#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:27:00 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178565 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/74/4067425.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_4067425
loop_
_publ_author_name
'Amarante, Tatiana R.'
'Neves, Patrícia'
'Coelho, Ana C.'
'Gago, Sandra'
'Valente, Anabela A.'
'Almeida Paz, Filipe A.'
'Pillinger, Martyn'
'Gonçalves, Isabel S.'
_publ_section_title
;
 Investigation of Molybdenum Tetracarbonyl Complexes As Precursors to
 MoVICatalysts for the Epoxidation of Olefins
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              883
_journal_paper_doi               10.1021/om900948r
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C72 H96 Mo8 N8 O24, 10(C H2 Cl2)'
_chemical_formula_sum            'C82 H116 Cl20 Mo8 N8 O24'
_chemical_formula_weight         3074.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '08 October 2009'
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.5771(6)
_cell_length_b                   27.5771(6)
_cell_length_c                   31.4506(8)
_cell_measurement_reflns_used    9623
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.09
_cell_measurement_theta_min      2.31
_cell_volume                     23918.1(10)
_computing_cell_refinement       'APEX2 '
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT+ (Bruker, 1997-2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXTL '
_computing_structure_refinement  'SHELXTL '
_computing_structure_solution    'SHELXTL (Bruker 2001)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'omega/phi 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  0.0675
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            523071
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         3.55
_exptl_absorpt_coefficient_mu    1.322
_exptl_absorpt_correction_T_max  0.8164
_exptl_absorpt_correction_T_min  0.7421
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             12256
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         3.571
_refine_diff_density_min         -2.112
_refine_diff_density_rms         0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         16062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.1724
_refine_ls_R_factor_gt           0.0865
_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)+(0.0530P)²+1240.2795P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1833
_refine_ls_wR_factor_ref         0.2563
_reflns_number_gt                9562
_reflns_number_total             16062
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om900948r_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_H-M      'I 41/a'
_cod_database_code               4067425
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+3/4, x+1/4, z+1/4'
'-x+1/2, -y, z+1/2'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'-x+1, -y+1/2, z+1'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'y-3/4, -x-1/4, -z-1/4'
'x-1/2, y, -z-1/2'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'x, y+1/2, -z'
'-y-1/4, x-1/4, -z-1/4'
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
Mo1 Mo -0.00785(3) 0.19363(3) 0.16626(2) 0.01990(16) Uani 1 1 d .
Mo2 Mo 0.08294(3) 0.11476(3) 0.11299(3) 0.0305(2) Uani 1 1 d .
O1 O -0.0722(2) 0.1658(2) 0.1558(2) 0.0253(13) Uani 1 1 d .
O2 O -0.0118(2) 0.2059(2) 0.09369(19) 0.0223(12) Uani 1 1 d .
O3 O -0.0103(2) 0.1934(2) 0.2202(2) 0.0291(14) Uani 1 1 d .
O4 O 0.0238(2) 0.1397(2) 0.1525(2) 0.0260(13) Uani 1 1 d .
O5 O 0.0462(3) 0.0834(3) 0.0799(2) 0.0446(19) Uani 1 1 d .
O6 O 0.1407(3) 0.0952(3) 0.1014(3) 0.047(2) Uani 1 1 d .
N1 N 0.1129(3) 0.1383(3) 0.1788(3) 0.039(2) Uani 1 1 d .
N2 N 0.0727(3) 0.0549(3) 0.1606(3) 0.0319(18) Uani 1 1 d .
Mo3 Mo 0.05635(2) 0.74439(2) 0.41681(2) 0.01478(15) Uani 1 1 d .
Mo4 Mo 0.07549(3) 0.61498(2) 0.39609(2) 0.02068(17) Uani 1 1 d .
O7 O 0.05541(19) 0.7423(2) 0.47067(18) 0.0201(11) Uani 1 1 d .
O8 O 0.11002(19) 0.7769(2) 0.40377(18) 0.0190(11) Uani 1 1 d .
O9 O 0.04409(19) 0.73972(18) 0.34364(18) 0.0164(11) Uani 1 1 d .
O10 O 0.08418(19) 0.6799(2) 0.40725(18) 0.0200(11) Uani 1 1 d .
O11 O 0.1255(2) 0.5899(2) 0.4192(2) 0.0290(14) Uani 1 1 d .
O12 O 0.0271(2) 0.5943(2) 0.4256(2) 0.0280(14) Uani 1 1 d .
N3 N 0.1219(3) 0.6223(3) 0.3365(2) 0.0247(15) Uani 1 1 d .
N4 N 0.0696(3) 0.5473(3) 0.3571(3) 0.0255(15) Uani 1 1 d .
C19 C 0.2300(4) 0.6255(4) 0.2378(4) 0.044(3) Uani 1 1 d .
C20 C 0.1904(4) 0.6251(4) 0.2714(3) 0.035(2) Uani 1 1 d .
C21 C 0.1780(4) 0.6660(4) 0.2948(3) 0.035(2) Uani 1 1 d .
H21 H 0.1932 0.6961 0.2889 0.043 Uiso 1 1 calc R
C22 C 0.1439(3) 0.6632(3) 0.3262(3) 0.0270(19) Uani 1 1 d .
