#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/09/7010995.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_7010995
loop_
_publ_author_name
'Michael G. B. Drew'
'Vitor Félix'
'Carlos C. Romão'
'Beatriz Royo'
_publ_section_title
;
 Bis-indenyl molybdenum(IV) halide complexes: synthesis and X-ray
 studies
;
_journal_issue                   4
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              584
_journal_page_last               590
_journal_paper_doi               10.1039/b106540h
_journal_year                    2002
_chemical_formula_moiety         Ind2MoBr2
_chemical_formula_sum            'C18 H14 Br2 Mo'
_chemical_formula_weight         486.05
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.27(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   15.134(17)
_cell_length_b                   14.522(19)
_cell_length_c                   29.774(33)
_cell_measurement_temperature    293(2)
_cell_volume                     6342(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.839
_diffrn_measured_fraction_theta_max 0.839
_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  0.0589
_diffrn_reflns_av_sigmaI/netI    0.0875
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            20536
_diffrn_reflns_theta_full        26.13
_diffrn_reflns_theta_max         26.13
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    5.857
_exptl_crystal_density_diffrn    2.036
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3744
_refine_diff_density_max         0.800
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       0.00002(3)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         11030
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.1382
_refine_ls_R_factor_gt           0.0678
_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)+(0.0841P)²+0.0000P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1746
_reflns_number_gt                6709
_reflns_number_total             11030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106540h.txt
_cod_data_source_block           compound_3_Ind2MoBr2
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w==1/[\s^2^(Fo^2^)+(0.0841P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w==1/[\s^2^(Fo^2^)+(0.0841P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6342(1)
_cod_original_sg_symbol_H-M      P21/a
_cod_original_formula_sum        'C18 H14 Br2 Mo1'
_cod_database_code               7010995
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.28390(6) 0.88393(6) -0.00255(3) 0.0319(2) Uani 1 d . . .
Br11 Br 0.30852(8) 1.01356(8) 0.06127(4) 0.0473(3) Uani 1 d . . .
Br21 Br 0.33027(8) 1.01451(8) -0.05271(4) 0.0461(3) Uani 1 d . . .
C191 C 0.3360(9) 0.7394(8) 0.0168(4) 0.054(4) Uani 1 d . . .
H191 H 0.2921 0.6956 0.0186 0.065 Uiso 1 calc R . .
C181 C 0.3717(7) 0.7563(7) -0.0224(4) 0.036(3) Uani 1 d . . .
C171 C 0.3564(9) 0.7109(8) -0.0660(4) 0.054(3) Uani 1 d . . .
H171 H 0.3123 0.6653 -0.0748 0.065 Uiso 1 calc R . .
C161 C 0.4099(9) 0.7380(9) -0.0941(4) 0.060(4) Uani 1 d . . .
H161 H 0.4032 0.7092 -0.1226 0.072 Uiso 1 calc R . .
C151 C 0.4753(8) 0.8085(8) -0.0814(4) 0.046(3) Uani 1 d . . .
H151 H 0.5121 0.8225 -0.1012 0.055 Uiso 1 calc R . .
C141 C 0.4865(7) 0.8558(8) -0.0421(4) 0.040(3) Uani 1 d . . .
H141 H 0.5268 0.9051 -0.0354 0.049 Uiso 1 calc R . .
C131 C 0.4334(7) 0.8271(8) -0.0103(4) 0.038(3) Uani 1 d . . .
C121 C 0.4345(7) 0.8618(8) 0.0351(3) 0.037(3) Uani 1 d . . .
H121 H 0.4653 0.9131 0.0498 0.045 Uiso 1 calc R . .
C111 C 0.3786(8) 0.8007(8) 0.0523(4) 0.050(3) Uani 1 d . . .
H111 H 0.3710 0.8007 0.0823 0.060 Uiso 1 calc R . .
C211 C 0.1632(7) 0.8651(9) -0.0639(4) 0.051(3) Uani 1 d . . .
H211 H 0.1735 0.8655 -0.0934 0.061 Uiso 1 calc R . .
C221 C 0.1655(8) 0.7882(8) -0.0353(4) 0.044(3) Uani 1 d . . .
H221 H 0.1796 0.7283 -0.0421 0.052 Uiso 1 calc R . .
C231 C 0.1423(7) 0.8176(8) 0.0061(4) 0.035(3) Uani 1 d . . .
C241 C 0.1308(8) 0.7677(10) 0.0452(4) 0.055(3) Uani 1 d . . .
H241 H 0.1448 0.7054 0.0489 0.066 Uiso 1 calc R . .
C251 C 0.0983(8) 0.8159(10) 0.0768(4) 0.056(4) Uani 1 d . . .
H251 H 0.0885 0.7846 0.1024 0.068 Uiso 1 calc R . .
C261 C 0.0790(8) 0.9088(11) 0.0731(4) 0.058(4) Uani 1 d . . .
H261 H 0.0571 0.9378 0.0960 0.070 Uiso 1 calc R . .
C271 C 0.0914(8) 0.9580(9) 0.0370(5) 0.052(3) Uani 1 d . . .
H271 H 0.0787 1.0208 0.0349 0.062 Uiso 1 calc R . .
C281 C 0.1237(7) 0.9132(7) 0.0022(4) 0.035(3) Uani 1 d . . .
C291 C 0.1421(7) 0.9420(9) -0.0394(4) 0.048(3) Uani 1 d . . .
H291 H 0.1406 1.0028 -0.0495 0.058 Uiso 1 calc R . .
Mo2 Mo 0.71423(6) 0.87379(6) 0.48883(3) 0.0314(2) Uani 1 d . . .
Br12 Br 0.70097(9) 1.01123(8) 0.43064(4) 0.0495(3) Uani 1 d . . .
Br22 Br 0.68543(9) 1.00352(9) 0.54516(4) 0.0528(4) Uani 1 d . . .
