1 120.4(5) . . ?
C13 C12 C11 121.0(8) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 C13 C12 119.9(9) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.2(8) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C14 C15 C16 120.3(8) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C15 C16 C11 120.6(8) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C26 C21 C22 118.7(6) . . ?
C26 C21 P1 122.8(5) . . ?
C22 C21 P1 118.4(5) . . ?
C23 C22 C21 120.2(7) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 120.7(8) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 C23 120.2(7) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 120.7(8) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C21 C26 C25 119.6(8) . . ?
C21 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C38 C31 N1 109.6(5) . . ?
C38 C31 C1 133.8(6) . . ?
N1 C31 C1 116.0(5) . . ?
C37 C32 C33 121.8(6) . . ?
C37 C32 N1 108.1(6) . . ?
C33 C32 N1 130.1(6) . . ?
C34 C33 C32 116.9(7) . . ?
C34 C33 H33 121.6 . . ?
C32 C33 H33 121.6 . . ?
C35 C34 C33 122.4(8) . . ?
C35 C34 H34 118.8 . . ?
C33 C34 H34 118.8 . . ?
C34 C35 C36 121.9(7) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C37 117.0(8) . . ?
C35 C36 H36 121.5 . . ?
C37 C36 H36 121.5 . . ?
C32 C37 C36 120.0(7) . . ?
C32 C37 C38 108.0(6) . . ?
C36 C37 C38 131.9(7) . . ?
C31 C38 C37 107.3(6) . . ?
C31 C38 C39 128.8(6) . . ?
C37 C38 C39 123.8(6) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C46 C41 C42 117.8(6) . . ?
C46 C41 P2 121.2(5) . . ?
C42 C41 P2 120.8(5) . . ?
C43 C42 C41 120.9(8) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C44 C43 C42 120.7(8) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C43 C44 C45 120.2(8) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C46 C45 C44 119.3(9) . . ?
C46 C45 H45 120.4 . . ?
C44 C45 H45 120.4 . . ?
C41 C46 C45 121.1(8) . . ?
C41 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
C52 C51 C56 118.0(6) . . ?
C52 C51 P2 124.0(5) . . ?
C56 C51 P2 117.6(5) . . ?
C53 C52 C51 121.0(7) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C54 C53 C52 121.1(7) . . ?
C54 C53 H53 119.4 . . ?
C52 C53 H53 119.4 . . ?
C53 C54 C55 119.0(7) . . ?
C53 C54 H54 120.5 . . ?
C55 C54 H54 120.5 . . ?
C54 C55 C56 121.3(7) . . ?
C54 C55 H55 119.3 . . ?
C56 C55 H55 119.3 . . ?
C55 C56 C51 119.5(6) . . ?
C55 C56 H56 120.2 . . ?
C51 C56 H56 120.2 . . ?
C68 C61 N2 110.5(5) . . ?
C68 C61 C1 132.1(6) . . ?
N2 C61 C1 117.3(5) . . ?
C63 C62 C67 122.1(6) . . ?
C63 C62 N2 130.2(6) . . ?
C67 C62 N2 107.6(6) . . ?
C64 C63 C62 116.5(8) . . ?
C64 C63 H63 121.8 . . ?
C62 C63 H63 121.8 . . ?
C65 C64 C63 123.3(8) . . ?
C65 C64 H64 118.3 . . ?
C63 C64 H64 118.3 . . ?
C64 C65 C66 119.7(8) . . ?
C64 C65 H65 120.1 . . ?
C66 C65 H65 120.1 . . ?
C65 C66 C67 120.1(8) . . ?
C65 C66 H66 120.0 . . ?
C67 C66 H66 120.0 . . ?
C62 C67 C66 118.2(7) . . ?
C62 C67 C68 109.0(6) . . ?
C66 C67 C68 132.8(7) . . ?
C61 C68 C67 106.5(6) . . ?
