#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:24:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179448 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/45/4334522.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_4334522
loop_
_publ_author_name
'Brian S. Dolinar'
'John F. Berry'
_publ_contact_author_address
;
1101 University Avenue
Madison, WI 53706
USA
;
_publ_contact_author_email       berry@chem.wisc.edu
_publ_contact_author_name        'John Berry'
_publ_section_title
;
 Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4658
_journal_page_last               4667
_journal_paper_doi               10.1021/ic400275x
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C32 H32 Cl2 Li2 Mo4 N8 O8 S8, 2(C H2 Cl2)'
_chemical_formula_sum            'C34 H36 Cl6 Li2 Mo4 N8 O8 S8'
_chemical_formula_weight         1551.53
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 108.07(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.704(3)
_cell_length_b                   22.530(8)
_cell_length_c                   13.543(5)
_cell_measurement_reflns_used    7157
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.136
_cell_measurement_theta_min      2.402
_cell_volume                     2524.8(16)
_computing_cell_refinement       'SAINT+ Ver. 7.68A (Bruker-AXS, 2009)'
_computing_data_collection       'APEX2 Ver. 2012.14-3 (Bruker-AXS, 2012)'
_computing_data_reduction        'SAINT+ Ver. 7.68A'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2008-2012)'
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0732
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            52146
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.486
_diffrn_reflns_theta_min         1.808
_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.676
_exptl_absorpt_correction_T_max  0.9734
_exptl_absorpt_correction_T_min  0.8729
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0767 before and 0.0605 after correction.
The Ratio of minimum to maximum transmission is 0.8968.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.027
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         6403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0237P)²+3.1785P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0683
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4997
_reflns_number_total             6403
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic400275x_si_001_1.cif
_cod_data_source_block           compound2-dim
_cod_original_cell_volume        2525.1(17)
_cod_database_code               4334522
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  {H1SA,H1SB} of C1S, {H2A,H2B} of C2, {H3A,H3B} of C3, {H6A,H6B} of C6,
  {H10A,H10B} of C10, {H11A,H11B} of C11, {H15A,H15B} of C15, {H14A,H14B} of
  C14, {H7A,H7B} of C7
2.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2(H2A,H2B), C3(H3A,H3B), C6(H6A,H6B), C7(H7A,H7B), C10(H10A,
 H10B), C11(H11A,H11B), C14(H14A,H14B), C15(H15A,H15B)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Mo1 Mo 0.29639(3) 0.65291(2) 0.37341(2) 0.01214(6) Uani 1 1 d . .
Mo2 Mo 0.20040(3) 0.61403(2) 0.22299(2) 0.01003(6) Uani 1 1 d . .
Cl1 Cl 0.41456(10) 0.71014(4) 0.55132(6) 0.02089(17) Uani 1 1 d . .
Cl1S Cl 0.39530(12) 0.64071(4) 0.82740(8) 0.0315(2) Uani 1 1 d . .
Cl2S Cl 0.57925(11) 0.57704(4) 0.71270(7) 0.02740(19) Uani 1 1 d . .
S1 S 0.37137(10) 0.74786(3) 0.30107(6) 0.01648(16) Uani 1 1 d . .
S2 S 0.03496(10) 0.69972(4) 0.36799(6) 0.01874(17) Uani 1 1 d . .
S3 S 0.23120(10) 0.56364(4) 0.46682(6) 0.01717(17) Uani 1 1 d . .
S4 S 0.57458(10) 0.61133(3) 0.40235(6) 0.01672(16) Uani 1 1 d . .
O1 O 0.1485(3) 0.64371(9) -0.03026(17) 0.0194(5) Uani 1 1 d . .
O2 O -0.1446(3) 0.60988(10) 0.02164(18) 0.0206(5) Uani 1 1 d . .
O3 O 0.0209(3) 0.48964(10) 0.11037(17) 0.0188(5) Uani 1 1 d . .
O4 O 0.3169(3) 0.53252(10) 0.05322(17) 0.0212(5) Uani 1 1 d . .
N1 N 0.2490(3) 0.68437(11) 0.13288(19) 0.0124(5) Uani 1 1 d . .
