#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:21:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179812 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010822.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_7010822
loop_
_publ_author_name
'Slawin, Alexandra M. Z.'
'Wainwright, Matthew'
'Woollins, J. Derek'
_publ_section_title
;
 The preparation and coordination chemistry of phosphorus(iii)
 derivatives of dialkyl ureas and thioureas
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2724
_journal_paper_doi               10.1039/b104122n
_journal_year                    2001
_chemical_formula_analytical     'C31 H26 Mo N2 O5 P2'
_chemical_formula_moiety         'C31 H26 Mo N2 O5 P2'
_chemical_formula_structural     'C31 H26 Mo N2 O5 P2'
_chemical_formula_sum            'C31 H26 Mo N2 O5 P2'
_chemical_formula_weight         664.42
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 94.4850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.05470(10)
_cell_length_b                   17.0186(2)
_cell_length_c                   14.662
_cell_measurement_reflns_used    51
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      337
_cell_measurement_theta_min      23
_cell_volume                     2998.76(4)
_computing_cell_refinement       SMART/SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       SMART
_diffrn_measurement_method       CCD
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12800
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.586
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.853453
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          .04
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .2
_refine_diff_density_max         0.227
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.0041(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.950
_refine_ls_goodness_of_fit_obs   0.978
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         4253
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_restrained_S_obs      0.978
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_obs          0.0251
_refine_ls_shift/esd_max         -0.003
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w=1/[\s^2^(Fo^2^)+(0.0456P)^2^+0.0098P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_wR_factor_all         0.0790
_refine_ls_wR_factor_obs         0.0609
_reflns_number_observed          3487
_reflns_number_total             4303
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b104122n.txt
_cod_data_source_block           13
_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 
;
_cod_original_cell_volume        2998.72(4)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7010822
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mo1 Mo 0.39254(2) 0.030220(13) 0.800381(14) 0.03737(10) Uani 1 d . .
C31 C 0.3553(2) -0.0372(2) 0.9058(2) 0.0535(7) Uani 1 d . .
O31 O 0.3314(2) -0.0752(2) 0.9661(2) 0.0885(8) Uani 1 d . .
C32 C 0.4232(2) 0.1207(2) 0.8884(2) 0.0559(8) Uani 1 d . .
O32 O 0.4438(2) 0.1703(2) 0.9396(2) 0.0945(8) Uani 1 d . .
C33 C 0.3747(2) -0.0664(2) 0.7185(2) 0.0466(7) Uani 1 d . .
O33 O 0.3700(2) -0.12321(13) 0.67588(15) 0.0730(6) Uani 1 d . .
C34 C 0.5536(3) 0.0013(2) 0.8198(2) 0.0542(7) Uani 1 d . .
O34 O 0.6458(2) -0.01545(15) 0.8312(2) 0.0835(7) Uani 1 d . .
P1 P 0.40985(5) 0.12659(4) 0.67496(4) 0.0371(2) Uani 1 d . .
C1 C 0.5483(2) 0.16516(15) 0.6543(2) 0.0443(6) Uani 1 d . .
C2 C 0.6287(2) 0.1705(2) 0.7276(2) 0.0606(8) Uani 1 d . .
H2A H 0.6124(2) 0.1542(2) 0.7856(2) 0.073 Uiso 1 calc R .
C3 C 0.7330(2) 0.2002(2) 0.7138(3) 0.0760(10) Uani 1 d . .
H3A H 0.7864(2) 0.2045(2) 0.7629(3) 0.091 Uiso 1 calc R .
C4 C 0.7583(2) 0.2232(2) 0.6284(3) 0.0790(11) Uani 1 d . .
H4A H 0.8286(2) 0.2430(2) 0.6198(3) 0.095 Uiso 1 calc R .
C5 C 0.6807(3) 0.2173(2) 0.5561(3) 0.0775(10) Uani 1 d . .