C61 C68 C69 128.6(6) . . ?
C67 C68 C69 124.9(6) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C76 C71 C72 117.9(6) . . ?
C76 C71 P3 120.8(5) . . ?
C72 C71 P3 121.1(5) . . ?
C73 C72 C71 121.5(7) . . ?
C73 C72 H72 119.3 . . ?
C71 C72 H72 119.3 . . ?
C74 C73 C72 119.9(8) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C73 C74 C75 120.4(8) . . ?
C73 C74 H74 119.8 . . ?
C75 C74 H74 119.8 . . ?
C74 C75 C76 119.9(8) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C71 C76 C75 120.4(8) . . ?
C71 C76 H76 119.8 . . ?
C75 C76 H76 119.8 . . ?
C82 C81 C86 118.5(7) . . ?
C82 C81 P3 123.9(6) . . ?
C86 C81 P3 117.5(5) . . ?
C81 C82 C83 121.2(9) . . ?
C81 C82 H82 119.4 . . ?
C83 C82 H82 119.4 . . ?
C82 C83 C84 118.9(9) . . ?
C82 C83 H83 120.6 . . ?
C84 C83 H83 120.6 . . ?
C85 C84 C83 120.5(8) . . ?
C85 C84 H84 119.8 . . ?
C83 C84 H84 119.8 . . ?
C84 C85 C86 119.8(8) . . ?
C84 C85 H85 120.1 . . ?
C86 C85 H85 120.1 . . ?
C85 C86 C81 121.1(7) . . ?
C85 C86 H86 119.4 . . ?
C81 C86 H86 119.4 . . ?
C98 C91 N3 109.5(5) . . ?
C98 C91 C1 134.6(6) . . ?
N3 C91 C1 115.5(5) . . ?
C93 C92 N3 130.5(7) . . ?
C93 C92 C97 121.5(6) . . ?
N3 C92 C97 108.0(6) . . ?
C94 C93 C92 117.2(8) . . ?
C94 C93 H93 121.4 . . ?
C92 C93 H93 121.4 . . ?
C93 C94 C95 121.8(8) . . ?
C93 C94 H94 119.1 . . ?
C95 C94 H94 119.1 . . ?
C96 C95 C94 120.9(7) . . ?
C96 C95 H95 119.5 . . ?
C94 C95 H95 119.5 . . ?
C95 C96 C97 120.0(8) . . ?
C95 C96 H96 120.0 . . ?
C97 C96 H96 120.0 . . ?
C96 C97 C92 118.6(7) . . ?
C96 C97 C98 133.6(7) . . ?
C92 C97 C98 107.7(6) . . ?
C91 C98 C97 107.6(6) . . ?
C91 C98 C99 128.7(6) . . ?
C97 C98 C99 123.7(6) . . ?
C98 C99 H99A 109.5 . . ?
C98 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C98 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 C3 1.951(7) . ?
Mo1 C2 1.975(7) . ?
Mo1 C01 1.977(8) . ?
Mo1 P2 2.5975(17) . ?
Mo1 P1 2.6013(16) . ?
Mo1 P3 2.6059(16) . ?
Mo1 C1 3.448(6) . ?
Mo1 H1 2.55(6) . ?
P1 N1 1.740(5) . ?
P1 C21 1.829(6) . ?
P1 C11 1.836(6) . ?
N1 C32 1.404(8) . ?
N1 C31 1.424(8) . ?
O1 C01 1.153(8) . ?
C1 C91 1.495(8) . ?
C1 C31 1.505(8) . ?
C1 C61 1.514(8) . ?
C1 H1 0.90(5) . ?
Cl1 C4 2.03(2) . ?
N2 C62 1.410(8) . ?
N2 C61 1.418(8) . ?
N2 P2 1.729(5) . ?
O2 C3 1.163(8) . ?
C2 O3 1.157(8) . ?
P2 C41 1.825(6) . ?