H22 H 0.1358 0.6919 0.3414 0.032 Uiso 1 1 calc R
C23 C 0.1647(4) 0.5831(4) 0.2809(3) 0.036(2) Uani 1 1 d .
H23 H 0.1709 0.5544 0.2652 0.043 Uiso 1 1 calc R
C24 C 0.1303(3) 0.5826(3) 0.3129(3) 0.0291(19) Uani 1 1 d .
C25 C 0.1003(3) 0.5395(3) 0.3247(3) 0.0277(19) Uani 1 1 d .
C26 C 0.1031(4) 0.4954(4) 0.3047(4) 0.037(2) Uani 1 1 d .
H26 H 0.1257 0.4909 0.2822 0.044 Uiso 1 1 calc R
C27 C 0.0728(4) 0.4571(4) 0.3171(4) 0.044(3) Uani 1 1 d .
C28 C 0.0396(4) 0.4666(4) 0.3489(4) 0.043(3) Uani 1 1 d .
H28 H 0.0167 0.4426 0.3571 0.052 Uiso 1 1 calc R
C29 C 0.0397(4) 0.5108(3) 0.3684(3) 0.033(2) Uani 1 1 d .
H29 H 0.0177 0.5161 0.3912 0.039 Uiso 1 1 calc R
C30 C 0.0751(5) 0.4081(4) 0.2939(5) 0.062(4) Uani 1 1 d .
C31 C 0.2546(6) 0.6752(5) 0.2345(5) 0.074(5) Uani 1 1 d .
H31A H 0.2825 0.6730 0.2153 0.110 Uiso 1 1 calc R
H31B H 0.2656 0.6855 0.2627 0.110 Uiso 1 1 calc R
H31C H 0.2314 0.6990 0.2233 0.110 Uiso 1 1 calc R
C32 C 0.2093(7) 0.6132(8) 0.1953(5) 0.096(7) Uani 1 1 d .
H32A H 0.1952 0.5806 0.1963 0.143 Uiso 1 1 calc R
H32B H 0.2350 0.6142 0.1739 0.143 Uiso 1 1 calc R
H32C H 0.1840 0.6368 0.1880 0.143 Uiso 1 1 calc R
C33 C 0.2680(6) 0.5871(6) 0.2500(6) 0.084(6) Uani 1 1 d .
H33A H 0.2537 0.5547 0.2478 0.126 Uiso 1 1 calc R
H33B H 0.2788 0.5927 0.2793 0.126 Uiso 1 1 calc R
H33C H 0.2959 0.5895 0.2307 0.126 Uiso 1 1 calc R
C34 C 0.0739(9) 0.4140(8) 0.2472(6) 0.137(12) Uani 1 1 d .
H34A H 0.0731 0.3820 0.2337 0.206 Uiso 1 1 calc R
H34B H 0.1028 0.4316 0.2379 0.206 Uiso 1 1 calc R
H34C H 0.0448 0.4322 0.2391 0.206 Uiso 1 1 calc R
C35 C 0.1253(8) 0.3851(6) 0.3066(12) 0.169(15) Uani 1 1 d .
H35A H 0.1280 0.3527 0.2941 0.253 Uiso 1 1 calc R
H35B H 0.1274 0.3826 0.3376 0.253 Uiso 1 1 calc R
H35C H 0.1516 0.4056 0.2961 0.253 Uiso 1 1 calc R
C36 C 0.0343(6) 0.3749(5) 0.3073(5) 0.069(4) Uani 1 1 d .
H36A H 0.0032 0.3919 0.3045 0.103 Uiso 1 1 calc R
H36B H 0.0390 0.3652 0.3370 0.103 Uiso 1 1 calc R
H36C H 0.0341 0.3460 0.2892 0.103 Uiso 1 1 calc R
C1 C 0.1141(6) 0.1996(5) 0.3062(4) 0.062(4) Uani 1 1 d .
C2 C 0.1157(4) 0.1763(4) 0.2631(4) 0.046(3) Uani 1 1 d .
C3 C 0.1310(4) 0.2038(4) 0.2277(4) 0.047(3) Uani 1 1 d .
H3 H 0.1435 0.2356 0.2315 0.057 Uiso 1 1 calc R
C4 C 0.1277(4) 0.1841(4) 0.1871(4) 0.040(2) Uani 1 1 d .
H4 H 0.1363 0.2041 0.1637 0.048 Uiso 1 1 calc R
C5 C 0.1022(4) 0.1286(4) 0.2550(4) 0.043(3) Uani 1 1 d .
H5 H 0.0943 0.1077 0.2779 0.052 Uiso 1 1 calc R
C6 C 0.1000(4) 0.1116(4) 0.2141(4) 0.036(2) Uani 1 1 d .
C7 C 0.0821(4) 0.0622(4) 0.2023(3) 0.035(2) Uani 1 1 d .
C8 C 0.0756(4) 0.0247(4) 0.2320(4) 0.040(2) Uani 1 1 d .
H8 H 0.0827 0.0303 0.2611 0.048 Uiso 1 1 calc R
C9 C 0.0586(4) -0.0208(4) 0.2191(4) 0.041(2) Uani 1 1 d .