N2 N -0.0389(3) 0.64745(11) 0.18670(19) 0.0128(5) Uani 1 1 d . .
N3 N 0.1239(3) 0.53204(10) 0.27053(19) 0.0113(5) Uani 1 1 d . .
N4 N 0.4153(3) 0.57234(11) 0.21700(19) 0.0125(5) Uani 1 1 d . .
C1 C 0.3153(4) 0.73574(13) 0.1733(2) 0.0145(6) Uani 1 1 d . .
C1S C 0.5706(4) 0.64077(15) 0.7876(3) 0.0235(8) Uani 1 1 d . .
H1SA H 0.6676 0.6419 0.8497 0.028 Uiso 1 1 calc R U
H1SB H 0.5712 0.6769 0.7461 0.028 Uiso 1 1 calc R U
C2 C 0.3309(4) 0.77905(13) 0.0919(3) 0.0185(7) Uani 1 1 d . .
H2A H 0.4451 0.7903 0.1035 0.022 Uiso 1 1 calc R U
H2B H 0.2665 0.8154 0.0912 0.022 Uiso 1 1 calc R U
C3 C 0.2632(4) 0.74344(14) -0.0092(2) 0.0177(7) Uani 1 1 d . .
H3A H 0.1702 0.7642 -0.0580 0.021 Uiso 1 1 calc R U
H3B H 0.3472 0.7372 -0.0434 0.021 Uiso 1 1 calc R U
C4 C 0.2114(4) 0.68533(13) 0.0247(2) 0.0144(6) Uani 1 1 d . .
C5 C -0.0880(4) 0.68266(13) 0.2504(2) 0.0148(6) Uani 1 1 d . .
C6 C -0.2604(4) 0.70369(14) 0.2021(3) 0.0195(7) Uani 1 1 d . .
H6A H -0.2655 0.7475 0.1966 0.023 Uiso 1 1 calc R U
H6B H -0.3302 0.6902 0.2431 0.023 Uiso 1 1 calc R U
C7 C -0.3104(4) 0.67482(15) 0.0948(3) 0.0202(7) Uani 1 1 d . .
H7A H -0.4038 0.6480 0.0859 0.024 Uiso 1 1 calc R U
H7B H -0.3394 0.7053 0.0394 0.024 Uiso 1 1 calc R U
C8 C -0.1613(4) 0.64007(14) 0.0922(3) 0.0173(7) Uani 1 1 d . .
C9 C 0.1442(3) 0.51696(13) 0.3702(2) 0.0132(6) Uani 1 1 d . .
C10 C 0.0827(4) 0.45537(14) 0.3793(2) 0.0174(7) Uani 1 1 d . .
H10A H -0.0018 0.4560 0.4141 0.021 Uiso 1 1 calc R U
H10B H 0.1715 0.4289 0.4183 0.021 Uiso 1 1 calc R U
C11 C 0.0129(4) 0.43556(14) 0.2655(3) 0.0183(7) Uani 1 1 d . .
H11A H 0.0651 0.3985 0.2529 0.022 Uiso 1 1 calc R U
H11B H -0.1051 0.4290 0.2467 0.022 Uiso 1 1 calc R U
C12 C 0.0504(4) 0.48634(13) 0.2047(2) 0.0141(6) Uani 1 1 d . .
C13 C 0.5556(4) 0.57410(13) 0.2929(3) 0.0155(6) Uani 1 1 d . .
C14 C 0.6866(4) 0.53944(14) 0.2657(3) 0.0188(7) Uani 1 1 d . .
H14A H 0.7217 0.5047 0.3120 0.023 Uiso 1 1 calc R U
H14B H 0.7815 0.5648 0.2705 0.023 Uiso 1 1 calc R U
C15 C 0.6024(4) 0.51994(15) 0.1529(3) 0.0214(7) Uani 1 1 d . .
H15A H 0.6530 0.5390 0.1048 0.026 Uiso 1 1 calc R U
H15B H 0.6074 0.4763 0.1459 0.026 Uiso 1 1 calc R U
C16 C 0.4299(4) 0.54055(13) 0.1313(3) 0.0157(6) Uani 1 1 d . .