C112 C 0.8324(8) 0.8340(9) 0.5478(4) 0.050(3) Uani 1 d . . .
H112 H 0.8230 0.8293 0.5774 0.060 Uiso 1 calc R . .
C122 C 0.8608(7) 0.9132(9) 0.5284(4) 0.046(3) Uani 1 d . . .
H122 H 0.8664 0.9719 0.5413 0.056 Uiso 1 calc R . .
C132 C 0.8796(7) 0.8880(8) 0.4859(4) 0.041(3) Uani 1 d . . .
C142 C 0.9184(7) 0.9381(9) 0.4538(4) 0.045(3) Uani 1 d . . .
H142 H 0.9350 0.9996 0.4589 0.054 Uiso 1 calc R . .
C152 C 0.9300(8) 0.8926(10) 0.4158(4) 0.056(3) Uani 1 d . . .
H152 H 0.9613 0.9212 0.3964 0.068 Uiso 1 calc R . .
C162 C 0.8953(8) 0.8027(8) 0.4052(4) 0.046(3) Uani 1 d . . .
H162 H 0.9000 0.7759 0.3775 0.056 Uiso 1 calc R . .
C172 C 0.8564(8) 0.7550(8) 0.4331(4) 0.043(3) Uani 1 d . . .
H172 H 0.8348 0.6957 0.4253 0.052 Uiso 1 calc R . .
C182 C 0.8484(8) 0.7962(7) 0.4752(4) 0.036(3) Uani 1 d . . .
C192 C 0.8205(8) 0.7626(8) 0.5146(4) 0.044(3) Uani 1 d . . .
H192 H 0.7983 0.7039 0.5179 0.052 Uiso 1 calc R . .
C212 C 0.6069(8) 0.8096(8) 0.4304(4) 0.049(3) Uani 1 d . . .
H212 H 0.6127 0.8151 0.4001 0.059 Uiso 1 calc R . .
C222 C 0.5611(8) 0.8721(8) 0.4526(4) 0.047(3) Uani 1 d . . .
H222 H 0.5358 0.9283 0.4411 0.056 Uiso 1 calc R . .
C232 C 0.5609(7) 0.8323(7) 0.4969(4) 0.035(3) Uani 1 d . . .
C242 C 0.5179(8) 0.8595(9) 0.5323(4) 0.055(3) Uani 1 d . . .
H242 H 0.4827 0.9126 0.5296 0.066 Uiso 1 calc R . .
C252 C 0.5310(8) 0.8040(10) 0.5703(4) 0.058(4) Uani 1 d . . .
H252 H 0.5028 0.8200 0.5937 0.070 Uiso 1 calc R . .
C262 C 0.5844(9) 0.7245(11) 0.5761(5) 0.065(4) Uani 1 d . . .
H262 H 0.5889 0.6887 0.6025 0.078 Uiso 1 calc R . .
C272 C 0.6289(9) 0.6986(9) 0.5451(5) 0.061(4) Uani 1 d . . .
H272 H 0.6690 0.6491 0.5507 0.073 Uiso 1 calc R . .
C282 C 0.6133(8) 0.7498(8) 0.5021(4) 0.043(3) Uani 1 d . . .
C292 C 0.6421(8) 0.7383(8) 0.4605(4) 0.046(3) Uani 1 d . . .
H292 H 0.6787 0.6907 0.4544 0.055 Uiso 1 calc R . .
Mo3 Mo 0.36251(6) 0.72311(6) 0.22171(3) 0.0332(2) Uani 1 d . . .
Br13 Br 0.49223(9) 0.70038(9) 0.17722(4) 0.0545(4) Uani 1 d . . .
Br23 Br 0.49929(8) 0.69474(8) 0.29500(4) 0.0451(3) Uani 1 d . . .
C113 C 0.2973(9) 0.6135(9) 0.1710(4) 0.056(4) Uani 1 d . . .
H113 H 0.3054 0.6167 0.1410 0.067 Uiso 1 calc R . .
C123 C 0.2244(7) 0.6520(8) 0.1863(4) 0.047(3) Uani 1 d . . .
H123 H 0.1773 0.6873 0.1686 0.056 Uiso 1 calc R . .
C133 C 0.2352(8) 0.6276(8) 0.2337(4) 0.040(3) Uani 1 d . . .
C143 C 0.1819(9) 0.6448(9) 0.2652(5) 0.055(3) Uani 1 d . . .
H143 H 0.1308 0.6826 0.2569 0.066 Uiso 1 calc R . .
C153 C 0.2053(10) 0.6064(10) 0.3073(5) 0.064(4) Uani 1 d . . .
H153 H 0.1703 0.6181 0.3283 0.077 Uiso 1 calc R . .
C163 C 0.2815(11) 0.5490(10) 0.3201(5) 0.064(4) Uani 1 d . . .
H163 H 0.2927 0.5199 0.3488 0.077 Uiso 1 calc R . .
C173 C 0.3407(9) 0.5332(9) 0.2926(4) 0.058(4) Uani 1 d . . .
H173 H 0.3937 0.4987 0.3026 0.069 Uiso 1 calc R . .
C183 C 0.3150(8) 0.5737(7) 0.2476(4) 0.045(3) Uani 1 d . . .
C193 C 0.3566(9) 0.5686(8) 0.2096(4) 0.048(3) Uani 1 d . . .
H193 H 0.4123 0.5410 0.2099 0.057 Uiso 1 calc R . .
C213 C 0.3251(11) 0.8509(9) 0.1782(5) 0.063(4) Uani 1 d . . .
H213 H 0.3184 0.8465 0.1464 0.076 Uiso 1 calc R . .
C223 C 0.2559(8) 0.8376(8) 0.2020(4) 0.051(3) Uani 1 d . . .
H223 H 0.1961 0.8192 0.1891 0.061 Uiso 1 calc R . .
C233 C 0.2964(8) 0.8581(8) 0.2502(4) 0.045(3) Uani 1 d . . .