H5A H 0.6985(3) 0.2322(2) 0.4979(3) 0.093 Uiso 1 calc R .
C6 C 0.5745(2) 0.1890(2) 0.5691(2) 0.0585(8) Uani 1 d . .
H6A H 0.5211(2) 0.1862(2) 0.5199(2) 0.070 Uiso 1 calc R .
C7 C 0.3503(2) 0.10871(15) 0.5574(2) 0.0378(6) Uani 1 d . .
C8 C 0.2890(2) 0.1659(2) 0.5074(2) 0.0473(7) Uani 1 d . .
H8A H 0.2786(2) 0.2151(2) 0.5331(2) 0.057 Uiso 1 calc R .
C9 C 0.2440(2) 0.1500(2) 0.4204(2) 0.0585(8) Uani 1 d . .
H9A H 0.2025(2) 0.1883(2) 0.3879(2) 0.070 Uiso 1 calc R .
C10 C 0.2596(2) 0.0782(2) 0.3811(2) 0.0626(9) Uani 1 d . .
H10A H 0.2279(2) 0.0677(2) 0.3225(2) 0.075 Uiso 1 calc R .
C11 C 0.3219(2) 0.0217(2) 0.4283(2) 0.0585(8) Uani 1 d . .
H11A H 0.3344(2) -0.0265(2) 0.4012(2) 0.070 Uiso 1 calc R .
C12 C 0.3662(2) 0.0371(2) 0.5171(2) 0.0458(7) Uani 1 d . .
H12A H 0.4070(2) -0.0016(2) 0.5495(2) 0.055 Uiso 1 calc R .
N1 N 0.3398(2) 0.21177(12) 0.70304(14) 0.0407(5) Uani 1 d . .
C26 C 0.3969(2) 0.2886(2) 0.7135(3) 0.0714(10) Uani 1 d . .
H26A H 0.4756(2) 0.2811(2) 0.7112(3) 0.107 Uiso 1 calc R .
H26B H 0.3824(2) 0.3114(2) 0.7712(3) 0.107 Uiso 1 calc R .
H26C H 0.3699(2) 0.3229(2) 0.6648(3) 0.107 Uiso 1 calc R .
C13 C 0.2257(2) 0.2153(2) 0.7053(2) 0.0375(6) Uani 1 d . .
O13 O 0.17682(14) 0.27802(11) 0.70763(13) 0.0534(5) Uani 1 d . .
N2 N 0.1645(2) 0.14462(12) 0.69825(13) 0.0364(5) Uani 1 d . .
C27 C 0.0459(2) 0.1600(2) 0.6686(2) 0.0493(7) Uani 1 d . .
H27A H 0.0059(2) 0.1112(2) 0.6643(2) 0.074 Uiso 1 calc R .
H27B H 0.0409(2) 0.1853(2) 0.6099(2) 0.074 Uiso 1 calc R .
H27C H 0.0142(2) 0.1934(2) 0.7124(2) 0.074 Uiso 1 calc R .
P2 P 0.19303(5) 0.06273(4) 0.76605(4) 0.0355(2) Uani 1 d . .
C14 C 0.0994(2) 0.0775(2) 0.8580(2) 0.0447(7) Uani 1 d . .
C15 C 0.1421(3) 0.1096(2) 0.9398(2) 0.0578(8) Uani 1 d . .
H15A H 0.2182(3) 0.1186(2) 0.9498(2) 0.069 Uiso 1 calc R .
C16 C 0.0715(3) 0.1286(2) 1.0078(2) 0.0720(10) Uani 1 d . .
H16A H 0.1007(3) 0.1504(2) 1.0627(2) 0.086 Uiso 1 calc R .
C17 C -0.0399(3) 0.1152(2) 0.9937(2) 0.0728(10) Uani 1 d . .
H17A H -0.0867(3) 0.1290(2) 1.0387(2) 0.087 Uiso 1 calc R .
C18 C -0.0835(3) 0.0818(2) 0.9143(2) 0.0714(10) Uani 1 d . .
