#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/03/7030360.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_7030360
loop_
_publ_author_name
'García-Monforte, M Angeles'
'Baya, Miguel'
'Betoré, M Pilar'
'Martín, Antonio'
'Menjón, Babil'
_publ_section_title
;
 Mononuclear anionic AO2X3 compounds with non-VSEPR structure.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7615
_journal_page_last               7621
_journal_paper_doi               10.1039/c4dt00525b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C34.25 H36.5 Cl0.5 F15 Mo N O2'
_chemical_formula_weight         892.81
_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                79.063(3)
_cell_angle_beta                 84.902(3)
_cell_angle_gamma                83.183(3)
_cell_formula_units_Z            2
_cell_length_a                   11.1922(3)
_cell_length_b                   12.9530(4)
_cell_length_c                   13.1007(5)
_cell_measurement_reflns_used    5548
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8108
_cell_measurement_theta_min      4.1504
_cell_volume                     1847.27(11)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
  1 omega  -52.00   50.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615   77.0000 -150.0000 102

  2 omega   12.00   50.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615   77.0000 -120.0000 38

  3 omega  -49.00   42.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615   77.0000  120.0000 91

  4 omega  -11.00   35.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000   90.0000 46

  5 omega   64.00   89.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000    0.0000 25

  6 omega  -11.00   88.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   77.0000  -30.0000 99

  7 omega  -93.00   12.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -37.0000  150.0000 105

  8 omega  -91.00    4.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.9615  -57.0000   90.0000 95

  9 omega   -2.00   93.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928   57.0000  -60.0000 95

 10 omega   34.00  102.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  179.0000 -180.0000 68

 11 omega   34.00  102.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  179.0000   90.0000 68

 12 omega  -25.00   67.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       21.9928  -99.0000  -30.0000 92