Li1 Li 0.0688(8) 0.5637(3) 0.0038(5) 0.0263(14) Uani 1 1 d . .
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'
Li Li -0.0003 0.0001 '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'
S S 0.1246 0.1234 '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
Mo2 Mo1 Cl1 174.95(2) . .
Mo2 Mo1 S1 92.82(3) . .
Mo2 Mo1 S2 93.56(3) . .
Mo2 Mo1 S3 93.95(3) . .
Mo2 Mo1 S4 93.95(3) . .
S1 Mo1 Cl1 82.30(4) . .
S1 Mo1 S3 173.20(3) . .
S2 Mo1 Cl1 85.06(4) . .
S2 Mo1 S1 88.48(3) . .
S2 Mo1 S3 90.39(4) . .
S2 Mo1 S4 172.49(3) . .
S3 Mo1 Cl1 90.92(4) . .
S4 Mo1 Cl1 87.47(3) . .
S4 Mo1 S1 91.37(3) . .
S4 Mo1 S3 88.88(3) . .
N1 Mo2 Mo1 98.83(7) . .
N1 Mo2 N2 87.60(10) . .
N1 Mo2 N3 163.47(9) . .
N2 Mo2 Mo1 98.09(7) . .
N2 Mo2 N3 90.07(10) . .
N3 Mo2 Mo1 97.70(7) . .
N4 Mo2 Mo1 97.45(7) . .
N4 Mo2 N1 88.46(10) . .
N4 Mo2 N2 164.38(10) . .
N4 Mo2 N3 89.42(10) . .
C1 S1 Mo1 103.67(11) . .
C5 S2 Mo1 103.96(12) . .
C9 S3 Mo1 103.08(11) . .
C13 S4 Mo1 102.94(12) . .
C4 O1 Li1 131.6(3) . .
C8 O2 Li1 131.2(3) . .
C12 O3 Li1 132.1(2) . .
C12 O3 Li1 134.6(3) . 3_565
Li1 O3 Li1 93.2(2) 3_565 .
C16 O4 Li1 132.9(3) . .
C1 N1 Mo2 123.4(2) . .
C1 N1 C4 110.3(3) . .
C4 N1 Mo2 126.2(2) . .
C5 N2 Mo2 123.3(2) . .
C5 N2 C8 110.9(3) . .
C8 N2 Mo2 125.7(2) . .
C9 N3 Mo2 124.4(2) . .
C9 N3 C12 110.4(3) . .
C12 N3 Mo2 125.2(2) . .
C13 N4 Mo2 124.6(2) . .
C13 N4 C16 111.0(3) . .
C16 N4 Mo2 124.5(2) . .
N1 C1 S1 121.2(2) . .
N1 C1 C2 112.8(3) . .
C2 C1 S1 126.0(2) . .
Cl1S C1S Cl2S 111.55(18) . .
Cl1S C1S H1SA 109.3 . .
Cl1S C1S H1SB 109.3 . .
Cl2S C1S H1SA 109.3 . .
Cl2S C1S H1SB 109.3 . .
H1SA C1S H1SB 108.0 . .
C1 C2 H2A 111.3 . .
C1 C2 H2B 111.3 . .
C1 C2 C3 102.5(2) . .
H2A C2 H2B 109.2 . .
C3 C2 H2A 111.3 . .
C3 C2 H2B 111.3 . .
C2 C3 H3A 110.8 . .
C2 C3 H3B 110.8 . .
H3A C3 H3B 108.9 . .
C4 C3 C2 104.5(3) . .
C4 C3 H3A 110.8 . .
C4 C3 H3B 110.8 . .
O1 C4 N1 123.0(3) . .
O1 C4 C3 127.2(3) . .
N1 C4 C3 109.8(3) . .
N2 C5 S2 121.0(2) . .
N2 C5 C6 112.3(3) . .
C6 C5 S2 126.7(2) . .
C5 C6 H6A 111.1 . .
C5 C6 H6B 111.1 . .