P2 C51 1.838(6) . ?
Cl2 C5 1.69(2) . ?
N3 C92 1.405(8) . ?
N3 C91 1.423(8) . ?
N3 P3 1.746(5) . ?
P3 C81 1.826(7) . ?
P3 C71 1.838(7) . ?
Cl3 C4 1.803(16) . ?
Cl4 C4 1.672(18) . ?
C4 H4 0.9800 . ?
Cl5 C5 1.743(17) . ?
C5 Cl6 1.76(2) . ?
C5 H5 0.9800 . ?
C6 Cl7 1.59(2) . ?
C6 Cl8 1.76(3) . ?
C6 Cl9 2.03(5) . ?
C6 H6 0.9800 . ?
C11 C16 1.387(9) . ?
C11 C12 1.390(10) . ?
C12 C13 1.384(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.363(14) . ?
C13 H13 0.9300 . ?
C14 C15 1.370(14) . ?
C14 H14 0.9300 . ?
C15 C16 1.381(11) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C26 1.393(10) . ?
C21 C22 1.393(10) . ?
C22 C23 1.382(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(12) . ?
C23 H23 0.9300 . ?
C24 C25 1.344(13) . ?
C24 H24 0.9300 . ?
C25 C26 1.410(11) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C38 1.349(9) . ?
C32 C37 1.383(10) . ?
C32 C33 1.399(9) . ?
C33 C34 1.367(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.360(12) . ?
C34 H34 0.9300 . ?
C35 C36 1.385(12) . ?
C35 H35 0.9300 . ?
C36 C37 1.410(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.441(10) . ?
C38 C39 1.501(10) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C41 C46 1.382(10) . ?
C41 C42 1.406(9) . ?
C42 C43 1.371(10) . ?
C42 H42 0.9300 . ?
C43 C44 1.356(13) . ?
C43 H43 0.9300 . ?
C44 C45 1.392(13) . ?
C44 H44 0.9300 . ?
C45 C46 1.389(11) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C52 1.381(9) . ?
C51 C56 1.399(9) . ?
C52 C53 1.369(10) . ?
C52 H52 0.9300 . ?
C53 C54 1.362(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.363(11) . ?
C54 H54 0.9300 . ?
C55 C56 1.385(10) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C68 1.368(9) . ?
C62 C63 1.393(10) . ?
C62 C67 1.400(10) . ?
C63 C64 1.391(11) . ?
C63 H63 0.9300 . ?
C64 C65 1.353(13) . ?
C64 H64 0.9300 . ?
C65 C66 1.383(13) . ?
C65 H65 0.9300 . ?
C66 C67 1.402(10) . ?
C66 H66 0.9300 . ?
C67 C68 1.420(10) . ?
C68 C69 1.505(10) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C71 C76 1.375(10) . ?
C71 C72 1.396(9) . ?
C72 C73 1.370(10) . ?
C72 H72 0.9300 . ?
C73 C74 1.361(12) . ?
C73 H73 0.9300 . ?
C74 C75 1.370(13) . ?
C74 H74 0.9300 . ?
C75 C76 1.398(11) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C81 C82 1.366(10) . ?
C81 C86 1.387(10) . ?
C82 C83 1.384(12) . ?
C82 H82 0.9300 . ?
C83 C84 1.391(15) . ?
C83 H83 0.9300 . ?
C84 C85 1.358(13) . ?
C84 H84 0.9300 . ?
C85 C86 1.371(11) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C91 C98 1.369(9) . ?
C92 C93 1.399(10) . ?
C92 C97 1.411(10) . ?
C93 C94 1.373(11) . ?
C93 H93 0.9300 . ?
C94 C95 1.393(13) . ?
C94 H94 0.9300 . ?
C95 C96 1.349(12) . ?
C95 H95 0.9300 . ?
C96 C97 1.398(9) . ?
C96 H96 0.9300 . ?