C10 C 0.0484(4) -0.0265(4) 0.1758(4) 0.041(2) Uani 1 1 d .
H10 H 0.0365 -0.0566 0.1655 0.049 Uiso 1 1 calc R
C11 C 0.0555(5) 0.0116(4) 0.1479(4) 0.043(3) Uani 1 1 d .
H11 H 0.0481 0.0070 0.1187 0.052 Uiso 1 1 calc R
C12 C 0.0489(5) -0.0631(4) 0.2491(4) 0.050(3) Uani 1 1 d .
C13 C 0.0682(7) 0.2321(7) 0.3058(6) 0.093(6) Uani 1 1 d .
H13A H 0.0715 0.2570 0.2838 0.140 Uiso 1 1 calc R
H13B H 0.0644 0.2476 0.3337 0.140 Uiso 1 1 calc R
H13C H 0.0396 0.2121 0.2998 0.140 Uiso 1 1 calc R
C14 C 0.1571(7) 0.2319(7) 0.3154(5) 0.093(7) Uani 1 1 d .
H14A H 0.1871 0.2130 0.3128 0.140 Uiso 1 1 calc R
H14B H 0.1544 0.2447 0.3444 0.140 Uiso 1 1 calc R
H14C H 0.1577 0.2588 0.2951 0.140 Uiso 1 1 calc R
C15 C 0.1112(8) 0.1633(6) 0.3418(5) 0.083(6) Uani 1 1 d .
H15A H 0.0844 0.1408 0.3364 0.124 Uiso 1 1 calc R
H15B H 0.1055 0.1804 0.3687 0.124 Uiso 1 1 calc R
H15C H 0.1417 0.1452 0.3436 0.124 Uiso 1 1 calc R
C16 C 0.0638(7) -0.0500(5) 0.2951(5) 0.070(4) Uani 1 1 d .
H16A H 0.0555 -0.0769 0.3142 0.105 Uiso 1 1 calc R
H16B H 0.0465 -0.0207 0.3041 0.105 Uiso 1 1 calc R
H16C H 0.0988 -0.0442 0.2962 0.105 Uiso 1 1 calc R
C17 C 0.0787(5) -0.1055(5) 0.2352(5) 0.057(3) Uani 1 1 d .
H17A H 0.0673 -0.1168 0.2074 0.085 Uiso 1 1 calc R
H17B H 0.0755 -0.1318 0.2560 0.085 Uiso 1 1 calc R
H17C H 0.1128 -0.0958 0.2330 0.085 Uiso 1 1 calc R
C18 C -0.0049(4) -0.0749(5) 0.2479(5) 0.057(4) Uani 1 1 d .
H18A H -0.0131 -0.0892 0.2203 0.086 Uiso 1 1 calc R
H18B H -0.0236 -0.0450 0.2520 0.086 Uiso 1 1 calc R
H18C H -0.0126 -0.0979 0.2706 0.086 Uiso 1 1 calc R
Cl1 Cl 0.09339(18) 0.03351(19) 0.38379(18) 0.0918(14) Uani 1 1 d .
Cl2 Cl 0.1730(2) 0.0234(2) 0.32457(19) 0.1114(19) Uani 1 1 d .
C37 C 0.1457(6) -0.0003(7) 0.3699(5) 0.081(5) Uani 1 1 d .
H37A H 0.1691 0.0004 0.3938 0.097 Uiso 1 1 calc R
H37B H 0.1365 -0.0345 0.3647 0.097 Uiso 1 1 calc R
Cl3 Cl 0.1835(2) -0.0030(3) 0.1698(3) 0.142(3) Uani 1 1 d .
Cl4 Cl 0.2828(2) 0.0201(2) 0.1510(2) 0.1124(18) Uani 1 1 d .
C38 C 0.2250(7) 0.0410(9) 0.1527(9) 0.121(9) Uani 1 1 d .
H38A H 0.2156 0.0523 0.1239 0.145 Uiso 1 1 calc R
H38B H 0.2235 0.0692 0.1721 0.145 Uiso 1 1 calc R
Cl5 Cl 0.1231(6) -0.0166(4) 0.0038(4) 0.275(7) Uani 1 1 d .
Cl6 Cl 0.2074(3) 0.0367(3) 0.0243(3) 0.176(4) Uani 1 1 d .
C39 C 0.1475(10) 0.0222(10) 0.0343(10) 0.152(12) Uani 1 1 d .
H39A H 0.1452 0.0100 0.0638 0.182 Uiso 1 1 calc R
H39B H 0.1282 0.0524 0.0328 0.182 Uiso 1 1 calc R
Cl7 Cl 0.2489(2) 0.1801(3) 0.1504(3) 0.137(2) Uani 1 1 d .
Cl8 Cl 0.2786(4) 0.1443(4) 0.0700(3) 0.191(4) Uani 1 1 d .
C40 C 0.2323(9) 0.1699(8) 0.0997(8) 0.116(8) Uani 1 1 d .
