#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/51/4075122.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_4075122
loop_
_publ_author_name
'Benito-Garagorri, David'
'Becker, Eva'
'Wiedermann, Julia'
'Lackner, Wolfgang'
'Pollak, Martin'
'Mereiter, Kurt'
'Kisala, Joanna'
'Kirchner, Karl'
_publ_section_title
;
 Achiral and Chiral Transition Metal Complexes with Modularly Designed
 Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1900
_journal_paper_doi               10.1021/om0600644
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C20 H33 I Mo N3 O3 P2,  I3'
_chemical_formula_sum            'C20 H33 I4 Mo N3 O3 P2'
_chemical_formula_weight         1028.97
_chemical_name_common            '1111 [Mo(PNP-iPr)(CO)3(I)].(I3)'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.783(1)
_cell_angle_beta                 92.557(1)
_cell_angle_gamma                107.697(1)
_cell_formula_units_Z            2
_cell_length_a                   8.1066(4)
_cell_length_b                   13.3085(8)
_cell_length_c                   15.5256(8)
_cell_measurement_reflns_used    7575
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      2.64
_cell_volume                     1544.87(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0204
_diffrn_reflns_av_sigmaI/netI    0.0181
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28535
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.39
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.550
_exptl_absorpt_correction_T_max  0.34
_exptl_absorpt_correction_T_min  0.21
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'program SADABS, V2.10'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.336
_refine_diff_density_min         -1.318
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         8954
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0216
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0247P)²+1.8343P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0543
_reflns_number_gt                8623
_reflns_number_total             8954
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0600644si20060122_054457.cif
_cod_data_source_block           7b-1111
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4075122
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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 Mo 0.27747(2) 0.510380(14) 0.216098(11) 0.01425(4) Uani 1 1 d U
I1 I 0.060014(17) 0.507736(11) 0.355858(9) 0.01867(3) Uani 1 1 d U
P1 P 0.12872(7) 0.30788(4) 0.16175(4) 0.01653(9) Uani 1 1 d U
P2 P 0.47410(7) 0.67819(4) 0.32558(3) 0.01493(9) Uani 1 1 d U
O1 O 0.5199(2) 0.44544(16) 0.07764(12) 0.0293(4) Uani 1 1 d U
O2 O 0.3620(2) 0.67989(15) 0.09967(12) 0.0297(4) Uani 1 1 d U
O3 O -0.0753(2) 0.51441(15) 0.12538(12) 0.0275(3) Uani 1 1 d U
N1 N 0.4248(2) 0.44356(14) 0.30081(11) 0.0157(3) Uani 1 1 d U
N2 N 0.2861(2) 0.26929(15) 0.20689(13) 0.0208(3) Uani 1 1 d U
H2N H 0.2953 0.2053 0.1823 0.025 Uiso 1 1 calc R
N3 N 0.5557(2) 0.61753(15) 0.39453(12) 0.0174(3) Uani 1 1 d U
H3N H 0.6137 0.6582 0.4461 0.021 Uiso 1 1 calc R
C1 C 0.4014(3) 0.33472(17) 0.28135(14) 0.0173(4) Uani 1 1 d U
C2 C 0.4912(3) 0.28940(18) 0.33218(15) 0.0198(4) Uani 1 1 d U
H2 H 0.4725 0.2133 0.3176 0.024 Uiso 1 1 calc R
C3 C 0.6081(3) 0.35770(18) 0.40436(14) 0.0196(4) Uani 1 1 d U
H3 H 0.6736 0.3287 0.4386 0.023 Uiso 1 1 calc R