H18A H -0.1594(3) 0.0714(2) 0.9059(2) 0.086 Uiso 1 calc R .
C19 C -0.0150(2) 0.0634(2) 0.8468(2) 0.0624(8) Uani 1 d . .
H19A H -0.0454(2) 0.0412(2) 0.7925(2) 0.075 Uiso 1 calc R .
C20 C 0.1256(2) -0.01556(15) 0.6969(2) 0.0381(6) Uani 1 d . .
C21 C 0.1260(2) -0.0154(2) 0.6024(2) 0.0424(6) Uani 1 d . .
H21A H 0.1486(2) 0.0294(2) 0.5725(2) 0.051 Uiso 1 calc R .
C22 C 0.0930(2) -0.0816(2) 0.5521(2) 0.0575(8) Uani 1 d . .
H22A H 0.0957(2) -0.0814(2) 0.4889(2) 0.069 Uiso 1 calc R .
C23 C 0.0566(3) -0.1470(2) 0.5950(2) 0.0673(9) Uani 1 d . .
H23A H 0.0344(3) -0.1912(2) 0.5610(2) 0.081 Uiso 1 calc R .
C24 C 0.0531(3) -0.1471(2) 0.6878(2) 0.0679(9) Uani 1 d . .
H24A H 0.0268(3) -0.1912(2) 0.7168(2) 0.081 Uiso 1 calc R .
C25 C 0.0882(2) -0.0825(2) 0.7392(2) 0.0581(8) Uani 1 d . .
H25A H 0.0868(2) -0.0838(2) 0.8025(2) 0.070 Uiso 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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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'
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
C34 Mo1 C31 91.28(12) . . ?
C34 Mo1 C32 88.28(11) . . ?
C31 Mo1 C32 89.13(12) . . ?
C34 Mo1 C33 86.67(11) . . ?
C31 Mo1 C33 88.45(11) . . ?
C32 Mo1 C33 174.35(11) . . ?
C34 Mo1 P2 176.29(8) . . ?
C31 Mo1 P2 90.70(8) . . ?
C32 Mo1 P2 94.90(8) . . ?
C33 Mo1 P2 90.24(7) . . ?
C34 Mo1 P1 97.54(9) . . ?
C31 Mo1 P1 170.25(8) . . ?
C32 Mo1 P1 87.00(9) . . ?
C33 Mo1 P1 96.16(8) . . ?
P2 Mo1 P1 80.72(2) . . ?
O31 C31 Mo1 178.4(3) . . ?
O32 C32 Mo1 177.5(3) . . ?
O33 C33 Mo1 175.5(2) . . ?
O34 C34 Mo1 179.8(2) . . ?
N1 P1 C7 101.42(10) . . ?
N1 P1 C1 101.82(11) . . ?
C7 P1 C1 101.35(12) . . ?
N1 P1 Mo1 107.69(7) . . ?
C7 P1 Mo1 122.35(8) . . ?
C1 P1 Mo1 119.14(9) . . ?
C6 C1 C2 119.2(2) . . ?
C6 C1 P1 122.1(2) . . ?
C2 C1 P1 118.8(2) . . ?
C3 C2 C1 119.7(3) . . ?
C4 C3 C2 120.5(3) . . ?
C5 C4 C3 120.3(3) . . ?
C4 C5 C6 120.0(3) . . ?
C1 C6 C5 120.4(3) . . ?
C12 C7 C8 118.6(2) . . ?
C12 C7 P1 119.5(2) . . ?
C8 C7 P1 121.9(2) . . ?
C9 C8 C7 120.3(3) . . ?
C10 C9 C8 120.6(3) . . ?
C9 C10 C11 120.0(3) . . ?
C10 C11 C12 119.7(3) . . ?
C7 C12 C11 120.8(3) . . ?
C13 N1 C26 114.6(2) . . ?
C13 N1 P1 123.0(2) . . ?