H40A H 0.2225 0.2009 0.0865 0.139 Uiso 1 1 calc R
H40B H 0.2039 0.1479 0.0994 0.139 Uiso 1 1 calc R
Cl9 Cl 0.4316(3) 0.1681(4) 0.0453(4) 0.251(7) Uani 1 1 d .
Cl10 Cl 0.5203(2) 0.1210(2) 0.0483(2) 0.123(2) Uani 1 1 d .
C41 C 0.4871(7) 0.1648(7) 0.0236(7) 0.105(7) Uani 1 1 d .
H41A H 0.5037 0.1965 0.0265 0.126 Uiso 1 1 calc R
H41B H 0.4843 0.1572 -0.0070 0.126 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'
Cl Cl 0.1484 0.1585 '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'
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'
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
O3 Mo1 O4 105.1(3) . .
O3 Mo1 O2 101.2(3) . 12_666
O4 Mo1 O2 97.5(3) . 12_666
O3 Mo1 O1 97.5(3) . .
O4 Mo1 O1 94.4(3) . .
O2 Mo1 O1 154.3(3) 12_666 .
O3 Mo1 O2 97.5(3) . 14
O4 Mo1 O2 157.4(3) . 14
O2 Mo1 O2 76.3(3) 12_666 14
O1 Mo1 O2 84.0(2) . 14
O3 Mo1 O2 170.4(3) . .
O4 Mo1 O2 84.5(3) . .
O2 Mo1 O2 77.3(3) 12_666 .
O1 Mo1 O2 81.3(2) . .
O2 Mo1 O2 73.0(2) 14 .
O3 Mo1 Mo1 90.5(2) . 7_454
O4 Mo1 Mo1 139.5(2) . 7_454
O2 Mo1 Mo1 42.31(17) 12_666 7_454
O1 Mo1 Mo1 120.79(18) . 7_454
O2 Mo1 Mo1 36.80(16) 14 7_454
O2 Mo1 Mo1 82.06(14) . 7_454
O5 Mo2 O6 105.3(4) . .
O5 Mo2 O1 107.2(3) . 12_666
O6 Mo2 O1 102.2(3) . 12_666
O5 Mo2 O4 93.7(3) . .
O6 Mo2 O4 156.9(4) . .
O1 Mo2 O4 84.1(2) 12_666 .
O5 Mo2 N2 87.7(3) . .
O6 Mo2 N2 91.6(3) . .
O1 Mo2 N2 155.8(3) 12_666 .
O4 Mo2 N2 75.9(3) . .
O5 Mo2 N1 154.9(3) . .
O6 Mo2 N1 87.0(4) . .
O1 Mo2 N1 90.9(3) 12_666 .
O4 Mo2 N1 70.6(3) . .
N2 Mo2 N1 69.9(3) . .
Mo2 O1 Mo1 154.6(4) 14 .
Mo1 O2 Mo1 100.9(3) 14 12_666
Mo1 O2 Mo1 107.5(3) 14 .
Mo1 O2 Mo1 99.8(2) 12_666 .
Mo1 O4 Mo2 140.9(3) . .
C4 N1 C6 114.9(10) . .
C4 N1 Mo2 122.7(7) . .
C6 N1 Mo2 118.5(6) . .
C11 N2 C7 119.1(9) . .
C11 N2 Mo2 120.0(7) . .
C7 N2 Mo2 120.9(6) . .
O7 Mo3 O8 105.1(3) . .
O7 Mo3 O9 100.8(2) . 16_666
O8 Mo3 O9 98.8(2) . 16_666
O7 Mo3 O10 97.4(3) . .
O8 Mo3 O10 95.5(2) . .
O9 Mo3 O10 153.0(2) 16_666 .
O7 Mo3 O9 97.1(2) . 10_566
O8 Mo3 O9 157.8(2) . 10_566
O9 Mo3 O9 76.0(2) 16_666 10_566
O10 Mo3 O9 82.1(2) . 10_566
O7 Mo3 O9 169.4(2) . .
O8 Mo3 O9 85.5(2) . .
O9 Mo3 O9 76.8(2) 16_666 .
O10 Mo3 O9 81.7(2) . .
O9 Mo3 O9 72.4(2) 10_566 .
O7 Mo3 Mo3 89.32(18) . 7_464
O8 Mo3 Mo3 141.11(18) . 7_464
O9 Mo3 Mo3 42.45(16) 16_666 7_464
O10 Mo3 Mo3 118.65(16) . 7_464
O9 Mo3 Mo3 36.62(14) 10_566 7_464
O9 Mo3 Mo3 82.01(13) . 7_464
O11 Mo4 O12 105.2(3) . .
O11 Mo4 O10 102.0(3) . .
O12 Mo4 O10 108.7(3) . .
O11 Mo4 O8 159.1(3) . 10_566
O12 Mo4 O8 90.9(3) . 10_566
O10 Mo4 O8 84.8(2) . 10_566
O11 Mo4 N4 87.4(3) . .
O12 Mo4 N4 87.8(3) . .
O10 Mo4 N4 157.7(3) . .
O8 Mo4 N4 79.9(2) 10_566 .
O11 Mo4 N3 86.2(3) . .
O12 Mo4 N3 155.2(3) . .