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w scans'
_diffrn_orient_matrix_UB_11      0.0470706696
_diffrn_orient_matrix_UB_12      0.0211592287
_diffrn_orient_matrix_UB_13      -0.0346228705
_diffrn_orient_matrix_UB_21      0.0417529925
_diffrn_orient_matrix_UB_22      -0.0413209829
_diffrn_orient_matrix_UB_23      0.0233905485
_diffrn_orient_matrix_UB_31      -0.0113517875
_diffrn_orient_matrix_UB_32      -0.0313788581
_diffrn_orient_matrix_UB_33      -0.0361444239
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1098
_diffrn_reflns_av_sigmaI/netI    0.1750
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27884
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         4.16
_exptl_absorpt_coefficient_mu    0.499
_exptl_absorpt_correction_T_max  0.9803
_exptl_absorpt_correction_T_min  0.8687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             901
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.549
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.875
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         6848
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.1155
_refine_ls_R_factor_gt           0.0520
_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)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0812
_reflns_number_gt                3474
_reflns_number_total             6848
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00525b2.cif
_cod_data_source_block           amt684
_cod_original_cell_volume        1847.26(11)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C34.25 H36.50 Cl0.50 F15 Mo N O2'
_cod_database_code               7030360
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo Mo 0.71921(4) 0.22447(4) -0.21171(3) 0.02715(14) Uani 1 1 d . . .
F2 F 0.4754(2) 0.3302(2) -0.0990(2) 0.0540(9) Uani 1 1 d . . .
F3 F 0.4255(3) 0.3993(2) 0.0830(2) 0.0915(13) Uani 1 1 d . . .
F4 F 0.6053(4) 0.4178(3) 0.2010(3) 0.1138(15) Uani 1 1 d . . .
F5 F 0.8336(4) 0.3618(4) 0.1382(3) 0.1190(17) Uani 1 1 d . . .
F6 F 0.8879(3) 0.2883(3) -0.0371(2) 0.0668(10) Uani 1 1 d . . .
F8 F 0.8601(2) 0.4351(2) -0.2374(2) 0.0432(8) Uani 1 1 d . . .
F9 F 0.8167(3) 0.6393(2) -0.3277(2) 0.0672(10) Uani 1 1 d . . .
F10 F 0.6076(3) 0.7089(2) -0.4235(2) 0.0667(10) Uani 1 1 d . . .
F11 F 0.4422(2) 0.5720(2) -0.42466(19) 0.0464(8) Uani 1 1 d . . .
F12 F 0.4864(2) 0.3673(2) -0.33609(18) 0.0359(7) Uani 1 1 d . . .
F14 F 0.9074(2) 0.3010(2) -0.41027(19) 0.0411(8) Uani 1 1 d . . .
F15 F 0.9280(2) 0.2829(2) -0.6120(2) 0.0571(9) Uani 1 1 d . . .
F16 F 0.7585(2) 0.1911(2) -0.6916(2) 0.0572(9) Uani 1 1 d . . .
F17 F 0.5697(2) 0.1193(2) -0.5669(2) 0.0490(8) Uani 1 1 d . . .
F18 F 0.5414(2) 0.1421(2) -0.36919(18) 0.0372(7) Uani 1 1 d . . .
O1 O 0.6163(3) 0.1375(2) -0.1704(2) 0.0344(8) Uani 1 1 d . . .
O2 O 0.8631(2) 0.1721(2) -0.1917(2) 0.0327(9) Uani 1 1 d . . .
C1 C 0.6836(4) 0.3055(4) -0.0773(4) 0.0303(13) Uani 1 1 d . . .