C26 N1 P1 121.9(2) . . ?
O13 C13 N1 121.5(2) . . ?
O13 C13 N2 119.7(2) . . ?
N1 C13 N2 118.6(2) . . ?
C13 N2 C27 110.9(2) . . ?
C13 N2 P2 124.4(2) . . ?
C27 N2 P2 117.0(2) . . ?
N2 P2 C20 102.04(10) . . ?
N2 P2 C14 101.83(11) . . ?
C20 P2 C14 103.55(12) . . ?
N2 P2 Mo1 116.23(7) . . ?
C20 P2 Mo1 109.42(8) . . ?
C14 P2 Mo1 121.45(9) . . ?
C15 C14 C19 117.9(3) . . ?
C15 C14 P2 118.8(2) . . ?
C19 C14 P2 123.1(2) . . ?
C14 C15 C16 120.3(3) . . ?
C17 C16 C15 120.1(3) . . ?
C18 C17 C16 120.6(3) . . ?
C17 C18 C19 119.8(3) . . ?
C18 C19 C14 121.3(3) . . ?
C21 C20 C25 118.4(2) . . ?
C21 C20 P2 121.1(2) . . ?
C25 C20 P2 119.7(2) . . ?
C22 C21 C20 120.4(3) . . ?
C23 C22 C21 120.4(3) . . ?
C24 C23 C22 119.7(3) . . ?
C23 C24 C25 120.7(3) . . ?
C24 C25 C20 120.4(3) . . ?
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 C34 2.001(3) . ?
Mo1 C31 2.003(3) . ?
Mo1 C32 2.024(3) . ?
Mo1 C33 2.037(3) . ?
Mo1 P2 2.4808(6) . ?
Mo1 P1 2.4849(7) . ?
C31 O31 1.150(3) . ?
C32 O32 1.144(3) . ?
C33 O33 1.151(3) . ?
C34 O34 1.148(3) . ?
P1 N1 1.743(2) . ?
P1 C7 1.840(3) . ?
P1 C1 1.841(2) . ?
C1 C6 1.373(4) . ?
C1 C2 1.394(4) . ?
C2 C3 1.384(4) . ?
C3 C4 1.369(5) . ?
C4 C5 1.362(4) . ?
C5 C6 1.396(4) . ?
C7 C12 1.375(3) . ?
C7 C8 1.396(3) . ?
C8 C9 1.372(4) . ?
C9 C10 1.371(4) . ?
C10 C11 1.373(4) . ?
C11 C12 1.392(4) . ?
N1 C13 1.379(3) . ?
N1 C26 1.480(3) . ?
C13 O13 1.221(3) . ?
C13 N2 1.411(3) . ?
N2 C27 1.485(3) . ?
N2 P2 1.731(2) . ?
P2 C20 1.827(2) . ?
P2 C14 1.842(2) . ?
C14 C15 1.381(4) . ?
C14 C19 1.397(4) . ?
C15 C16 1.398(4) . ?
C16 C17 1.363(5) . ?
C17 C18 1.364(5) . ?
C18 C19 1.374(4) . ?
C20 C21 1.385(3) . ?
C20 C25 1.389(4) . ?
C21 C22 1.388(4) . ?
C22 C23 1.368(4) . ?
C23 C24 1.365(4) . ?
C24 C25 1.381(4) . ?
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
C34 Mo1 C31 O31 172.8(1000) . . . . ?
C32 Mo1 C31 O31 84.5(97) . . . . ?
C33 Mo1 C31 O31 -100.6(97) . . . . ?
P2 Mo1 C31 O31 -10.4(97) . . . . ?
P1 Mo1 C31 O31 17.9(101) . . . . ?
C34 Mo1 C32 O32 -26.1(66) . . . . ?
C31 Mo1 C32 O32 65.2(66) . . . . ?
C33 Mo1 C32 O32 0.5(74) . . . . ?