C243 C 0.2565(11) 0.8614(9) 0.2882(5) 0.065(4) Uani 1 d . . .
H243 H 0.1971 0.8415 0.2859 0.078 Uiso 1 calc R . .
C253 C 0.3090(18) 0.8950(12) 0.3281(6) 0.104(8) Uani 1 d . . .
H253 H 0.2832 0.9009 0.3533 0.125 Uiso 1 calc R . .
C263 C 0.398(2) 0.9209(13) 0.3339(6) 0.123(11) Uani 1 d . . .
H263 H 0.4304 0.9425 0.3626 0.148 Uiso 1 calc R . .
C273 C 0.4383(11) 0.9156(9) 0.2989(6) 0.084(6) Uani 1 d . . .
H273 H 0.4993 0.9320 0.3033 0.101 Uiso 1 calc R . .
C283 C 0.3878(8) 0.8849(7) 0.2554(4) 0.049(3) Uani 1 d . . .
C293 C 0.4061(10) 0.8723(9) 0.2116(5) 0.062(4) Uani 1 d . . .
H293 H 0.4634 0.8773 0.2056 0.074 Uiso 1 calc R . .
Mo4 Mo 0.62944(6) 1.28913(6) 0.27709(3) 0.0331(2) Uani 1 d . . .
Br14 Br 0.49178(8) 1.30082(8) 0.20291(4) 0.0452(3) Uani 1 d . . .
Br24 Br 0.49940(9) 1.31575(9) 0.32020(4) 0.0550(4) Uani 1 d . . .
C214 C 0.6881(9) 1.4122(8) 0.3214(4) 0.052(3) Uani 1 d . . .
H214 H 0.6783 1.4172 0.3509 0.063 Uiso 1 calc R . .
C224 C 0.7631(8) 1.3720(8) 0.3107(4) 0.045(3) Uani 1 d . . .
H224 H 0.8103 1.3419 0.3314 0.054 Uiso 1 calc R . .
C234 C 0.7555(7) 1.3849(8) 0.2618(4) 0.039(3) Uani 1 d . . .
C244 C 0.8150(8) 1.3613(8) 0.2329(4) 0.049(3) Uani 1 d . . .
H244 H 0.8682 1.3279 0.2441 0.058 Uiso 1 calc R . .
C254 C 0.7898(9) 1.3899(9) 0.1888(4) 0.055(4) Uani 1 d . . .
H254 H 0.8279 1.3769 0.1694 0.066 Uiso 1 calc R . .
C264 C 0.7087(9) 1.4387(9) 0.1704(4) 0.051(3) Uani 1 d . . .
H264 H 0.6959 1.4584 0.1398 0.061 Uiso 1 calc R . .
C274 C 0.6502(8) 1.4572(8) 0.1957(4) 0.044(3) Uani 1 d . . .
H274 H 0.5950 1.4863 0.1827 0.052 Uiso 1 calc R . .
C284 C 0.6741(8) 1.4311(7) 0.2433(3) 0.037(3) Uani 1 d . . .
C294 C 0.6285(9) 1.4448(7) 0.2797(4) 0.043(3) Uani 1 d . . .
H294 H 0.5708 1.4701 0.2767 0.052 Uiso 1 calc R . .
C114 C 0.6756(9) 1.1755(8) 0.3264(5) 0.052(3) Uani 1 d . . .
H114 H 0.6835 1.1902 0.3575 0.063 Uiso 1 calc R . .
C134 C 0.7016(8) 1.1529(7) 0.2549(4) 0.042(3) Uani 1 d . . .
C144 C 0.7381(9) 1.1417(8) 0.2155(5) 0.056(4) Uani 1 d . . .
H144 H 0.7966 1.1618 0.2157 0.067 Uiso 1 calc R . .
C124 C 0.7416(8) 1.1834(9) 0.3017(5) 0.055(3) Uani 1 d . . .
H124 H 0.8009 1.2045 0.3132 0.066 Uiso 1 calc R . .
C154 C 0.6842(13) 1.1005(9) 0.1775(5) 0.070(5) Uani 1 d . . .
H154 H 0.7053 1.0953 0.1508 0.084 Uiso 1 calc R . .
C164 C 0.5989(13) 1.0661(10) 0.1772(5) 0.078(5) Uani 1 d . . .
H164 H 0.5684 1.0314 0.1519 0.094 Uiso 1 calc R . .
C174 C 0.5581(9) 1.0805(8) 0.2120(5) 0.059(4) Uani 1 d . . .
H174 H 0.4976 1.0643 0.2093 0.071 Uiso 1 calc R . .
C184 C 0.6122(8) 1.1219(7) 0.2531(4) 0.043(3) Uani 1 d . . .
C194 C 0.5934(10) 1.1414(8) 0.2967(4) 0.059(4) Uani 1 d . . .
H194 H 0.5379 1.1334 0.3044 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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
C111 Mo1 C211 140.2(5) . . ?
C111 Mo1 C191 36.5(4) . . ?
C211 Mo1 C191 104.7(5) . . ?
C111 Mo1 C221 106.0(5) . . ?
C211 Mo1 C221 35.8(4) . . ?
C191 Mo1 C221 74.5(5) . . ?
C111 Mo1 C121 36.0(4) . . ?
C211 Mo1 C121 152.0(4) . . ?
C191 Mo1 C121 60.4(5) . . ?
C221 Mo1 C121 134.4(4) . . ?
C111 Mo1 C291 153.3(4) . . ?
C211 Mo1 C291 36.0(4) . . ?
C191 Mo1 C291 133.0(5) . . ?
C221 Mo1 C291 58.8(4) . . ?
C121 Mo1 C291 166.6(4) . . ?
C111 Mo1 C231 97.6(4) . . ?
C211 Mo1 C231 58.5(4) . . ?
C191 Mo1 C231 82.3(4) . . ?
C221 Mo1 C231 35.2(3) . . ?