C4 C 0.6303(3) 0.46765(18) 0.42709(14) 0.0179(4) Uani 1 1 d U
H4 H 0.7081 0.5145 0.4776 0.021 Uiso 1 1 calc R
C5 C 0.5361(3) 0.50852(16) 0.37426(13) 0.0155(3) Uani 1 1 d U
C6 C 0.0874(3) 0.23974(18) 0.04094(14) 0.0210(4) Uani 1 1 d U
H6 H -0.0243 0.1782 0.0325 0.025 Uiso 1 1 calc R
C7 C 0.0559(3) 0.3143(2) -0.01555(16) 0.0266(5) Uani 1 1 d U
H7A H 0.0335 0.2753 -0.0785 0.040 Uiso 1 1 calc R
H7B H 0.1592 0.3791 -0.0062 0.040 Uiso 1 1 calc R
H7C H -0.0451 0.3362 0.0019 0.040 Uiso 1 1 calc R
C8 C 0.2239(4) 0.1891(2) 0.00636(17) 0.0315(5) Uani 1 1 d U
H8A H 0.1914 0.1541 -0.0572 0.047 Uiso 1 1 calc R
H8B H 0.2305 0.1348 0.0387 0.047 Uiso 1 1 calc R
H8C H 0.3377 0.2460 0.0153 0.047 Uiso 1 1 calc R
C9 C -0.0722(3) 0.23919(18) 0.20402(15) 0.0207(4) Uani 1 1 d U
H9 H -0.0567 0.2711 0.2697 0.025 Uiso 1 1 calc R
C10 C -0.2282(3) 0.26408(19) 0.16443(17) 0.0243(4) Uani 1 1 d U
H10A H -0.3341 0.2272 0.1878 0.036 Uiso 1 1 calc R
H10B H -0.2429 0.2381 0.0995 0.036 Uiso 1 1 calc R
H10C H -0.2070 0.3428 0.1808 0.036 Uiso 1 1 calc R
C11 C -0.1034(3) 0.11700(19) 0.19008(17) 0.0255(4) Uani 1 1 d U
H11A H -0.2105 0.0840 0.2144 0.038 Uiso 1 1 calc R
H11B H -0.0046 0.1057 0.2206 0.038 Uiso 1 1 calc R
H11C H -0.1151 0.0831 0.1263 0.038 Uiso 1 1 calc R
C12 C 0.6800(3) 0.76611(17) 0.29850(15) 0.0196(4) Uani 1 1 d U
H12 H 0.7571 0.8003 0.3563 0.024 Uiso 1 1 calc R
C13 C 0.6716(3) 0.8602(2) 0.25959(18) 0.0280(5) Uani 1 1 d U
H13A H 0.7886 0.9000 0.2483 0.042 Uiso 1 1 calc R
H13B H 0.6276 0.9095 0.3018 0.042 Uiso 1 1 calc R
H13C H 0.5933 0.8318 0.2036 0.042 Uiso 1 1 calc R
C14 C 0.7721(3) 0.6959(2) 0.24111(17) 0.0258(4) Uani 1 1 d U
H14A H 0.8808 0.7428 0.2268 0.039 Uiso 1 1 calc R
H14B H 0.6960 0.6533 0.1860 0.039 Uiso 1 1 calc R
H14C H 0.7986 0.6464 0.2738 0.039 Uiso 1 1 calc R
C15 C 0.3763(3) 0.76868(17) 0.39672(14) 0.0185(4) Uani 1 1 d U
H15 H 0.2902 0.7216 0.4273 0.022 Uiso 1 1 calc R
C16 C 0.2703(3) 0.8144(2) 0.34085(17) 0.0265(5) Uani 1 1 d U
H16A H 0.2186 0.8618 0.3803 0.040 Uiso 1 1 calc R
H16B H 0.1774 0.7543 0.3012 0.040 Uiso 1 1 calc R
H16C H 0.3470 0.8565 0.3053 0.040 Uiso 1 1 calc R
C17 C 0.5052(3) 0.85665(18) 0.47077(16) 0.0238(4) Uani 1 1 d U
H17A H 0.4438 0.9013 0.5060 0.036 Uiso 1 1 calc R
H17B H 0.5973 0.9028 0.4445 0.036 Uiso 1 1 calc R
H17C H 0.5572 0.8223 0.5093 0.036 Uiso 1 1 calc R
C18 C 0.4326(3) 0.46874(18) 0.12619(15) 0.0221(4) Uani 1 1 d U
C19 C 0.3320(3) 0.62013(18) 0.14448(15) 0.0213(4) Uani 1 1 d U
C20 C 0.0525(3) 0.51293(18) 0.15796(15) 0.0209(4) Uani 1 1 d U
I2 I 0.5000 0.0000 0.0000 0.02999(5) Uani 1 2 d SU
I3 I 0.30199(3) -0.018472(13) 0.151626(13) 0.03383(4) Uani 1 1 d U
I4 I 1.0000 1.0000 0.5000 0.02163(4) Uani 1 2 d SU
I5 I 0.96962(2) 0.793035(13) 0.545772(10) 0.02624(4) Uani 1 1 d U
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'
I I -0.4742 1.8119 '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_3
C19 Mo C20 71.29(9) .
C19 Mo C18 72.28(9) .
C20 Mo C18 112.23(9) .
C19 Mo N1 137.39(8) .
C20 Mo N1 151.29(8) .
C18 Mo N1 82.49(8) .
C19 Mo P2 77.10(7) .
C20 Mo P2 119.70(6) .
C18 Mo P2 104.69(7) .
N1 Mo P2 76.87(5) .
C19 Mo P1 127.82(7) .
C20 Mo P1 81.62(7) .
C18 Mo P1 78.46(7) .
N1 Mo P1 77.33(5) .
P2 Mo P1 153.322(18) .
C19 Mo I1 125.57(6) .
C20 Mo I1 76.55(6) .
C18 Mo I1 162.12(6) .
N1 Mo I1 83.32(4) .
P2 Mo I1 82.531(13) .
P1 Mo I1 87.850(13) .