C2 C 0.5686(5) 0.3380(4) -0.0420(4) 0.0409(14) Uani 1 1 d . . .
C3 C 0.5405(6) 0.3732(4) 0.0505(5) 0.0584(19) Uani 1 1 d . . .
C4 C 0.6317(9) 0.3811(5) 0.1111(5) 0.069(2) Uani 1 1 d . . .
C5 C 0.7457(7) 0.3519(5) 0.0791(5) 0.068(2) Uani 1 1 d . . .
C6 C 0.7695(5) 0.3152(4) -0.0127(4) 0.0429(16) Uani 1 1 d . . .
C7 C 0.6759(4) 0.3928(4) -0.2839(3) 0.0219(11) Uani 1 1 d . . .
C8 C 0.7536(4) 0.4667(4) -0.2845(4) 0.0329(13) Uani 1 1 d . . .
C9 C 0.7355(5) 0.5710(4) -0.3302(4) 0.0435(15) Uani 1 1 d . . .
C10 C 0.6295(5) 0.6063(5) -0.3774(4) 0.0457(16) Uani 1 1 d . . .
C11 C 0.5464(4) 0.5374(4) -0.3782(4) 0.0358(14) Uani 1 1 d . . .
C12 C 0.5709(4) 0.4330(4) -0.3324(3) 0.0285(12) Uani 1 1 d . . .
C13 C 0.7236(4) 0.2219(4) -0.3796(3) 0.0250(12) Uani 1 1 d . . .
C14 C 0.8197(4) 0.2558(4) -0.4465(4) 0.0319(13) Uani 1 1 d . . .
C15 C 0.8327(5) 0.2489(4) -0.5510(4) 0.0387(14) Uani 1 1 d . . .
C16 C 0.7467(5) 0.2029(4) -0.5904(4) 0.0385(15) Uani 1 1 d . . .
C17 C 0.6503(5) 0.1679(4) -0.5275(4) 0.0324(13) Uani 1 1 d . . .
C18 C 0.6400(4) 0.1788(4) -0.4252(4) 0.0298(13) Uani 1 1 d . . .
N N 0.2202(3) 0.1401(3) -0.1768(3) 0.0308(10) Uani 1 1 d . B .
C19 C 0.1557(4) 0.0976(4) -0.2559(4) 0.0456(15) Uani 1 1 d . . .
H19A H 0.1532 0.0206 -0.2317 0.055 Uiso 1 1 calc R . .
H19B H 0.0712 0.1307 -0.2557 0.055 Uiso 1 1 calc R . .
C20 C 0.2093(5) 0.1150(4) -0.3672(4) 0.0538(16) Uani 1 1 d . . .
H20A H 0.2930 0.0804 -0.3700 0.065 Uiso 1 1 calc R . .
H20B H 0.2115 0.1916 -0.3938 0.065 Uiso 1 1 calc R . .
C21 C 0.1333(6) 0.0688(4) -0.4350(5) 0.080(2) Uani 1 1 d . . .
H21A H 0.1297 -0.0074 -0.4067 0.096 Uiso 1 1 calc R . .
H21B H 0.0500 0.1043 -0.4324 0.096 Uiso 1 1 calc R . .
C22 C 0.1843(7) 0.0820(5) -0.5480(5) 0.117(3) Uani 1 1 d U . .
H22A H 0.1327 0.0518 -0.5888 0.175 Uiso 1 1 calc R . .
H22B H 0.2660 0.0454 -0.5512 0.175 Uiso 1 1 calc R . .
H22C H 0.1869 0.1574 -0.5767 0.175 Uiso 1 1 calc R . .
C23 C 0.3449(4) 0.0796(4) -0.1608(3) 0.0313(13) Uani 1 1 d . . .
H23A H 0.3895 0.0821 -0.2298 0.038 Uiso 1 1 calc R . .
H23B H 0.3891 0.1171 -0.1194 0.038 Uiso 1 1 calc R . .
C24 C 0.3473(4) -0.0347(4) -0.1073(4) 0.0372(14) Uani 1 1 d . . .
H24A H 0.2999 -0.0732 -0.1451 0.045 Uiso 1 1 calc R . .
H24B H 0.3108 -0.0389 -0.0352 0.045 Uiso 1 1 calc R . .
C25 C 0.4789(4) -0.0858(4) -0.1054(3) 0.0316(13) Uani 1 1 d . . .
H25A H 0.5302 -0.0352 -0.0879 0.038 Uiso 1 1 calc R . .
H25B H 0.4837 -0.1492 -0.0496 0.038 Uiso 1 1 calc R . .
C26 C 0.5286(4) -0.1177(4) -0.2076(4) 0.0471(15) Uani 1 1 d . . .
H26A H 0.6122 -0.1494 -0.2012 0.071 Uiso 1 1 calc R . .
H26B H 0.5260 -0.0552 -0.2631 0.071 Uiso 1 1 calc R . .
H26C H 0.4797 -0.1693 -0.2247 0.071 Uiso 1 1 calc R . .
C27 C 0.2401(4) 0.2537(4) -0.2164(3) 0.0328(13) Uani 1 1 d . . .
H27A H 0.2893 0.2580 -0.2834 0.039 Uiso 1 1 calc R . .
H27B H 0.2879 0.2769 -0.1665 0.039 Uiso 1 1 calc R . .
C28 C 0.1268(4) 0.3316(4) -0.2333(4) 0.0425(15) Uani 1 1 d . . .
H28A H 0.0709 0.3030 -0.2727 0.051 Uiso 1 1 calc R . .