P2 Mo1 C32 O32 155.9(66) . . . . ?
P1 Mo1 C32 O32 -123.7(66) . . . . ?
C34 Mo1 C33 O33 32.7(33) . . . . ?
C31 Mo1 C33 O33 -58.6(33) . . . . ?
C32 Mo1 C33 O33 6.1(41) . . . . ?
P2 Mo1 C33 O33 -149.3(33) . . . . ?
P1 Mo1 C33 O33 130.0(33) . . . . ?
C31 Mo1 C34 O34 -6.3(964) . . . . ?
C32 Mo1 C34 O34 82.8(1000) . . . . ?
C33 Mo1 C34 O34 -94.7(964) . . . . ?
P2 Mo1 C34 O34 -128.5(1000) . . . . ?
P1 Mo1 C34 O34 169.5(1000) . . . . ?
C34 Mo1 P1 N1 -130.52(11) . . . . ?
C31 Mo1 P1 N1 24.1(5) . . . . ?
C32 Mo1 P1 N1 -42.66(10) . . . . ?
C33 Mo1 P1 N1 142.03(10) . . . . ?
P2 Mo1 P1 N1 52.80(7) . . . . ?
C34 Mo1 P1 C7 112.86(12) . . . . ?
C31 Mo1 P1 C7 -92.5(5) . . . . ?
C32 Mo1 P1 C7 -159.28(12) . . . . ?
C33 Mo1 P1 C7 25.41(12) . . . . ?
P2 Mo1 P1 C7 -63.82(9) . . . . ?
C34 Mo1 P1 C1 -15.44(13) . . . . ?
C31 Mo1 P1 C1 139.2(5) . . . . ?
C32 Mo1 P1 C1 72.42(13) . . . . ?
C33 Mo1 P1 C1 -102.89(12) . . . . ?
P2 Mo1 P1 C1 167.88(10) . . . . ?
N1 P1 C1 C6 -90.7(2) . . . . ?
C7 P1 C1 C6 13.7(3) . . . . ?
Mo1 P1 C1 C6 151.1(2) . . . . ?
N1 P1 C1 C2 89.0(2) . . . . ?
C7 P1 C1 C2 -166.6(2) . . . . ?
Mo1 P1 C1 C2 -29.1(2) . . . . ?
C6 C1 C2 C3 0.5(4) . . . . ?
P1 C1 C2 C3 -179.3(2) . . . . ?
C1 C2 C3 C4 -0.9(5) . . . . ?
C2 C3 C4 C5 0.1(6) . . . . ?
C3 C4 C5 C6 1.1(6) . . . . ?
C2 C1 C6 C5 0.8(4) . . . . ?
P1 C1 C6 C5 -179.5(2) . . . . ?
C4 C5 C6 C1 -1.6(5) . . . . ?
N1 P1 C7 C12 -165.9(2) . . . . ?
C1 P1 C7 C12 89.4(2) . . . . ?
Mo1 P1 C7 C12 -46.3(2) . . . . ?
N1 P1 C7 C8 14.0(2) . . . . ?
C1 P1 C7 C8 -90.7(2) . . . . ?
Mo1 P1 C7 C8 133.6(2) . . . . ?
C12 C7 C8 C9 1.2(4) . . . . ?
P1 C7 C8 C9 -178.7(2) . . . . ?
C7 C8 C9 C10 -0.7(4) . . . . ?
C8 C9 C10 C11 -0.8(5) . . . . ?
C9 C10 C11 C12 1.9(5) . . . . ?
C8 C7 C12 C11 -0.1(4) . . . . ?
P1 C7 C12 C11 179.8(2) . . . . ?
C10 C11 C12 C7 -1.4(4) . . . . ?
C7 P1 N1 C13 61.3(2) . . . . ?
C1 P1 N1 C13 165.7(2) . . . . ?
Mo1 P1 N1 C13 -68.3(2) . . . . ?
C7 P1 N1 C26 -109.8(2) . . . . ?