C121 Mo1 C231 133.6(4) . . ?
C291 Mo1 C231 56.9(4) . . ?
C111 Mo1 C181 58.5(4) . . ?
C211 Mo1 C181 95.3(4) . . ?
C191 Mo1 C181 35.0(4) . . ?
C221 Mo1 C181 81.4(4) . . ?
C121 Mo1 C181 58.5(4) . . ?
C291 Mo1 C181 131.2(4) . . ?
C231 Mo1 C181 105.9(4) . . ?
C111 Mo1 C131 56.8(4) . . ?
C211 Mo1 C131 117.4(4) . . ?
C191 Mo1 C131 56.3(4) . . ?
C221 Mo1 C131 113.3(4) . . ?
C121 Mo1 C131 34.8(3) . . ?
C291 Mo1 C131 147.1(4) . . ?
C231 Mo1 C131 137.0(4) . . ?
C181 Mo1 C131 32.5(3) . . ?
C111 Mo1 C281 120.3(4) . . ?
C211 Mo1 C281 57.6(4) . . ?
C191 Mo1 C281 115.1(4) . . ?
C221 Mo1 C281 57.2(4) . . ?
C121 Mo1 C281 148.7(3) . . ?
C291 Mo1 C281 33.5(3) . . ?
C231 Mo1 C281 33.4(3) . . ?
C181 Mo1 C281 137.5(4) . . ?
C131 Mo1 C281 170.0(4) . . ?
C111 Mo1 Br21 126.4(3) . . ?
C211 Mo1 Br21 84.5(3) . . ?
C191 Mo1 Br21 133.7(3) . . ?
C221 Mo1 Br21 119.3(3) . . ?
C121 Mo1 Br21 90.4(3) . . ?
C291 Mo1 Br21 79.2(3) . . ?
C231 Mo1 Br21 136.0(3) . . ?
C181 Mo1 Br21 100.0(2) . . ?
C131 Mo1 Br21 78.9(3) . . ?
C281 Mo1 Br21 108.1(2) . . ?
C111 Mo1 Br11 84.8(3) . . ?
C211 Mo1 Br11 127.7(3) . . ?
C191 Mo1 Br11 120.0(3) . . ?
C221 Mo1 Br11 134.3(3) . . ?
C121 Mo1 Br11 78.6(3) . . ?
C291 Mo1 Br11 91.8(3) . . ?
C231 Mo1 Br11 100.3(2) . . ?
C181 Mo1 Br11 136.9(3) . . ?
C131 Mo1 Br11 109.6(3) . . ?
C281 Mo1 Br11 78.7(2) . . ?
Br21 Mo1 Br11 83.32(5) . . ?
C111 C191 C181 108.0(11) . . ?
C111 C191 Mo1 70.9(6) . . ?
C181 C191 Mo1 79.1(6) . . ?
C131 C181 C191 106.5(10) . . ?
C131 C181 C171 122.2(10) . . ?
C191 C181 C171 131.2(11) . . ?
C131 C181 Mo1 75.1(6) . . ?
C191 C181 Mo1 65.9(6) . . ?
C171 C181 Mo1 126.7(8) . . ?
C161 C171 C181 116.0(11) . . ?
C171 C161 C151 122.1(11) . . ?
C141 C151 C161 122.7(11) . . ?
C151 C141 C131 117.1(11) . . ?
C181 C131 C121 111.0(9) . . ?
C181 C131 C141 119.7(10) . . ?
C121 C131 C141 129.3(11) . . ?
C181 C131 Mo1 72.4(6) . . ?
C121 C131 Mo1 66.1(5) . . ?
C141 C131 Mo1 129.4(7) . . ?
C111 C121 C131 104.6(10) . . ?
C111 C121 Mo1 69.7(6) . . ?
C131 C121 Mo1 79.1(6) . . ?
C121 C111 C191 109.3(10) . . ?
C121 C111 Mo1 74.3(6) . . ?
C191 C111 Mo1 72.7(7) . . ?
C221 C211 C291 107.0(10) . . ?
C221 C211 Mo1 73.2(7) . . ?
C291 C211 Mo1 74.2(6) . . ?
C211 C221 C231 108.2(10) . . ?
C211 C221 Mo1 71.0(6) . . ?
C231 C221 Mo1 77.5(6) . . ?
C281 C231 C241 120.6(10) . . ?
C281 C231 C221 107.9(9) . . ?
C241 C231 C221 131.4(11) . . ?
C281 C231 Mo1 76.3(6) . . ?
C241 C231 Mo1 125.6(8) . . ?
C221 C231 Mo1 67.3(6) . . ?
C251 C241 C231 116.3(13) . . ?
C241 C251 C261 123.5(13) . . ?
C271 C261 C251 121.2(11) . . ?
C261 C271 C281 118.9(12) . . ?
C291 C281 C271 133.8(11) . . ?
C291 C281 C231 106.8(9) . . ?
C271 C281 C231 119.4(10) . . ?
C291 C281 Mo1 66.0(6) . . ?
C271 C281 Mo1 129.7(8) . . ?
C231 C281 Mo1 70.3(6) . . ?
C281 C291 C211 109.9(11) . . ?
C281 C291 Mo1 80.4(6) . . ?
C211 C291 Mo1 69.9(6) . . ?
C112 Mo2 C212 140.7(5) . . ?
C112 Mo2 C192 36.4(4) . . ?
C212 Mo2 C192 106.3(5) . . ?
C112 Mo2 C222 151.3(4) . . ?
C212 Mo2 C222 35.8(4) . . ?
C192 Mo2 C222 134.2(4) . . ?
C112 Mo2 C292 106.2(5) . . ?
C212 Mo2 C292 35.3(4) . . ?
C192 Mo2 C292 75.5(4) . . ?
C222 Mo2 C292 59.3(4) . . ?
C112 Mo2 C122 35.7(4) . . ?
C212 Mo2 C122 155.3(4) . . ?