C97 C98 1.428(9) . ?
C98 C99 1.512(9) . ?
C99 H99A 0.9600 . ?
C99 H99B 0.9600 . ?
C99 H99C 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 Mo1 P1 N1 -124.4(3) . . . . ?
C2 Mo1 P1 N1 -148.0(10) . . . . ?
C01 Mo1 P1 N1 152.2(3) . . . . ?
P2 Mo1 P1 N1 -33.6(2) . . . . ?
P3 Mo1 P1 N1 64.6(2) . . . . ?
C1 Mo1 P1 N1 16.5(2) . . . . ?
C3 Mo1 P1 C21 -8.6(3) . . . . ?
C2 Mo1 P1 C21 -32.3(10) . . . . ?
C01 Mo1 P1 C21 -92.0(3) . . . . ?
P2 Mo1 P1 C21 82.1(2) . . . . ?
P3 Mo1 P1 C21 -179.7(2) . . . . ?
C1 Mo1 P1 C21 132.3(3) . . . . ?
C3 Mo1 P1 C11 111.7(3) . . . . ?
C2 Mo1 P1 C11 88.0(10) . . . . ?
C01 Mo1 P1 C11 28.3(3) . . . . ?
P2 Mo1 P1 C11 -157.5(2) . . . . ?
P3 Mo1 P1 C11 -59.3(2) . . . . ?
C1 Mo1 P1 C11 -107.4(3) . . . . ?
C21 P1 N1 C32 35.0(6) . . . . ?
C11 P1 N1 C32 -73.6(6) . . . . ?
Mo1 P1 N1 C32 155.5(4) . . . . ?
C21 P1 N1 C31 -126.9(5) . . . . ?
C11 P1 N1 C31 124.5(5) . . . . ?
Mo1 P1 N1 C31 -6.4(6) . . . . ?
C3 Mo1 C1 C91 147.4(4) . . . . ?
C2 Mo1 C1 C91 -92.3(4) . . . . ?
C01 Mo1 C1 C91 28.3(5) . . . . ?
P2 Mo1 C1 C91 -148.5(4) . . . . ?
P1 Mo1 C1 C91 91.9(4) . . . . ?
P3 Mo1 C1 C91 -30.8(3) . . . . ?
C3 Mo1 C1 C31 28.2(5) . . . . ?
C2 Mo1 C1 C31 148.5(4) . . . . ?
C01 Mo1 C1 C31 -90.9(4) . . . . ?
P2 Mo1 C1 C31 92.3(4) . . . . ?
P1 Mo1 C1 C31 -27.2(3) . . . . ?
P3 Mo1 C1 C31 -149.9(4) . . . . ?
C3 Mo1 C1 C61 -94.0(4) . . . . ?
C2 Mo1 C1 C61 26.3(5) . . . . ?
C01 Mo1 C1 C61 146.9(4) . . . . ?
P2 Mo1 C1 C61 -29.9(3) . . . . ?
P1 Mo1 C1 C61 -149.5(4) . . . . ?
P3 Mo1 C1 C61 87.8(3) . . . . ?
C3 Mo1 C01 O1 56(5) . . . . ?
C2 Mo1 C01 O1 -28(5) . . . . ?
P2 Mo1 C01 O1 -3(6) . . . . ?
P1 Mo1 C01 O1 142(5) . . . . ?
P3 Mo1 C01 O1 -118(5) . . . . ?
C1 Mo1 C01 O1 -167(5) . . . . ?
C3 Mo1 C2 O3 -31(4) . . . . ?
C01 Mo1 C2 O3 53(4) . . . . ?
P2 Mo1 C2 O3 -123(4) . . . . ?
P1 Mo1 C2 O3 -7(5) . . . . ?
P3 Mo1 C2 O3 141(4) . . . . ?
C1 Mo1 C2 O3 -169(4) . . . . ?