N2 P1 C9 105.26(10) .
N2 P1 C6 107.23(10) .
C9 P1 C6 103.08(10) .
N2 P1 Mo 96.99(7) .
C9 P1 Mo 121.20(7) .
C6 P1 Mo 121.11(7) .
N3 P2 C15 105.53(9) .
N3 P2 C12 99.82(10) .
C15 P2 C12 106.74(10) .
N3 P2 Mo 98.91(7) .
C15 P2 Mo 119.02(7) .
C12 P2 Mo 122.91(7) .
C5 N1 C1 118.12(17) .
C5 N1 Mo 121.70(13) .
C1 N1 Mo 120.15(14) .
C1 N2 P1 122.55(15) .
C1 N2 H2N 118.7 .
P1 N2 H2N 118.7 .
C5 N3 P2 123.54(15) .
C5 N3 H3N 118.2 .
P2 N3 H3N 118.2 .
N1 C1 N2 117.52(18) .
N1 C1 C2 122.1(2) .
N2 C1 C2 120.31(19) .
C3 C2 C1 118.5(2) .
C3 C2 H2 120.7 .
C1 C2 H2 120.7 .
C4 C3 C2 120.48(19) .
C4 C3 H3 119.8 .
C2 C3 H3 119.8 .
C3 C4 C5 118.6(2) .
C3 C4 H4 120.7 .
C5 C4 H4 120.7 .
N1 C5 N3 117.71(18) .
N1 C5 C4 122.10(19) .
N3 C5 C4 120.18(19) .
C8 C6 C7 111.2(2) .
C8 C6 P1 114.69(17) .
C7 C6 P1 111.95(15) .
C8 C6 H6 106.1 .
C7 C6 H6 106.1 .
P1 C6 H6 106.1 .
C6 C7 H7A 109.5 .
C6 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C6 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C6 C8 H8A 109.5 .
C6 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C6 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C11 C9 C10 112.73(18) .
C11 C9 P1 112.27(16) .
C10 C9 P1 110.43(15) .
C11 C9 H9 107.0 .
C10 C9 H9 107.0 .
P1 C9 H9 107.0 .
C9 C10 H10A 109.5 .
C9 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C9 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
C9 C11 H11A 109.5 .
C9 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C9 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C13 C12 C14 111.32(19) .
C13 C12 P2 117.72(16) .
C14 C12 P2 109.82(15) .
C13 C12 H12 105.7 .
C14 C12 H12 105.7 .
P2 C12 H12 105.7 .
C12 C13 H13A 109.5 .
C12 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C12 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C12 C14 H14A 109.5 .
C12 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C12 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C17 C15 C16 113.03(19) .
C17 C15 P2 114.13(15) .
C16 C15 P2 111.09(15) .
C17 C15 H15 105.9 .
C16 C15 H15 105.9 .
P2 C15 H15 105.9 .
C15 C16 H16A 109.5 .
C15 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C15 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C15 C17 H17A 109.5 .
C15 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C15 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
O1 C18 Mo 178.8(2) .
O2 C19 Mo 176.9(2) .
O3 C20 Mo 179.7(2) .
I3 I2 I3 180.000(8) 2_655
I5 I4 I5 180.0 2_776
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo C19 1.984(2) .
Mo C20 2.012(2) .
Mo C18 2.019(2) .
Mo N1 2.2295(17) .
Mo P2 2.5163(6) .
Mo P1 2.5211(6) .
Mo I1 2.8556(2) .
P1 N2 1.6913(19) .
P1 C9 1.837(2) .
P1 C6 1.860(2) .
P2 N3 1.6966(18) .
P2 C15 1.835(2) .
P2 C12 1.851(2) .
O1 C18 1.114(3) .
O2 C19 1.148(3) .
O3 C20 1.140(3) .
N1 C5 1.363(3) .
N1 C1 1.364(3) .
N2 C1 1.390(3) .
N2 H2N 0.8800 .
N3 C5 1.372(3) .
N3 H3N 0.8800 .
C1 C2 1.394(3) .
C2 C3 1.382(3) .
C2 H2 0.9500 .
C3 C4 1.380(3) .
C3 H3 0.9500 .
C4 C5 1.395(3) .
C4 H4 0.9500 .
C6 C8 1.520(3) .
C6 C7 1.529(3) .
C6 H6 1.0000 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C11 1.531(3) .
C9 C10 1.537(3) .
C9 H9 1.0000 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.524(3) .
C12 C14 1.530(3) .
C12 H12 1.0000 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C17 1.529(3) .
C15 C16 1.532(3) .
C15 H15 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
I2 I3 2.9210(2) .
I2 I3 2.9210(2) 2_655
I4 I5 2.9363(2) .