C192 Mo2 C122 59.6(4) . . ?
C222 Mo2 C122 165.8(4) . . ?
C292 Mo2 C122 134.8(5) . . ?
C112 Mo2 C182 58.5(4) . . ?
C212 Mo2 C182 98.6(4) . . ?
C192 Mo2 C182 35.0(3) . . ?
C222 Mo2 C182 134.4(4) . . ?
C292 Mo2 C182 83.3(4) . . ?
C122 Mo2 C182 57.7(4) . . ?
C112 Mo2 C282 95.3(5) . . ?
C212 Mo2 C282 57.7(4) . . ?
C192 Mo2 C282 80.9(4) . . ?
C222 Mo2 C282 58.2(4) . . ?
C292 Mo2 C282 34.6(4) . . ?
C122 Mo2 C282 131.0(4) . . ?
C182 Mo2 C282 105.3(4) . . ?
C112 Mo2 C232 116.6(4) . . ?
C212 Mo2 C232 57.4(4) . . ?
C192 Mo2 C232 113.4(4) . . ?
C222 Mo2 C232 34.9(3) . . ?
C292 Mo2 C232 57.0(4) . . ?
C122 Mo2 C232 144.9(4) . . ?
C182 Mo2 C232 138.1(4) . . ?
C282 Mo2 C232 33.6(4) . . ?
C112 Mo2 C132 56.4(4) . . ?
C212 Mo2 C132 122.3(4) . . ?
C192 Mo2 C132 56.5(4) . . ?
C222 Mo2 C132 150.9(4) . . ?
C292 Mo2 C132 116.0(4) . . ?
C122 Mo2 C132 33.5(3) . . ?
C182 Mo2 C132 33.2(3) . . ?
C282 Mo2 C132 136.4(4) . . ?
C232 Mo2 C132 169.9(4) . . ?
C112 Mo2 Br12 128.9(4) . . ?
C212 Mo2 Br12 83.2(3) . . ?
C192 Mo2 Br12 134.2(3) . . ?
C222 Mo2 Br12 78.1(3) . . ?
C292 Mo2 Br12 117.1(3) . . ?
C122 Mo2 Br12 93.2(3) . . ?
C182 Mo2 Br12 100.0(2) . . ?
C282 Mo2 Br12 135.8(3) . . ?
C232 Mo2 Br12 109.3(3) . . ?
C132 Mo2 Br12 80.2(3) . . ?
C112 Mo2 Br22 84.9(3) . . ?
C212 Mo2 Br22 125.7(3) . . ?
C192 Mo2 Br22 120.5(3) . . ?
C222 Mo2 Br22 90.0(3) . . ?
C292 Mo2 Br22 135.0(3) . . ?
C122 Mo2 Br22 77.7(3) . . ?
C182 Mo2 Br22 135.4(3) . . ?
C282 Mo2 Br22 102.4(3) . . ?
C232 Mo2 Br22 78.7(2) . . ?
C132 Mo2 Br22 106.5(3) . . ?
Br12 Mo2 Br22 83.00(5) . . ?
C122 C112 C192 108.3(10) . . ?
C122 C112 Mo2 74.6(7) . . ?
C192 C112 Mo2 72.7(6) . . ?
C112 C122 C132 107.9(11) . . ?
C112 C122 Mo2 69.7(7) . . ?
C132 C122 Mo2 81.9(7) . . ?
C122 C132 C182 108.3(10) . . ?
C122 C132 C142 132.1(11) . . ?
C182 C132 C142 119.5(10) . . ?
C122 C132 Mo2 64.7(6) . . ?
C182 C132 Mo2 69.9(6) . . ?
C142 C132 Mo2 129.3(7) . . ?
C152 C142 C132 117.8(11) . . ?
C142 C152 C162 121.2(11) . . ?
C172 C162 C152 122.6(11) . . ?
C162 C172 C182 118.8(11) . . ?
C172 C182 C132 119.7(10) . . ?
C172 C182 C192 133.5(10) . . ?
C132 C182 C192 106.6(9) . . ?
C172 C182 Mo2 126.6(8) . . ?
C132 C182 Mo2 76.9(6) . . ?
C192 C182 Mo2 66.1(6) . . ?
C112 C192 C182 108.1(10) . . ?
C112 C192 Mo2 70.9(6) . . ?
C182 C192 Mo2 78.9(6) . . ?
C292 C212 C222 109.5(11) . . ?
C292 C212 Mo2 73.9(7) . . ?
C222 C212 Mo2 73.5(6) . . ?
C212 C222 C232 106.6(11) . . ?
C212 C222 Mo2 70.8(7) . . ?
C232 C222 Mo2 78.8(6) . . ?
C242 C232 C282 119.7(10) . . ?
C242 C232 C222 132.1(11) . . ?
C282 C232 C222 108.1(9) . . ?
C242 C232 Mo2 128.1(8) . . ?
C282 C232 Mo2 72.8(6) . . ?
C222 C232 Mo2 66.3(6) . . ?
C252 C242 C232 116.9(12) . . ?
C242 C252 C262 123.5(11) . . ?
C272 C262 C252 121.8(12) . . ?
C262 C272 C282 118.0(12) . . ?
C292 C282 C232 106.6(10) . . ?
C292 C282 C272 133.7(12) . . ?
C232 C282 C272 119.6(10) . . ?
C292 C282 Mo2 67.0(6) . . ?
C232 C282 Mo2 73.6(6) . . ?
C272 C282 Mo2 123.1(9) . . ?
C212 C292 C282 108.9(11) . . ?
C212 C292 Mo2 70.8(6) . . ?
C282 C292 Mo2 78.5(6) . . ?
C113 Mo3 C213 101.0(5) . . ?
C113 Mo3 C193 36.9(4) . . ?
C213 Mo3 C193 136.8(5) . . ?
C113 Mo3 C223 100.2(5) . . ?
C213 Mo3 C223 36.3(4) . . ?