C62 N2 P2 C41 -79.4(6) . . . . ?
C61 N2 P2 C41 115.9(5) . . . . ?
C62 N2 P2 C51 28.6(6) . . . . ?
C61 N2 P2 C51 -136.1(5) . . . . ?
C62 N2 P2 Mo1 147.2(4) . . . . ?
C61 N2 P2 Mo1 -17.5(6) . . . . ?
C3 Mo1 P2 N2 159.2(3) . . . . ?
C2 Mo1 P2 N2 -118.3(3) . . . . ?
C01 Mo1 P2 N2 -143.0(12) . . . . ?
P1 Mo1 P2 N2 72.7(2) . . . . ?
P3 Mo1 P2 N2 -28.3(2) . . . . ?
C1 Mo1 P2 N2 22.6(2) . . . . ?
C3 Mo1 P2 C41 33.7(3) . . . . ?
C2 Mo1 P2 C41 116.2(3) . . . . ?
C01 Mo1 P2 C41 91.6(12) . . . . ?
P1 Mo1 P2 C41 -52.7(2) . . . . ?
P3 Mo1 P2 C41 -153.7(2) . . . . ?
C1 Mo1 P2 C41 -102.9(3) . . . . ?
C3 Mo1 P2 C51 -84.7(3) . . . . ?
C2 Mo1 P2 C51 -2.2(3) . . . . ?
C01 Mo1 P2 C51 -26.9(12) . . . . ?
P1 Mo1 P2 C51 -171.2(2) . . . . ?
P3 Mo1 P2 C51 87.8(2) . . . . ?
C1 Mo1 P2 C51 138.7(2) . . . . ?
C2 Mo1 C3 O2 48(5) . . . . ?
C01 Mo1 C3 O2 -37(5) . . . . ?
P2 Mo1 C3 O2 135(5) . . . . ?
P1 Mo1 C3 O2 -128(5) . . . . ?
P3 Mo1 C3 O2 -2(6) . . . . ?
C1 Mo1 C3 O2 -174(5) . . . . ?
C92 N3 P3 C81 27.9(6) . . . . ?
C91 N3 P3 C81 -123.1(5) . . . . ?
C92 N3 P3 C71 -79.8(6) . . . . ?
C91 N3 P3 C71 129.2(5) . . . . ?
C92 N3 P3 Mo1 148.6(5) . . . . ?
C91 N3 P3 Mo1 -2.4(6) . . . . ?
C3 Mo1 P3 N3 -155.9(11) . . . . ?
C2 Mo1 P3 N3 154.9(3) . . . . ?
C01 Mo1 P3 N3 -121.4(3) . . . . ?
P2 Mo1 P3 N3 67.7(2) . . . . ?
P1 Mo1 P3 N3 -31.6(2) . . . . ?
C1 Mo1 P3 N3 16.6(2) . . . . ?
C3 Mo1 P3 C81 -40.2(11) . . . . ?
C2 Mo1 P3 C81 -89.4(3) . . . . ?
C01 Mo1 P3 C81 -5.7(3) . . . . ?
P2 Mo1 P3 C81 -176.6(2) . . . . ?
P1 Mo1 P3 C81 84.1(2) . . . . ?
C1 Mo1 P3 C81 132.3(3) . . . . ?
C3 Mo1 P3 C71 79.7(11) . . . . ?
C2 Mo1 P3 C71 30.5(3) . . . . ?
C01 Mo1 P3 C71 114.3(3) . . . . ?
P2 Mo1 P3 C71 -56.6(2) . . . . ?
P1 Mo1 P3 C71 -156.0(2) . . . . ?
C1 Mo1 P3 C71 -107.7(3) . . . . ?
N1 P1 C11 C16 170.7(5) . . . . ?
C21 P1 C11 C16 67.2(6) . . . . ?
Mo1 P1 C11 C16 -54.9(6) . . . . ?