C5 C6 C7 103.3(3) . .
H6A C6 H6B 109.1 . .
C7 C6 H6A 111.1 . .
C7 C6 H6B 111.1 . .
C6 C7 H7A 110.9 . .
C6 C7 H7B 110.9 . .
H7A C7 H7B 108.9 . .
C8 C7 C6 104.3(3) . .
C8 C7 H7A 110.9 . .
C8 C7 H7B 110.9 . .
O2 C8 N2 122.8(3) . .
O2 C8 C7 127.9(3) . .
N2 C8 C7 109.2(3) . .
N3 C9 S3 120.9(2) . .
N3 C9 C10 112.0(3) . .
C10 C9 S3 127.1(2) . .
C9 C10 H10A 111.2 . .
C9 C10 H10B 111.2 . .
C9 C10 C11 103.0(2) . .
H10A C10 H10B 109.1 . .
C11 C10 H10A 111.2 . .
C11 C10 H10B 111.2 . .
C10 C11 H11A 110.9 . .
C10 C11 H11B 110.9 . .
H11A C11 H11B 109.0 . .
C12 C11 C10 104.1(2) . .
C12 C11 H11A 110.9 . .
C12 C11 H11B 110.9 . .
O3 C12 N3 122.2(3) . .
O3 C12 C11 127.4(3) . .
N3 C12 C11 110.4(3) . .
N4 C13 S4 121.1(2) . .
N4 C13 C14 112.1(3) . .
C14 C13 S4 126.8(2) . .
C13 C14 H14A 111.2 . .
C13 C14 H14B 111.2 . .
C13 C14 C15 103.0(3) . .
H14A C14 H14B 109.1 . .
C15 C14 H14A 111.2 . .
C15 C14 H14B 111.2 . .
C14 C15 H15A 110.9 . .
C14 C15 H15B 110.9 . .
H15A C15 H15B 109.0 . .
C16 C15 C14 104.1(3) . .
C16 C15 H15A 110.9 . .
C16 C15 H15B 110.9 . .
O4 C16 N4 122.7(3) . .
O4 C16 C15 127.7(3) . .
N4 C16 C15 109.6(3) . .
O1 Li1 O2 88.0(2) . .
O1 Li1 O3 156.2(3) . .
O1 Li1 O4 88.9(3) . .
O2 Li1 O3 87.2(2) . .
O3 Li1 O1 116.9(3) 3_565 .
O3 Li1 O2 103.7(3) 3_565 .
O3 Li1 O3 86.8(2) 3_565 .
O3 Li1 O4 99.4(3) 3_565 .
O4 Li1 O2 155.5(3) . .
O4 Li1 O3 86.0(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 Mo2 2.1354(8) .
Mo1 Cl1 2.6436(12) .
Mo1 S1 2.5217(11) .
Mo1 S2 2.4885(12) .
Mo1 S3 2.5324(11) .
Mo1 S4 2.5112(12) .
Mo2 N1 2.121(3) .
Mo2 N2 2.124(3) .
Mo2 N3 2.130(3) .
Mo2 N4 2.117(3) .
Cl1S C1S 1.769(4) .
Cl2S C1S 1.773(4) .
S1 C1 1.669(3) .
S2 C5 1.665(3) .
S3 C9 1.667(3) .
S4 C13 1.667(3) .
O1 C4 1.217(4) .
O1 Li1 2.035(6) .
O2 C8 1.217(4) .
O2 Li1 2.207(7) .
O3 C12 1.224(4) .
O3 Li1 1.923(6) 3_565
O3 Li1 2.327(7) .
O4 C16 1.214(4) .
O4 Li1 2.170(7) .
N1 C1 1.333(4) .
N1 C4 1.398(4) .
N2 C5 1.336(4) .
N2 C8 1.399(4) .
N3 C9 1.349(4) .
N3 C12 1.383(4) .
N4 C13 1.330(4) .
N4 C16 1.402(4) .
C1 C2 1.509(4) .
C1S H1SA 0.9900 .
C1S H1SB 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C2 C3 1.538(4) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C3 C4 1.502(4) .