C193 Mo3 C223 132.8(5) . . ?
C113 Mo3 C293 132.0(5) . . ?
C213 Mo3 C293 36.0(5) . . ?
C193 Mo3 C293 155.4(4) . . ?
C223 Mo3 C293 59.4(5) . . ?
C113 Mo3 C123 35.8(4) . . ?
C213 Mo3 C123 92.0(5) . . ?
C193 Mo3 C123 59.7(4) . . ?
C223 Mo3 C123 73.1(4) . . ?
C293 Mo3 C123 127.5(5) . . ?
C113 Mo3 C233 130.6(5) . . ?
C213 Mo3 C233 58.2(4) . . ?
C193 Mo3 C233 147.5(4) . . ?
C223 Mo3 C233 35.4(4) . . ?
C293 Mo3 C233 56.4(4) . . ?
C123 Mo3 C233 96.5(4) . . ?
C113 Mo3 C183 58.3(4) . . ?
C213 Mo3 C183 148.5(5) . . ?
C193 Mo3 C183 34.7(4) . . ?
C223 Mo3 C183 118.5(4) . . ?
C293 Mo3 C183 168.9(4) . . ?
C123 Mo3 C183 57.0(4) . . ?
C233 Mo3 C183 114.9(4) . . ?
C113 Mo3 C133 58.0(4) . . ?
C213 Mo3 C133 116.8(5) . . ?
C193 Mo3 C133 57.8(4) . . ?
C223 Mo3 C133 85.4(4) . . ?
C293 Mo3 C133 143.6(4) . . ?
C123 Mo3 C133 34.3(4) . . ?
C233 Mo3 C133 90.0(4) . . ?
C183 Mo3 C133 33.3(4) . . ?
C113 Mo3 C283 156.4(4) . . ?
C213 Mo3 C283 57.2(4) . . ?
C193 Mo3 C283 166.0(4) . . ?
C223 Mo3 C283 57.3(4) . . ?
C293 Mo3 C283 33.3(4) . . ?
C123 Mo3 C283 128.1(4) . . ?
C233 Mo3 C283 32.7(4) . . ?
C183 Mo3 C283 135.7(4) . . ?
C133 Mo3 C283 120.6(4) . . ?
C113 Mo3 Br23 124.7(4) . . ?
C213 Mo3 Br23 129.6(4) . . ?
C193 Mo3 Br23 88.2(3) . . ?
C223 Mo3 Br23 133.1(3) . . ?
C293 Mo3 Br23 93.6(4) . . ?
C123 Mo3 Br23 137.3(3) . . ?
C233 Mo3 Br23 98.2(3) . . ?
C183 Mo3 Br23 80.4(3) . . ?
C133 Mo3 Br23 105.9(3) . . ?
C283 Mo3 Br23 78.9(3) . . ?
C113 Mo3 Br13 80.3(3) . . ?
C213 Mo3 Br13 85.8(3) . . ?
C193 Mo3 Br13 78.6(3) . . ?
C223 Mo3 Br13 121.7(3) . . ?
C293 Mo3 Br13 77.3(3) . . ?
C123 Mo3 Br13 114.3(3) . . ?
C233 Mo3 Br13 133.7(3) . . ?
C183 Mo3 Br13 110.9(3) . . ?
C133 Mo3 Br13 134.7(3) . . ?
C283 Mo3 Br13 104.7(3) . . ?
Br23 Mo3 Br13 82.36(5) . . ?
C123 C113 C193 107.8(11) . . ?
C123 C113 Mo3 75.5(7) . . ?
C193 C113 Mo3 72.4(7) . . ?
C113 C123 C133 108.3(11) . . ?
C113 C123 Mo3 68.7(6) . . ?
C133 C123 Mo3 78.0(6) . . ?
C143 C133 C183 119.5(10) . . ?
C143 C133 C123 132.3(11) . . ?
C183 C133 C123 108.2(10) . . ?
C143 C133 Mo3 126.5(8) . . ?
C183 C133 Mo3 73.4(6) . . ?
C123 C133 Mo3 67.8(6) . . ?
C153 C143 C133 119.3(13) . . ?
C143 C153 C163 121.1(12) . . ?
C173 C163 C153 123.4(13) . . ?
C163 C173 C183 115.1(13) . . ?
C133 C183 C173 121.4(11) . . ?
C133 C183 C193 107.9(10) . . ?
C173 C183 C193 130.7(12) . . ?
C133 C183 Mo3 73.4(6) . . ?
C173 C183 Mo3 128.5(8) . . ?
C193 C183 Mo3 65.0(6) . . ?
C183 C193 C113 107.6(11) . . ?
C183 C193 Mo3 80.3(7) . . ?
C113 C193 Mo3 70.7(7) . . ?
C293 C213 C223 107.5(11) . . ?
C293 C213 Mo3 74.0(7) . . ?
C223 C213 Mo3 73.2(7) . . ?
C213 C223 C233 106.4(11) . . ?
C213 C223 Mo3 70.5(7) . . ?
C233 C223 Mo3 78.2(7) . . ?
C283 C233 C243 120.4(12) . . ?
C283 C233 C223 109.3(10) . . ?
C243 C233 C223 130.0(13) . . ?
C283 C233 Mo3 77.6(7) . . ?
C243 C233 Mo3 126.8(8) . . ?
C223 C233 Mo3 66.4(6) . . ?
C253 C243 C233 116.3(16) . . ?
C243 C253 C263 124.0(18) . . ?
C273 C263 C253 121.0(18) . . ?
C263 C273 C283 119.2(17) . . ?
C273 C283 C233 119.0(13) . . ?
C273 C283 C293 135.1(14) . . ?
C233 C283 C293 105.9(11) . . ?
C273 C283 Mo3 130.6(9) . . ?
C233 C283 Mo3 69.7(6) . . ?
C293 C283 Mo3 63.9(6) . . ?
C213 C293 C283 110.3(12) . . ?