H28B H 0.0855 0.3400 -0.1649 0.051 Uiso 1 1 calc R . .
C29 C 0.1570(4) 0.4378(4) -0.2922(5) 0.0518(16) Uani 1 1 d . . .
H29A H 0.2267 0.4581 -0.2619 0.062 Uiso 1 1 calc R . .
H29B H 0.0876 0.4910 -0.2830 0.062 Uiso 1 1 calc R . .
C30 C 0.1869(5) 0.4405(4) -0.4081(5) 0.0621(18) Uani 1 1 d . . .
H30A H 0.2074 0.5111 -0.4413 0.093 Uiso 1 1 calc R . .
H30B H 0.1170 0.4238 -0.4396 0.093 Uiso 1 1 calc R . .
H30C H 0.2557 0.3882 -0.4181 0.093 Uiso 1 1 calc R . .
C31 C 0.1410(4) 0.1265(4) -0.0760(4) 0.0597(18) Uani 1 1 d D . .
H31A H 0.0637 0.1704 -0.0906 0.072 Uiso 1 1 calc R A 1
H31B H 0.1228 0.0519 -0.0606 0.072 Uiso 1 1 calc R A 1
C32 C 0.1808(12) 0.1512(15) 0.0236(6) 0.0795(19) Uani 0.50 1 d PD B 1
H32A H 0.1834 0.2281 0.0187 0.095 Uiso 0.50 1 calc PR B 1
H32B H 0.2611 0.1139 0.0402 0.095 Uiso 0.50 1 calc PR B 1
C33 C 0.0817(10) 0.1095(10) 0.1053(6) 0.0795(19) Uani 0.50 1 d PD B 1
H33A H 0.0008 0.1385 0.0819 0.095 Uiso 0.50 1 calc PR B 1
H33B H 0.0872 0.0314 0.1164 0.095 Uiso 0.50 1 calc PR B 1
C34 C 0.1034(11) 0.1465(10) 0.2064(6) 0.0795(19) Uani 0.50 1 d PD B 1
H34A H 0.0428 0.1214 0.2613 0.119 Uiso 0.50 1 calc PR B 1
H34B H 0.0973 0.2239 0.1942 0.119 Uiso 0.50 1 calc PR B 1
H34C H 0.1841 0.1177 0.2280 0.119 Uiso 0.50 1 calc PR B 1
C32' C 0.1985(11) 0.1736(14) 0.0043(7) 0.0795(19) Uani 0.50 1 d PD B 2
H32C H 0.2686 0.1238 0.0285 0.095 Uiso 0.50 1 calc PR B 2
H32D H 0.2306 0.2396 -0.0329 0.095 Uiso 0.50 1 calc PR B 2
C33' C 0.1233(11) 0.1999(8) 0.1013(6) 0.0795(19) Uani 0.50 1 d PD B 2
H33C H 0.1749 0.2266 0.1460 0.095 Uiso 0.50 1 calc PR B 2
H33D H 0.0576 0.2562 0.0802 0.095 Uiso 0.50 1 calc PR B 2
C34' C 0.0697(11) 0.1030(9) 0.1625(8) 0.0795(19) Uani 0.50 1 d PD B 2
H34D H 0.0164 0.1227 0.2208 0.119 Uiso 0.50 1 calc PR B 2
H34E H 0.1347 0.0500 0.1895 0.119 Uiso 0.50 1 calc PR B 2
H34F H 0.0233 0.0736 0.1169 0.119 Uiso 0.50 1 calc PR B 2
Cl1 Cl 0.0475(4) 0.4807(5) 0.0115(4) 0.0453(16) Uani 0.25 1 d PD . .
Cl2 Cl -0.1921(4) 0.5822(4) -0.0411(4) 0.0386(13) Uani 0.25 1 d PD . .
C35 C -0.0397(9) 0.5683(13) -0.0762(10) 0.023(5) Uani 0.25 1 d PDU . .
H35A H -0.0095 0.6386 -0.0859 0.028 Uiso 0.25 1 calc PR . .
H35B H -0.0280 0.5447 -0.1443 0.028 Uiso 0.25 1 calc PR . .
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'
F F 0.0171 0.0103 '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'
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
O1 Mo O2 113.61(15) . .
O1 Mo C1 95.04(16) . .
O2 Mo C1 99.13(16) . .
O1 Mo C13 98.02(16) . .
O2 Mo C13 97.96(15) . .
C1 Mo C13 152.18(16) . .
O1 Mo C7 124.85(15) . .
O2 Mo C7 121.54(15) . .
C1 Mo C7 76.38(16) . .
C13 Mo C7 75.99(15) . .
C6 C1 C2 113.2(5) . .
C6 C1 Mo 124.0(4) . .
C2 C1 Mo 122.1(4) . .
F2 C2 C3 117.3(5) . .
F2 C2 C1 118.5(5) . .
C3 C2 C1 124.2(5) . .
F3 C3 C4 119.6(7) . .
F3 C3 C2 121.2(7) . .
C4 C3 C2 119.2(6) . .
C5 C4 F4 121.5(8) . .
C5 C4 C3 118.8(6) . .
F4 C4 C3 119.7(7) . .
F5 C5 C4 118.1(7) . .
F5 C5 C6 121.9(7) . .