N1 P1 C11 C12 -15.8(6) . . . . ?
C21 P1 C11 C12 -119.2(6) . . . . ?
Mo1 P1 C11 C12 118.7(5) . . . . ?
C16 C11 C12 C13 0.2(11) . . . . ?
P1 C11 C12 C13 -173.5(6) . . . . ?
C11 C12 C13 C14 -1.2(13) . . . . ?
C12 C13 C14 C15 0.9(15) . . . . ?
C13 C14 C15 C16 0.4(14) . . . . ?
C14 C15 C16 C11 -1.4(12) . . . . ?
C12 C11 C16 C15 1.1(10) . . . . ?
P1 C11 C16 C15 174.7(6) . . . . ?
N1 P1 C21 C26 -139.9(6) . . . . ?
C11 P1 C21 C26 -35.7(6) . . . . ?
Mo1 P1 C21 C26 90.7(6) . . . . ?
N1 P1 C21 C22 44.1(6) . . . . ?
C11 P1 C21 C22 148.2(5) . . . . ?
Mo1 P1 C21 C22 -85.3(5) . . . . ?
C26 C21 C22 C23 1.7(10) . . . . ?
P1 C21 C22 C23 177.9(6) . . . . ?
C21 C22 C23 C24 -0.3(12) . . . . ?
C22 C23 C24 C25 -1.3(14) . . . . ?
C23 C24 C25 C26 1.4(14) . . . . ?
C22 C21 C26 C25 -1.6(11) . . . . ?
P1 C21 C26 C25 -177.6(6) . . . . ?
C24 C25 C26 C21 0.0(13) . . . . ?
C32 N1 C31 C38 -3.5(7) . . . . ?
P1 N1 C31 C38 161.3(5) . . . . ?
C32 N1 C31 C1 169.2(5) . . . . ?
P1 N1 C31 C1 -26.0(7) . . . . ?
C91 C1 C31 C38 93.9(9) . . . . ?
C61 C1 C31 C38 -42.7(10) . . . . ?
Mo1 C1 C31 C38 -155.1(7) . . . . ?
C91 C1 C31 N1 -76.5(7) . . . . ?
C61 C1 C31 N1 146.9(5) . . . . ?
Mo1 C1 C31 N1 34.5(5) . . . . ?
C31 N1 C32 C37 3.2(7) . . . . ?
P1 N1 C32 C37 -161.5(5) . . . . ?
C31 N1 C32 C33 -176.3(7) . . . . ?
P1 N1 C32 C33 19.1(10) . . . . ?
C37 C32 C33 C34 -0.5(11) . . . . ?
N1 C32 C33 C34 178.9(7) . . . . ?
C32 C33 C34 C35 -0.6(12) . . . . ?
C33 C34 C35 C36 -0.2(14) . . . . ?
C34 C35 C36 C37 1.9(13) . . . . ?
C33 C32 C37 C36 2.3(11) . . . . ?
N1 C32 C37 C36 -177.2(6) . . . . ?
C33 C32 C37 C38 177.7(6) . . . . ?
N1 C32 C37 C38 -1.8(8) . . . . ?
C35 C36 C37 C32 -2.9(12) . . . . ?
C35 C36 C37 C38 -177.1(8) . . . . ?
N1 C31 C38 C37 2.4(7) . . . . ?
C1 C31 C38 C37 -168.5(7) . . . . ?
N1 C31 C38 C39 178.6(8) . . . . ?
C1 C31 C38 C39 7.8(13) . . . . ?
C32 C37 C38 C31 -0.4(8) . . . . ?
C36 C37 C38 C31 174.4(8) . . . . ?
C32 C37 C38 C39 -176.9(7) . . . . ?
C36 C37 C38 C39 -2.2(13) . . . . ?
N2 P2 C41 C46 -8.4(6) . . . . ?
C51 P2 C41 C46 -114.2(6) . . . . ?