O10 Mo4 N3 89.9(3) . .
O8 Mo4 N3 74.0(2) 10_566 .
N4 Mo4 N3 70.4(3) . .
Mo3 O8 Mo4 137.8(3) . 16_666
Mo3 O9 Mo3 100.9(2) 10_566 16_666
Mo3 O9 Mo3 108.2(2) 10_566 .
Mo3 O9 Mo3 100.1(2) 16_666 .
Mo4 O10 Mo3 149.4(3) . .
C22 N3 C24 118.9(8) . .
C22 N3 Mo4 122.3(6) . .
C24 N3 Mo4 118.6(6) . .
C25 N4 C29 117.8(8) . .
C25 N4 Mo4 120.1(6) . .
C29 N4 Mo4 121.5(6) . .
C32 C19 C20 110.2(11) . .
C32 C19 C31 108.1(12) . .
C20 C19 C31 111.9(9) . .
C32 C19 C33 109.2(14) . .
C20 C19 C33 108.2(10) . .
C31 C19 C33 109.3(12) . .
C23 C20 C21 115.8(9) . .
C23 C20 C19 121.6(9) . .
C21 C20 C19 122.7(9) . .
C22 C21 C20 120.6(9) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
N3 C22 C21 122.6(8) . .
N3 C22 H22 118.7 . .
C21 C22 H22 118.7 . .
C24 C23 C20 121.1(9) . .
C24 C23 H23 119.5 . .
C20 C23 H23 119.5 . .
N3 C24 C23 120.7(8) . .
N3 C24 C25 114.5(8) . .
C23 C24 C25 124.8(8) . .
N4 C25 C26 121.8(9) . .
N4 C25 C24 114.4(8) . .
C26 C25 C24 123.9(9) . .
C25 C26 C27 120.4(10) . .
C25 C26 H26 119.8 . .
C27 C26 H26 119.8 . .
C28 C27 C26 116.9(10) . .
C28 C27 C30 122.5(10) . .
C26 C27 C30 120.5(11) . .
C29 C28 C27 119.6(10) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
N4 C29 C28 123.4(10) . .
N4 C29 H29 118.3 . .
C28 C29 H29 118.3 . .
C34 C30 C36 109.1(13) . .
C34 C30 C27 112.0(14) . .
C36 C30 C27 111.8(11) . .
C34 C30 C35 108.4(18) . .
C36 C30 C35 109.8(15) . .
C27 C30 C35 105.6(12) . .
C19 C31 H31A 109.5 . .
C19 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C19 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C19 C32 H32A 109.5 . .
C19 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C19 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C19 C33 H33A 109.5 . .
C19 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C19 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C30 C34 H34A 109.5 . .
C30 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C30 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C30 C35 H35A 109.5 . .
C30 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C30 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C30 C36 H36A 109.5 . .
C30 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C30 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C2 C1 C15 113.0(11) . .
C2 C1 C14 113.8(14) . .
C15 C1 C14 106.9(13) . .
C2 C1 C13 105.4(12) . .
C15 C1 C13 110.1(16) . .
C14 C1 C13 107.6(14) . .
C5 C2 C3 116.4(11) . .
C5 C2 C1 124.2(12) . .
C3 C2 C1 119.4(11) . .
C4 C3 C2 119.5(10) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
N1 C4 C3 124.2(11) . .
N1 C4 H4 117.9 . .
C3 C4 H4 117.9 . .
C6 C5 C2 120.6(11) . .
C6 C5 H5 119.7 . .
C2 C5 H5 119.7 . .
C5 C6 N1 124.1(10) . .
C5 C6 C7 124.1(10) . .
N1 C6 C7 111.8(9) . .
N2 C7 C8 120.7(10) . .
N2 C7 C6 116.0(9) . .
C8 C7 C6 123.2(10) . .
C9 C8 C7 120.7(11) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C10 116.7(10) . .
C8 C9 C12 124.5(11) . .
C10 C9 C12 118.8(10) . .
C11 C10 C9 120.2(10) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
N2 C11 C10 122.5(10) . .
N2 C11 H11 118.7 . .
C10 C11 H11 118.7 . .
C17 C12 C18 111.3(11) . .
C17 C12 C9 108.7(10) . .
C18 C12 C9 108.6(10) . .
C17 C12 C16 108.1(11) . .
C18 C12 C16 109.5(12) . .
C9 C12 C16 110.7(10) . .
C1 C13 H13A 109.5 . .
C1 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C1 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C1 C14 H14A 109.5 . .
C1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C1 C15 H15A 109.5 . .
C1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C12 C16 H16A 109.5 . .
C12 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C12 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C12 C18 H18A 109.5 . .
C12 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C12 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Cl2 C37 Cl1 111.0(10) . .
Cl2 C37 H37A 109.4 . .
Cl1 C37 H37A 109.4 . .
Cl2 C37 H37B 109.4 . .
Cl1 C37 H37B 109.4 . .
H37A C37 H37B 108.0 . .
Cl4 C38 Cl3 112.8(13) . .
Cl4 C38 H38A 109.0 . .
Cl3 C38 H38A 109.0 . .
Cl4 C38 H38B 109.0 . .