C213 C293 Mo3 70.0(7) . . ?
C283 C293 Mo3 82.8(7) . . ?
C114 Mo4 C294 136.8(5) . . ?
C114 Mo4 C214 100.9(5) . . ?
C294 Mo4 C214 36.6(4) . . ?
C114 Mo4 C124 35.9(4) . . ?
C294 Mo4 C124 132.4(5) . . ?
C214 Mo4 C124 101.0(5) . . ?
C114 Mo4 C194 36.6(4) . . ?
C294 Mo4 C194 155.5(4) . . ?
C214 Mo4 C194 131.6(4) . . ?
C124 Mo4 C194 59.9(5) . . ?
C114 Mo4 C224 90.1(5) . . ?
C294 Mo4 C224 59.1(4) . . ?
C214 Mo4 C224 34.7(4) . . ?
C124 Mo4 C224 73.3(4) . . ?
C194 Mo4 C224 126.5(5) . . ?
C114 Mo4 C134 58.8(4) . . ?
C294 Mo4 C134 146.2(4) . . ?
C214 Mo4 C134 131.5(5) . . ?
C124 Mo4 C134 35.6(4) . . ?
C194 Mo4 C134 57.7(4) . . ?
C224 Mo4 C134 97.8(4) . . ?
C114 Mo4 C284 145.7(4) . . ?
C294 Mo4 C284 35.1(3) . . ?
C214 Mo4 C284 58.0(4) . . ?
C124 Mo4 C284 116.1(4) . . ?
C194 Mo4 C284 169.0(4) . . ?
C224 Mo4 C284 56.7(4) . . ?
C134 Mo4 C284 112.6(4) . . ?
C114 Mo4 C234 114.1(4) . . ?
C294 Mo4 C234 57.4(4) . . ?
C214 Mo4 C234 57.3(4) . . ?
C124 Mo4 C234 83.8(4) . . ?
C194 Mo4 C234 143.0(4) . . ?
C224 Mo4 C234 34.6(3) . . ?
C134 Mo4 C234 89.4(4) . . ?
C284 Mo4 C234 32.6(3) . . ?
C114 Mo4 C184 57.5(4) . . ?
C294 Mo4 C184 165.8(4) . . ?
C214 Mo4 C184 156.9(4) . . ?
C124 Mo4 C184 57.2(4) . . ?
C194 Mo4 C184 33.8(4) . . ?
C224 Mo4 C184 129.0(4) . . ?
C134 Mo4 C184 33.1(4) . . ?
C284 Mo4 C184 135.2(3) . . ?
C234 Mo4 C184 121.0(4) . . ?
C114 Mo4 Br24 86.4(3) . . ?
C294 Mo4 Br24 79.9(3) . . ?
C214 Mo4 Br24 80.4(3) . . ?
C124 Mo4 Br24 122.1(3) . . ?
C194 Mo4 Br24 76.3(3) . . ?
C224 Mo4 Br24 112.7(3) . . ?
C134 Mo4 Br24 133.9(3) . . ?
C284 Mo4 Br24 113.0(3) . . ?
C234 Mo4 Br24 134.9(3) . . ?
C184 Mo4 Br24 104.0(3) . . ?
C114 Mo4 Br14 131.3(4) . . ?
C294 Mo4 Br14 87.4(3) . . ?
C214 Mo4 Br14 123.4(3) . . ?
C124 Mo4 Br14 133.3(3) . . ?
C194 Mo4 Br14 94.8(4) . . ?
C224 Mo4 Br14 137.8(3) . . ?
C134 Mo4 Br14 98.0(3) . . ?
C284 Mo4 Br14 81.0(3) . . ?
C234 Mo4 Br14 107.0(2) . . ?
C184 Mo4 Br14 79.6(3) . . ?
Br24 Mo4 Br14 82.41(5) . . ?
C224 C214 C294 108.7(10) . . ?
C224 C214 Mo4 76.0(7) . . ?
C294 C214 Mo4 71.4(6) . . ?
C214 C224 C234 108.2(11) . . ?
C214 C224 Mo4 69.3(7) . . ?
C234 C224 Mo4 77.9(6) . . ?
C284 C234 C244 120.3(9) . . ?
C284 C234 C224 107.7(10) . . ?
C244 C234 C224 132.0(11) . . ?
C284 C234 Mo4 72.5(6) . . ?
C244 C234 Mo4 126.9(8) . . ?
C224 C234 Mo4 67.5(6) . . ?
C254 C244 C234 116.4(11) . . ?
C244 C254 C264 123.3(11) . . ?
C274 C264 C254 121.5(10) . . ?
C264 C274 C284 118.0(11) . . ?
C234 C284 C274 120.3(10) . . ?
C234 C284 C294 108.2(9) . . ?
C274 C284 C294 131.6(11) . . ?
C234 C284 Mo4 74.9(6) . . ?
C274 C284 Mo4 126.9(7) . . ?
C294 C284 Mo4 64.9(6) . . ?
C214 C294 C284 107.0(11) . . ?
C214 C294 Mo4 72.0(6) . . ?
C284 C294 Mo4 80.1(6) . . ?
C124 C114 C194 109.5(12) . . ?
C124 C114 Mo4 74.7(7) . . ?
C194 C114 Mo4 76.3(7) . . ?
C184 C134 C144 119.6(12) . . ?
C184 C134 C124 107.6(10) . . ?
C144 C134 C124 132.4(12) . . ?
C184 C134 Mo4 77.2(6) . . ?
C144 C134 Mo4 127.5(8) . . ?
C124 C134 Mo4 66.3(6) . . ?
C154 C144 C134 117.5(13) . . ?
C114 C124 C134 107.5(11) . . ?
C114 C124 Mo4 69.3(7) . . ?
C134 C124 Mo4 78.1(7) . . ?
C144 C154 C164 122.1(13) . . ?
C174 C164 C154 123.0(14) . . ?