C5 C6 1.515(4) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C6 C7 1.527(5) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 C8 1.526(4) .
C9 C10 1.506(4) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C10 C11 1.537(4) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C11 C12 1.504(4) .
C13 C14 1.519(4) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C14 C15 1.539(5) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C15 C16 1.511(5) .
Li1 O3 1.923(6) 3_565
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
Mo1 S1 C1 N1 -0.5(3) .
Mo1 S1 C1 C2 179.2(2) .
Mo1 S2 C5 N2 4.2(3) .
Mo1 S2 C5 C6 -175.2(2) .
Mo1 S3 C9 N3 -0.4(3) .
Mo1 S3 C9 C10 178.6(2) .
Mo1 S4 C13 N4 0.1(3) .
Mo1 S4 C13 C14 179.9(2) .
Mo2 N1 C1 S1 2.0(4) .
Mo2 N1 C1 C2 -177.8(2) .
Mo2 N1 C4 O1 -2.1(4) .
Mo2 N1 C4 C3 179.1(2) .
Mo2 N2 C5 S2 -3.7(4) .
Mo2 N2 C5 C6 175.71(19) .
Mo2 N2 C8 O2 4.6(4) .
Mo2 N2 C8 C7 -175.6(2) .
Mo2 N3 C9 S3 1.1(4) .
Mo2 N3 C9 C10 -178.02(19) .
Mo2 N3 C12 O3 -0.8(4) .
Mo2 N3 C12 C11 -179.81(19) .
Mo2 N4 C13 S4 -0.7(4) .
Mo2 N4 C13 C14 179.45(19) .
Mo2 N4 C16 O4 -2.5(4) .
Mo2 N4 C16 C15 177.1(2) .
S1 C1 C2 C3 179.1(2) .
S2 C5 C6 C7 179.3(2) .
S3 C9 C10 C11 178.6(2) .
S4 C13 C14 C15 -175.2(2) .
N1 C1 C2 C3 -1.2(3) .
N2 C5 C6 C7 -0.1(3) .
N3 C9 C10 C11 -2.3(3) .
N4 C13 C14 C15 4.6(3) .
C1 N1 C4 O1 -179.4(3) .
C1 N1 C4 C3 1.7(3) .
C1 C2 C3 C4 2.0(3) .
C2 C3 C4 O1 178.9(3) .
C2 C3 C4 N1 -2.3(3) .
C4 N1 C1 S1 179.4(2) .
C4 N1 C1 C2 -0.3(4) .
C5 N2 C8 O2 179.9(3) .
C5 N2 C8 C7 -0.4(3) .
C5 C6 C7 C8 -0.1(3) .
C6 C7 C8 O2 180.0(3) .
C6 C7 C8 N2 0.3(3) .
C8 N2 C5 S2 -179.1(2) .
C8 N2 C5 C6 0.3(4) .
C9 N3 C12 O3 -179.3(3) .
C9 N3 C12 C11 1.7(3) .
C9 C10 C11 C12 3.1(3) .
C10 C11 C12 O3 178.0(3) .
C10 C11 C12 N3 -3.0(3) .
C12 N3 C9 S3 179.6(2) .
C12 N3 C9 C10 0.5(3) .
C13 N4 C16 O4 179.1(3) .
C13 N4 C16 C15 -1.3(3) .
C13 C14 C15 C16 -4.9(3) .
C14 C15 C16 O4 -176.4(3) .
C14 C15 C16 N4 4.1(3) .
C16 N4 C13 S4 177.6(2) .
C16 N4 C13 C14 -2.2(3) .
Li1 O1 C4 N1 2.6(5) .
Li1 O1 C4 C3 -178.7(3) .
Li1 O2 C8 N2 -5.8(5) .
Li1 O2 C8 C7 174.5(3) .
Li1 O3 C12 N3 176.9(3) 3_565
Li1 O3 C12 N3 1.1(5) .
Li1 O3 C12 C11 179.9(3) .
Li1 O3 C12 C11 -4.3(6) 3_565
Li1 O4 C16 N4 4.8(5) .
Li1 O4 C16 C15 -174.7(3) .