Cl3 C38 H38B 109.0 . .
H38A C38 H38B 107.8 . .
Cl5 C39 Cl6 116.9(18) . .
Cl5 C39 H39A 108.1 . .
Cl6 C39 H39A 108.1 . .
Cl5 C39 H39B 108.1 . .
Cl6 C39 H39B 108.1 . .
H39A C39 H39B 107.3 . .
Cl7 C40 Cl8 112.4(15) . .
Cl7 C40 H40A 109.1 . .
Cl8 C40 H40A 109.1 . .
Cl7 C40 H40B 109.1 . .
Cl8 C40 H40B 109.1 . .
H40A C40 H40B 107.9 . .
Cl9 C41 Cl10 110.0(10) . .
Cl9 C41 H41A 109.7 . .
Cl10 C41 H41A 109.7 . .
Cl9 C41 H41B 109.7 . .
Cl10 C41 H41B 109.7 . .
H41A C41 H41B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O3 1.698(6) .
Mo1 O4 1.777(6) .
Mo1 O2 1.915(6) 12_666
Mo1 O1 1.960(6) .
Mo1 O2 2.152(6) 14
Mo1 O2 2.310(6) .
Mo1 Mo1 3.1391(14) 7_454
Mo2 O5 1.690(8) .
Mo2 O6 1.720(7) .
Mo2 O1 1.837(6) 12_666
Mo2 O4 2.163(6) .
Mo2 N2 2.246(8) .
Mo2 N1 2.322(10) .
O1 Mo2 1.837(6) 14
O2 Mo1 1.915(6) 14
O2 Mo1 2.152(6) 12_666
N1 C4 1.353(14) .
N1 C6 1.379(13) .
N2 C11 1.345(14) .
N2 C7 1.354(13) .
Mo3 O7 1.695(6) .
Mo3 O8 1.778(5) .
Mo3 O9 1.898(5) 16_666
Mo3 O10 1.960(6) .
Mo3 O9 2.147(5) 10_566
Mo3 O9 2.329(6) .
Mo3 Mo3 3.1235(12) 7_464
Mo4 O11 1.705(6) .
Mo4 O12 1.723(6) .
Mo4 O10 1.840(6) .
Mo4 O8 2.175(6) 10_566
Mo4 N4 2.239(7) .
Mo4 N3 2.280(7) .
O8 Mo4 2.175(6) 16_666
O9 Mo3 1.898(5) 10_566
O9 Mo3 2.147(5) 16_666
N3 C22 1.322(11) .
N3 C24 1.342(11) .
N4 C25 1.342(12) .
N4 C29 1.347(12) .
C19 C32 1.49(2) .
C19 C20 1.520(13) .
C19 C31 1.534(17) .
C19 C33 1.538(19) .
C20 C23 1.389(14) .
C20 C21 1.391(14) .
C21 C22 1.364(13) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C24 1.382(13) .
C23 H23 0.9500 .
C24 C25 1.495(13) .
C25 C26 1.373(13) .
C26 C27 1.403(15) .
C26 H26 0.9500 .
C27 C28 1.383(16) .
C27 C30 1.534(16) .
C28 C29 1.365(14) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 C34 1.48(3) .
C30 C36 1.511(18) .
C30 C35 1.57(2) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C1 C2 1.501(18) .
C1 C15 1.505(19) .
C1 C14 1.511(19) .
C1 C13 1.55(2) .
C2 C5 1.390(15) .
C2 C3 1.412(17) .
C3 C4 1.390(17) .
C3 H3 0.9500 .
C4 H4 0.9500 .
C5 C6 1.369(16) .
C5 H5 0.9500 .
C6 C7 1.496(14) .
C7 C8 1.404(14) .
C8 C9 1.400(16) .
C8 H8 0.9500 .
C9 C10 1.400(16) .
C9 C12 1.524(15) .
C10 C11 1.383(15) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C17 1.495(17) .
C12 C18 1.518(18) .
C12 C16 1.55(2) .
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 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
Cl1 C37 1.771(19) .
Cl2 C37 1.740(17) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
Cl3 C38 1.75(2) .
Cl4 C38 1.70(2) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
Cl5 C39 1.58(3) .
Cl6 C39 1.73(2) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
Cl7 C40 1.68(2) .
Cl8 C40 1.73(2) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
Cl9 C41 1.68(2) .
Cl10 C41 1.703(18) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
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_4
O3 Mo1 O1 Mo2 113.0(9) . 14
O4 Mo1 O1 Mo2 -141.1(9) . 14
O2 Mo1 O1 Mo2 -23.8(13) 12_666 14
O2 Mo1 O1 Mo2 16.2(9) 14 14
O2 Mo1 O1 Mo2 -57.4(9) . 14
Mo1 Mo1 O1 Mo2 17.9(10) 7_454 14
O4 Mo1 O2 Mo1 168.6(3) . 14
O2 Mo1 O2 Mo1 -92.44(8) 12_666 14
O1 Mo1 O2 Mo1 73.3(3) . 14
O2 Mo1 O2 Mo1 -13.1(3) 14 14
Mo1 Mo1 O2 Mo1 -49.7(2) 7_454 14
O4 Mo1 O2 Mo1 -86.6(3) . 12_666
O2 Mo1 O2 Mo1 12.4(3) 12_666 12_666
O1 Mo1 O2 Mo1 178.1(3) . 12_666
O2 Mo1 O2 Mo1 91.76(6) 14 12_666
Mo1 Mo1 O2 Mo1 55.16(17) 7_454 12_666
O3 Mo1 O4 Mo2 -131.1(5) . .