C164 C174 C184 116.8(13) . . ?
C134 C184 C194 107.9(11) . . ?
C134 C184 C174 120.4(11) . . ?
C194 C184 C174 131.7(12) . . ?
C134 C184 Mo4 69.7(6) . . ?
C194 C184 Mo4 65.3(6) . . ?
C174 C184 Mo4 130.1(8) . . ?
C184 C194 C114 107.1(11) . . ?
C184 C194 Mo4 80.9(6) . . ?
C114 C194 Mo4 67.2(7) . . ?
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 C111 2.242(11) . ?
Mo1 C211 2.260(11) . ?
Mo1 C191 2.266(11) . ?
Mo1 C221 2.288(11) . ?
Mo1 C121 2.301(10) . ?
Mo1 C291 2.315(10) . ?
Mo1 C231 2.421(9) . ?
Mo1 C181 2.438(10) . ?
Mo1 C131 2.472(10) . ?
Mo1 C281 2.499(10) . ?
Mo1 Br21 2.6143(14) . ?
Mo1 Br11 2.6353(14) . ?
C191 C111 1.411(17) . ?
C191 C181 1.423(14) . ?
C181 C131 1.375(15) . ?
C181 C171 1.423(15) . ?
C171 C161 1.357(16) . ?
C161 C151 1.408(16) . ?
C151 C141 1.330(14) . ?
C141 C131 1.446(14) . ?
C131 C121 1.438(14) . ?
C121 C111 1.407(15) . ?
C211 C221 1.399(16) . ?
C211 C291 1.413(16) . ?
C221 C231 1.430(14) . ?
C231 C281 1.414(14) . ?
C231 C241 1.415(15) . ?
C241 C251 1.361(17) . ?
C251 C261 1.378(18) . ?
C261 C271 1.342(17) . ?
C271 C281 1.409(14) . ?
C281 C291 1.400(14) . ?
Mo2 C112 2.251(11) . ?
Mo2 C212 2.268(11) . ?
Mo2 C192 2.275(10) . ?
Mo2 C222 2.303(12) . ?
Mo2 C292 2.307(11) . ?
Mo2 C122 2.313(11) . ?
Mo2 C182 2.442(10) . ?
Mo2 C282 2.456(11) . ?
Mo2 C232 2.466(10) . ?
Mo2 C132 2.534(11) . ?
Mo2 Br12 2.6181(14) . ?
Mo2 Br22 2.6291(14) . ?
C112 C122 1.400(17) . ?
C112 C192 1.414(16) . ?
C122 C132 1.411(14) . ?
C132 C182 1.424(15) . ?
C132 C142 1.436(15) . ?
C142 C152 1.358(16) . ?
C152 C162 1.415(17) . ?
C162 C172 1.327(15) . ?
C172 C182 1.420(14) . ?
C182 C192 1.428(14) . ?
C212 C292 1.387(16) . ?
C212 C222 1.404(16) . ?
C222 C232 1.439(14) . ?
C232 C242 1.424(14) . ?
C232 C282 1.424(15) . ?
C242 C252 1.364(17) . ?
C252 C262 1.395(18) . ?
C262 C272 1.326(17) . ?
C272 C282 1.447(15) . ?
C282 C292 1.422(14) . ?
Mo3 C113 2.248(12) . ?
Mo3 C213 2.254(12) . ?
Mo3 C193 2.271(11) . ?
Mo3 C223 2.290(11) . ?
Mo3 C293 2.305(12) . ?
Mo3 C123 2.337(11) . ?
Mo3 C233 2.445(11) . ?
Mo3 C183 2.469(11) . ?
Mo3 C133 2.469(10) . ?
Mo3 C283 2.546(11) . ?
Mo3 Br23 2.6438(15) . ?
Mo3 Br13 2.6458(14) . ?
C113 C123 1.410(17) . ?
C113 C193 1.431(17) . ?
C123 C133 1.422(14) . ?
C133 C143 1.403(15) . ?
C133 C183 1.413(15) . ?
C143 C153 1.337(18) . ?
C153 C163 1.40(2) . ?
C163 C173 1.375(18) . ?
C173 C183 1.425(16) . ?
C183 C193 1.426(16) . ?
C213 C293 1.409(19) . ?
C213 C223 1.415(17) . ?
C223 C233 1.446(16) . ?
C233 C283 1.409(16) . ?
C233 C243 1.410(16) . ?
C243 C253 1.35(2) . ?
C253 C263 1.36(3) . ?
C263 C273 1.34(3) . ?
C273 C283 1.404(17) . ?
C283 C293 1.410(17) . ?
Mo4 C114 2.204(11) . ?
Mo4 C294 2.262(11) . ?
Mo4 C214 2.269(12) . ?
Mo4 C124 2.273(12) . ?
Mo4 C194 2.324(11) . ?
Mo4 C224 2.355(11) . ?
Mo4 C134 2.429(10) . ?
Mo4 C284 2.461(10) . ?
Mo4 C234 2.492(10) . ?
Mo4 C184 2.527(11) . ?
Mo4 Br24 2.6297(14) . ?
Mo4 Br14 2.6415(15) . ?
C214 C224 1.381(16) . ?
C214 C294 1.423(16) . ?
C224 C234 1.446(14) . ?
C234 C284 1.391(15) . ?
C234 C244 1.431(15) . ?
C244 C254 1.339(16) . ?
C254 C264 1.405(17) . ?
C264 C274 1.323(16) . ?
C274 C284 1.426(14) . ?
C284 C294 1.436(14) . ?
C114 C124 1.383(16) . ?
C114 C194 1.425(18) . ?
C134 C184 1.415(16) . ?
C134 C144 1.424(15) . ?
C134 C124 1.446(16) . ?
C144 C154 1.360(19) . ?
C154 C164 1.38(2) . ?
C164 C174 1.346(19) . ?
C174 C184 1.428(17) . ?
C184 C194 1.423(16) . ?