I4 I5 2.9363(2) 2_776
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N2 H2N I3 0.88 2.93 3.7782(18) 163.1
N3 H3N I5 0.88 3.03 3.7860(18) 145.6
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
C19 Mo P1 N2 125.21(11)
C20 Mo P1 N2 -176.45(10)
C18 Mo P1 N2 68.69(9)
N1 Mo P1 N2 -16.10(8)
P2 Mo P1 N2 -31.11(9)
I1 Mo P1 N2 -99.73(7)
C19 Mo P1 C9 -122.19(12)
C20 Mo P1 C9 -63.85(11)
C18 Mo P1 C9 -178.71(11)
N1 Mo P1 C9 96.50(10)
P2 Mo P1 C9 81.49(10)
I1 Mo P1 C9 12.86(9)
C19 Mo P1 C6 10.21(12)
C20 Mo P1 C6 68.56(11)
C18 Mo P1 C6 -46.30(11)
N1 Mo P1 C6 -131.09(10)
P2 Mo P1 C6 -146.10(9)
I1 Mo P1 C6 145.27(9)
C19 Mo P2 N3 -153.94(9)
C20 Mo P2 N3 146.69(10)
C18 Mo P2 N3 -86.45(9)
N1 Mo P2 N3 -7.97(8)
P1 Mo P2 N3 7.07(8)
I1 Mo P2 N3 76.87(6)
C19 Mo P2 C15 92.68(10)
C20 Mo P2 C15 33.31(11)
C18 Mo P2 C15 160.17(10)
N1 Mo P2 C15 -121.36(9)
P1 Mo P2 C15 -106.32(9)
I1 Mo P2 C15 -36.52(8)
C19 Mo P2 C12 -46.05(11)
C20 Mo P2 C12 -105.42(11)
C18 Mo P2 C12 21.45(11)
N1 Mo P2 C12 99.92(10)
P1 Mo P2 C12 114.96(9)
I1 Mo P2 C12 -175.24(9)
C19 Mo N1 C5 59.56(19)
C20 Mo N1 C5 -123.43(19)
C18 Mo N1 C5 112.93(16)
P2 Mo N1 C5 5.87(14)
P1 Mo N1 C5 -167.27(15)
I1 Mo N1 C5 -77.98(14)
C19 Mo N1 C1 -122.33(17)
C20 Mo N1 C1 54.7(2)
C18 Mo N1 C1 -68.96(16)
P2 Mo N1 C1 -176.03(15)
P1 Mo N1 C1 10.83(14)
I1 Mo N1 C1 100.12(15)
C9 P1 N2 C1 -99.51(19)
C6 P1 N2 C1 151.21(17)
Mo P1 N2 C1 25.55(18)
C15 P2 N3 C5 135.92(17)
C12 P2 N3 C5 -113.50(17)
Mo P2 N3 C5 12.32(17)
C5 N1 C1 N2 179.28(18)
Mo N1 C1 N2 1.1(2)
C5 N1 C1 C2 -2.1(3)
Mo N1 C1 C2 179.71(15)
P1 N2 C1 N1 -21.1(3)
P1 N2 C1 C2 160.26(17)
N1 C1 C2 C3 -0.3(3)
N2 C1 C2 C3 178.32(19)
C1 C2 C3 C4 2.2(3)
C2 C3 C4 C5 -1.8(3)
C1 N1 C5 N3 -178.47(18)
Mo N1 C5 N3 -0.3(2)
C1 N1 C5 C4 2.6(3)
Mo N1 C5 C4 -179.27(14)
P2 N3 C5 N1 -9.6(3)
P2 N3 C5 C4 169.39(15)
C3 C4 C5 N1 -0.7(3)
C3 C4 C5 N3 -179.59(19)
N2 P1 C6 C8 -13.2(2)
C9 P1 C6 C8 -124.00(19)
Mo P1 C6 C8 96.42(18)
N2 P1 C6 C7 -141.15(17)
C9 P1 C6 C7 108.07(18)
Mo P1 C6 C7 -31.5(2)
N2 P1 C9 C11 -50.92(18)
C6 P1 C9 C11 61.33(18)
Mo P1 C9 C11 -159.14(13)
N2 P1 C9 C10 -177.66(15)
C6 P1 C9 C10 -65.41(17)
Mo P1 C9 C10 74.12(17)
N3 P2 C12 C13 -162.42(18)
C15 P2 C12 C13 -52.8(2)
Mo P2 C12 C13 90.16(18)
N3 P2 C12 C14 68.83(17)
C15 P2 C12 C14 178.46(16)
Mo P2 C12 C14 -38.59(19)
N3 P2 C15 C17 60.42(18)
C12 P2 C15 C17 -45.16(18)
Mo P2 C15 C17 170.18(13)
N3 P2 C15 C16 -170.37(15)
C12 P2 C15 C16 84.05(17)
Mo P2 C15 C16 -60.61(17)