O2 Mo1 O4 Mo2 -27.3(6) 12_666 .
O1 Mo1 O4 Mo2 129.9(5) . .
O2 Mo1 O4 Mo2 45.0(10) 14 .
O2 Mo1 O4 Mo2 49.1(5) . .
Mo1 Mo1 O4 Mo2 -21.8(8) 7_454 .
O5 Mo2 O4 Mo1 -111.8(6) . .
O6 Mo2 O4 Mo1 102.6(9) . .
O1 Mo2 O4 Mo1 -4.9(6) 12_666 .
N2 Mo2 O4 Mo1 161.5(6) . .
N1 Mo2 O4 Mo1 88.2(6) . .
O5 Mo2 N1 C4 -143.6(10) . .
O6 Mo2 N1 C4 95.7(9) . .
O1 Mo2 N1 C4 -6.5(9) 12_666 .
O4 Mo2 N1 C4 -89.9(9) . .
N2 Mo2 N1 C4 -171.5(9) . .
O5 Mo2 N1 C6 12.9(13) . .
O6 Mo2 N1 C6 -107.7(8) . .
O1 Mo2 N1 C6 150.1(8) 12_666 .
O4 Mo2 N1 C6 66.7(8) . .
N2 Mo2 N1 C6 -14.9(7) . .
O5 Mo2 N2 C11 17.2(8) . .
O6 Mo2 N2 C11 -88.1(9) . .
O1 Mo2 N2 C11 146.6(8) 12_666 .
O4 Mo2 N2 C11 111.6(8) . .
N1 Mo2 N2 C11 -174.2(9) . .
O5 Mo2 N2 C7 -160.8(8) . .
O6 Mo2 N2 C7 94.0(8) . .
O1 Mo2 N2 C7 -31.4(12) 12_666 .
O4 Mo2 N2 C7 -66.4(7) . .
N1 Mo2 N2 C7 7.8(7) . .
O7 Mo3 O8 Mo4 -148.5(4) . 16_666
O9 Mo3 O8 Mo4 -44.8(5) 16_666 16_666
O10 Mo3 O8 Mo4 112.3(5) . 16_666
O9 Mo3 O8 Mo4 29.6(9) 10_566 16_666
O9 Mo3 O8 Mo4 31.1(4) . 16_666
Mo3 Mo3 O8 Mo4 -40.2(6) 7_464 16_666
O7 Mo3 O9 Mo3 -14.7(14) . 10_566
O8 Mo3 O9 Mo3 167.2(3) . 10_566
O9 Mo3 O9 Mo3 -92.6(3) 16_666 10_566
O10 Mo3 O9 Mo3 71.0(3) . 10_566
O9 Mo3 O9 Mo3 -13.3(3) 10_566 10_566
Mo3 Mo3 O9 Mo3 -49.7(2) 7_464 10_566
O7 Mo3 O9 Mo3 90.5(13) . 16_666
O8 Mo3 O9 Mo3 -87.6(2) . 16_666
O9 Mo3 O9 Mo3 12.6(2) 16_666 16_666
O10 Mo3 O9 Mo3 176.2(2) . 16_666
O9 Mo3 O9 Mo3 91.82(6) 10_566 16_666
Mo3 Mo3 O9 Mo3 55.50(15) 7_464 16_666
O11 Mo4 O10 Mo3 -152.2(6) . .
O12 Mo4 O10 Mo3 -41.4(7) . .
O8 Mo4 O10 Mo3 47.8(6) 10_566 .
N4 Mo4 O10 Mo3 94.5(9) . .
N3 Mo4 O10 Mo3 121.8(7) . .
O7 Mo3 O10 Mo4 95.1(7) . .
O8 Mo3 O10 Mo4 -158.8(7) . .
O9 Mo3 O10 Mo4 -36.9(10) 16_666 .
O9 Mo3 O10 Mo4 -1.0(6) 10_566 .
O9 Mo3 O10 Mo4 -74.3(6) . .
Mo3 Mo3 O10 Mo4 1.9(7) 7_464 .
O11 Mo4 N3 C22 -97.8(8) . .
O12 Mo4 N3 C22 143.4(8) . .
O10 Mo4 N3 C22 4.2(7) . .
O8 Mo4 N3 C22 88.9(7) 10_566 .
N4 Mo4 N3 C22 173.6(8) . .
O11 Mo4 N3 C24 76.7(7) . .
O12 Mo4 N3 C24 -42.1(11) . .
O10 Mo4 N3 C24 178.7(7) . .
O8 Mo4 N3 C24 -96.6(7) 10_566 .
N4 Mo4 N3 C24 -11.9(7) . .
O11 Mo4 N4 C25 -74.7(7) . .