C4 C5 C6 120.0(6) . .
F6 C6 C1 120.8(5) . .
F6 C6 C5 114.8(6) . .
C1 C6 C5 124.4(6) . .
C8 C7 C12 113.8(5) . .
C8 C7 Mo 121.7(3) . .
C12 C7 Mo 124.5(4) . .
C7 C8 C9 125.3(5) . .
C7 C8 F8 118.4(5) . .
C9 C8 F8 116.3(5) . .
F9 C9 C8 121.9(5) . .
F9 C9 C10 119.9(5) . .
C8 C9 C10 118.2(5) . .
F10 C10 C11 119.9(5) . .
F10 C10 C9 120.3(6) . .
C11 C10 C9 119.8(5) . .
F11 C11 C10 119.8(5) . .
F11 C11 C12 121.0(5) . .
C10 C11 C12 119.2(5) . .
F12 C12 C11 117.1(4) . .
F12 C12 C7 119.2(4) . .
C11 C12 C7 123.7(5) . .
C18 C13 C14 114.5(4) . .
C18 C13 Mo 124.2(4) . .
C14 C13 Mo 121.0(4) . .
F14 C14 C15 116.3(5) . .
F14 C14 C13 119.7(5) . .
C15 C14 C13 124.0(5) . .
F15 C15 C16 120.6(5) . .
F15 C15 C14 121.3(5) . .
C16 C15 C14 118.1(5) . .
F16 C16 C17 120.0(5) . .
F16 C16 C15 119.9(5) . .
C17 C16 C15 120.1(5) . .
F17 C17 C18 121.4(5) . .
F17 C17 C16 119.0(5) . .
C18 C17 C16 119.6(5) . .
F18 C18 C17 115.3(5) . .
F18 C18 C13 121.0(4) . .
C17 C18 C13 123.7(5) . .
C27 N C31 111.9(4) . .
C27 N C23 106.6(3) . .
C31 N C23 110.8(3) . .
C27 N C19 110.3(3) . .
C31 N C19 106.6(4) . .
C23 N C19 110.8(3) . .
C20 C19 N 116.7(4) . .
C19 C20 C21 109.6(5) . .
C22 C21 C20 112.1(6) . .
C24 C23 N 116.3(4) . .
C23 C24 C25 109.4(4) . .
C26 C25 C24 113.6(4) . .
N C27 C28 116.3(4) . .
C29 C28 C27 111.4(4) . .
C28 C29 C30 113.7(4) . .
C32 C31 N 121.9(5) . .
C32 C31 C32' 15.3(8) . .
N C31 C32' 108.7(5) . .
C31 C32 C33 102.5(5) . .
C34 C33 C32 106.2(6) . .
C33' C32' C31 120.1(6) . .
C34' C33' C32' 110.7(6) . .
C35 Cl1 Cl1 109.2(9) 2_565 2_565
C35 Cl1 C35 140.8(6) 2_565 .
Cl1 Cl1 C35 31.6(5) 2_565 .
C35 Cl1 Cl2 71.7(7) 2_565 2_565
Cl1 Cl1 Cl2 176.9(8) 2_565 2_565
C35 Cl1 Cl2 147.4(5) . 2_565
C35 Cl2 Cl1 32.0(4) . 2_565
Cl2 C35 Cl1 115.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo O1 1.689(3) .
Mo O2 1.694(3) .
Mo C1 2.199(5) .
Mo C13 2.202(4) .
Mo C7 2.221(4) .
F2 C2 1.361(5) .
F3 C3 1.344(6) .
F4 C4 1.349(6) .
F5 C5 1.337(6) .
F6 C6 1.355(5) .
F8 C8 1.374(5) .
F9 C9 1.348(5) .
F10 C10 1.356(5) .
F11 C11 1.353(5) .
F12 C12 1.355(5) .
F14 C14 1.361(5) .
F15 C15 1.341(5) .
F16 C16 1.357(5) .
F17 C17 1.348(5) .
F18 C18 1.352(5) .
C1 C6 1.368(6) .
C1 C2 1.374(6) .
C2 C3 1.372(7) .
C3 C4 1.371(8) .
C4 C5 1.340(8) .
C5 C6 1.369(7) .
C7 C8 1.366(6) .
C7 C12 1.385(5) .
C8 C9 1.369(6) .
C9 C10 1.375(6) .
C10 C11 1.365(7) .
C11 C12 1.377(6) .
C13 C18 1.376(6) .
C13 C14 1.385(6) .
C14 C15 1.384(6) .
C15 C16 1.374(7) .
C16 C17 1.367(6) .
C17 C18 1.367(6) .
N C27 1.501(5) .
N C31 1.517(5) .
N C23 1.528(5) .
N C19 1.531(5) .
C19 C20 1.513(6) .
C20 C21 1.525(6) .
C21 C22 1.523(8) .
C23 C24 1.511(6) .
C24 C25 1.541(5) .
C25 C26 1.516(5) .
C27 C28 1.528(5) .
C28 C29 1.504(6) .
C29 C30 1.520(6) .
C31 C32 1.517(5) .
C31 C32' 1.533(5) .
C32 C33 1.542(5) .
C33 C34 1.539(5) .
C32' C33' 1.532(5) .
C33' C34' 1.512(5) .
Cl1 C35 0.961(13) 2_565
Cl1 Cl1 1.159(9) 2_565
Cl1 C35 1.732(9) .
Cl1 Cl2 1.764(7) 2_565
Cl2 C35 1.724(9) .
Cl2 Cl1 1.764(7) 2_565