C1 P1 N1 C26 -5.5(2) . . . . ?
Mo1 P1 N1 C26 120.6(2) . . . . ?
C26 N1 C13 O13 6.1(4) . . . . ?
P1 N1 C13 O13 -165.7(2) . . . . ?
C26 N1 C13 N2 -178.4(2) . . . . ?
P1 N1 C13 N2 9.8(3) . . . . ?
O13 C13 N2 C27 16.0(3) . . . . ?
N1 C13 N2 C27 -159.6(2) . . . . ?
O13 C13 N2 P2 -132.3(2) . . . . ?
N1 C13 N2 P2 52.1(3) . . . . ?
C13 N2 P2 C20 -158.8(2) . . . . ?
C27 N2 P2 C20 54.6(2) . . . . ?
C13 N2 P2 C14 94.3(2) . . . . ?
C27 N2 P2 C14 -52.3(2) . . . . ?
C13 N2 P2 Mo1 -39.9(2) . . . . ?
C27 N2 P2 Mo1 173.52(15) . . . . ?
C34 Mo1 P2 N2 -75.9(14) . . . . ?
C31 Mo1 P2 N2 161.86(11) . . . . ?
C32 Mo1 P2 N2 72.67(12) . . . . ?
C33 Mo1 P2 N2 -109.69(11) . . . . ?
P1 Mo1 P2 N2 -13.48(8) . . . . ?
C34 Mo1 P2 C20 38.9(14) . . . . ?
C31 Mo1 P2 C20 -83.29(12) . . . . ?
C32 Mo1 P2 C20 -172.48(12) . . . . ?
C33 Mo1 P2 C20 5.17(11) . . . . ?
P1 Mo1 P2 C20 101.37(9) . . . . ?
C34 Mo1 P2 C14 159.4(14) . . . . ?
C31 Mo1 P2 C14 37.16(13) . . . . ?
C32 Mo1 P2 C14 -52.03(14) . . . . ?
C33 Mo1 P2 C14 125.62(13) . . . . ?
P1 Mo1 P2 C14 -138.18(11) . . . . ?
N2 P2 C14 C15 -98.4(2) . . . . ?
C20 P2 C14 C15 155.9(2) . . . . ?
Mo1 P2 C14 C15 32.7(3) . . . . ?
N2 P2 C14 C19 76.5(3) . . . . ?
C20 P2 C14 C19 -29.1(3) . . . . ?
Mo1 P2 C14 C19 -152.4(2) . . . . ?
C19 C14 C15 C16 -1.3(5) . . . . ?
P2 C14 C15 C16 173.8(2) . . . . ?
C14 C15 C16 C17 0.3(5) . . . . ?
C15 C16 C17 C18 1.3(5) . . . . ?
C16 C17 C18 C19 -1.8(6) . . . . ?
C17 C18 C19 C14 0.7(5) . . . . ?
C15 C14 C19 C18 0.9(5) . . . . ?
P2 C14 C19 C18 -174.1(3) . . . . ?
N2 P2 C20 C21 37.1(2) . . . . ?
C14 P2 C20 C21 142.6(2) . . . . ?
Mo1 P2 C20 C21 -86.6(2) . . . . ?
N2 P2 C20 C25 -153.0(2) . . . . ?
C14 P2 C20 C25 -47.5(2) . . . . ?
Mo1 P2 C20 C25 83.3(2) . . . . ?
C25 C20 C21 C22 -1.9(4) . . . . ?
P2 C20 C21 C22 168.1(2) . . . . ?
C20 C21 C22 C23 1.9(4) . . . . ?
C21 C22 C23 C24 -0.2(5) . . . . ?
C22 C23 C24 C25 -1.4(5) . . . . ?
C23 C24 C25 C20 1.3(5) . . . . ?
C21 C20 C25 C24 0.3(4) . . . . ?
P2 C20 C25 C24 -169.8(2) . . . . ?