Mo1 P2 C41 C46 126.1(5) . . . . ?
N2 P2 C41 C42 176.4(5) . . . . ?
C51 P2 C41 C42 70.7(6) . . . . ?
Mo1 P2 C41 C42 -49.0(6) . . . . ?
C46 C41 C42 C43 2.2(11) . . . . ?
P2 C41 C42 C43 177.5(6) . . . . ?
C41 C42 C43 C44 -1.9(12) . . . . ?
C42 C43 C44 C45 1.3(14) . . . . ?
C43 C44 C45 C46 -0.9(15) . . . . ?
C42 C41 C46 C45 -1.8(11) . . . . ?
P2 C41 C46 C45 -177.1(7) . . . . ?
C44 C45 C46 C41 1.2(14) . . . . ?
N2 P2 C51 C52 -135.1(6) . . . . ?
C41 P2 C51 C52 -30.3(7) . . . . ?
Mo1 P2 C51 C52 96.9(6) . . . . ?
N2 P2 C51 C56 51.8(6) . . . . ?
C41 P2 C51 C56 156.6(5) . . . . ?
Mo1 P2 C51 C56 -76.2(5) . . . . ?
C56 C51 C52 C53 1.6(11) . . . . ?
P2 C51 C52 C53 -171.5(6) . . . . ?
C51 C52 C53 C54 0.8(13) . . . . ?
C52 C53 C54 C55 -2.8(13) . . . . ?
C53 C54 C55 C56 2.4(12) . . . . ?
C54 C55 C56 C51 0.0(11) . . . . ?
C52 C51 C56 C55 -1.9(10) . . . . ?
P2 C51 C56 C55 171.6(5) . . . . ?
C62 N2 C61 C68 -3.5(7) . . . . ?
P2 N2 C61 C68 163.8(5) . . . . ?
C62 N2 C61 C1 173.7(5) . . . . ?
P2 N2 C61 C1 -19.0(7) . . . . ?
C91 C1 C61 C68 -40.1(9) . . . . ?
C31 C1 C61 C68 96.5(8) . . . . ?
Mo1 C1 C61 C68 -150.2(6) . . . . ?
C91 C1 C61 N2 143.4(5) . . . . ?
C31 C1 C61 N2 -80.0(7) . . . . ?
Mo1 C1 C61 N2 33.3(5) . . . . ?
C61 N2 C62 C63 -173.9(7) . . . . ?
P2 N2 C62 C63 19.1(10) . . . . ?
C61 N2 C62 C67 3.7(7) . . . . ?
P2 N2 C62 C67 -163.3(5) . . . . ?
C67 C62 C63 C64 2.6(11) . . . . ?
N2 C62 C63 C64 179.9(7) . . . . ?
C62 C63 C64 C65 -1.9(13) . . . . ?
C63 C64 C65 C66 1.1(15) . . . . ?
C64 C65 C66 C67 -1.0(13) . . . . ?
C63 C62 C67 C66 -2.6(11) . . . . ?
N2 C62 C67 C66 179.6(6) . . . . ?
C63 C62 C67 C68 175.2(7) . . . . ?
N2 C62 C67 C68 -2.7(8) . . . . ?
C65 C66 C67 C62 1.7(12) . . . . ?
C65 C66 C67 C68 -175.4(8) . . . . ?
N2 C61 C68 C67 1.9(7) . . . . ?
C1 C61 C68 C67 -174.8(6) . . . . ?
N2 C61 C68 C69 -179.5(7) . . . . ?
C1 C61 C68 C69 3.9(12) . . . . ?
C62 C67 C68 C61 0.5(8) . . . . ?
C66 C67 C68 C61 177.8(8) . . . . ?
C62 C67 C68 C69 -178.2(7) . . . . ?
C66 C67 C68 C69 -0.9(13) . . . . ?
N3 P3 C71 C76 -17.1(6) . . . . ?