O12 Mo4 N4 C25 180.0(7) . .
O10 Mo4 N4 C25 41.2(11) . .
O8 Mo4 N4 C25 88.7(7) 10_566 .
N3 Mo4 N4 C25 12.2(7) . .
O11 Mo4 N4 C29 96.9(7) . .
O12 Mo4 N4 C29 -8.5(7) . .
O10 Mo4 N4 C29 -147.2(7) . .
O8 Mo4 N4 C29 -99.8(7) 10_566 .
N3 Mo4 N4 C29 -176.3(8) . .
C32 C19 C20 C23 62.2(17) . .
C31 C19 C20 C23 -177.5(13) . .
C33 C19 C20 C23 -57.1(16) . .
C32 C19 C20 C21 -118.5(14) . .
C31 C19 C20 C21 1.8(18) . .
C33 C19 C20 C21 122.2(14) . .
C23 C20 C21 C22 2.8(17) . .
C19 C20 C21 C22 -176.5(11) . .
C24 N3 C22 C21 -5.6(15) . .
Mo4 N3 C22 C21 168.9(8) . .
C20 C21 C22 N3 1.1(17) . .
C21 C20 C23 C24 -2.3(17) . .
C19 C20 C23 C24 177.1(11) . .
C22 N3 C24 C23 6.0(14) . .
Mo4 N3 C24 C23 -168.6(8) . .
C22 N3 C24 C25 -174.8(8) . .
Mo4 N3 C24 C25 10.5(11) . .
C20 C23 C24 N3 -2.1(17) . .
C20 C23 C24 C25 178.8(10) . .
C29 N4 C25 C26 -2.7(14) . .
Mo4 N4 C25 C26 169.1(8) . .
C29 N4 C25 C24 177.1(8) . .
Mo4 N4 C25 C24 -11.1(11) . .
N3 C24 C25 N4 0.1(12) . .
C23 C24 C25 N4 179.2(10) . .
N3 C24 C25 C26 179.9(9) . .
C23 C24 C25 C26 -1.0(16) . .
N4 C25 C26 C27 1.3(16) . .
C24 C25 C26 C27 -178.4(10) . .
C25 C26 C27 C28 2.2(17) . .
C25 C26 C27 C30 178.5(12) . .
C26 C27 C28 C29 -4.3(18) . .
C30 C27 C28 C29 179.5(12) . .
C25 N4 C29 C28 0.5(15) . .
Mo4 N4 C29 C28 -171.2(9) . .
C27 C28 C29 N4 3.1(18) . .
C28 C27 C30 C34 128.1(16) . .
C26 C27 C30 C34 -47.9(19) . .
C28 C27 C30 C36 5(2) . .
C26 C27 C30 C36 -170.7(13) . .
C28 C27 C30 C35 -114.1(18) . .
C26 C27 C30 C35 70(2) . .
C15 C1 C2 C5 18(2) . .
C14 C1 C2 C5 139.7(14) . .
C13 C1 C2 C5 -102.7(15) . .
C15 C1 C2 C3 -163.6(14) . .
C14 C1 C2 C3 -41.5(18) . .
C13 C1 C2 C3 76.1(16) . .
C5 C2 C3 C4 5.7(17) . .
C1 C2 C3 C4 -173.2(12) . .
C6 N1 C4 C3 1.2(15) . .
Mo2 N1 C4 C3 158.5(9) . .
C2 C3 C4 N1 -3.8(18) . .
C3 C2 C5 C6 -5.5(17) . .
C1 C2 C5 C6 173.3(12) . .
C2 C5 C6 N1 3.3(18) . .
C2 C5 C6 C7 -175.1(10) . .
C4 N1 C6 C5 -0.9(15) . .
Mo2 N1 C6 C5 -159.3(9) . .
C4 N1 C6 C7 177.6(9) . .
Mo2 N1 C6 C7 19.2(11) . .
C11 N2 C7 C8 1.9(15) . .
Mo2 N2 C7 C8 179.9(8) . .
C11 N2 C7 C6 -178.6(10) . .
Mo2 N2 C7 C6 -0.7(12) . .
C5 C6 C7 N2 166.4(10) . .
N1 C6 C7 N2 -12.1(13) . .
C5 C6 C7 C8 -14.2(17) . .
N1 C6 C7 C8 167.3(10) . .
N2 C7 C8 C9 -0.8(16) . .
C6 C7 C8 C9 179.8(10) . .
C7 C8 C9 C10 -0.5(16) . .
C7 C8 C9 C12 -178.0(10) . .
C8 C9 C10 C11 0.6(17) . .
C12 C9 C10 C11 178.2(11) . .
C7 N2 C11 C10 -1.9(17) . .
Mo2 N2 C11 C10 -179.9(9) . .
C9 C10 C11 N2 0.6(18) . .
C8 C9 C12 C17 -122.7(13) . .
C10 C9 C12 C17 59.9(15) . .
C8 C9 C12 C18 116.2(13) . .
C10 C9 C12 C18 -61.3(14) . .
C8 C9 C12 C16 -4.1(16) . .
C10 C9 C12 C16 178.5(11) . .