C81 P3 C71 C76 -120.1(6) . . . . ?
Mo1 P3 C71 C76 117.7(5) . . . . ?
N3 P3 C71 C72 168.2(5) . . . . ?
C81 P3 C71 C72 65.2(6) . . . . ?
Mo1 P3 C71 C72 -57.0(6) . . . . ?
C76 C71 C72 C73 2.6(10) . . . . ?
P3 C71 C72 C73 177.5(6) . . . . ?
C71 C72 C73 C74 -2.0(12) . . . . ?
C72 C73 C74 C75 0.1(13) . . . . ?
C73 C74 C75 C76 1.0(13) . . . . ?
C72 C71 C76 C75 -1.5(10) . . . . ?
P3 C71 C76 C75 -176.3(6) . . . . ?
C74 C75 C76 C71 -0.3(12) . . . . ?
N3 P3 C81 C82 -119.7(7) . . . . ?
C71 P3 C81 C82 -15.9(8) . . . . ?
Mo1 P3 C81 C82 111.0(7) . . . . ?
N3 P3 C81 C86 56.9(6) . . . . ?
C71 P3 C81 C86 160.7(6) . . . . ?
Mo1 P3 C81 C86 -72.5(6) . . . . ?
C86 C81 C82 C83 0.5(15) . . . . ?
P3 C81 C82 C83 177.1(9) . . . . ?
C81 C82 C83 C84 0.9(19) . . . . ?
C82 C83 C84 C85 -1(2) . . . . ?
C83 C84 C85 C86 -0.7(18) . . . . ?
C84 C85 C86 C81 2.1(14) . . . . ?
C82 C81 C86 C85 -2.1(12) . . . . ?
P3 C81 C86 C85 -178.8(7) . . . . ?
C92 N3 C91 C98 -4.0(7) . . . . ?
P3 N3 C91 C98 151.4(5) . . . . ?
C92 N3 C91 C1 170.1(5) . . . . ?
P3 N3 C91 C1 -34.5(7) . . . . ?
C31 C1 C91 C98 -33.9(10) . . . . ?
C61 C1 C91 C98 103.9(8) . . . . ?
Mo1 C1 C91 C98 -146.0(7) . . . . ?
C31 C1 C91 N3 153.9(5) . . . . ?
C61 C1 C91 N3 -68.3(7) . . . . ?
Mo1 C1 C91 N3 41.8(5) . . . . ?
C91 N3 C92 C93 -174.8(8) . . . . ?
P3 N3 C92 C93 30.3(11) . . . . ?
C91 N3 C92 C97 4.5(7) . . . . ?
P3 N3 C92 C97 -150.4(5) . . . . ?
N3 C92 C93 C94 -179.0(8) . . . . ?
C97 C92 C93 C94 1.7(12) . . . . ?
C92 C93 C94 C95 -1.7(14) . . . . ?
C93 C94 C95 C96 1.2(16) . . . . ?
C94 C95 C96 C97 -0.6(14) . . . . ?
C95 C96 C97 C92 0.7(12) . . . . ?
C95 C96 C97 C98 -175.7(8) . . . . ?
C93 C92 C97 C96 -1.3(11) . . . . ?
N3 C92 C97 C96 179.4(6) . . . . ?
C93 C92 C97 C98 176.0(7) . . . . ?
N3 C92 C97 C98 -3.4(8) . . . . ?
N3 C91 C98 C97 1.9(7) . . . . ?
C1 C91 C98 C97 -170.7(7) . . . . ?
N3 C91 C98 C99 -179.5(7) . . . . ?
C1 C91 C98 C99 7.9(12) . . . . ?
C96 C97 C98 C91 177.6(8) . . . . ?
C92 C97 C98 C91 0.9(8) . . . . ?
C96 C97 C98 C99 -1.1(13) . . . . ?
C92 C97 C98 C99 -177.7(7) . . . . ?
