#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:12:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179780 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/76/7007659.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_7007659
loop_
_publ_author_name
'Cotton, F. Albert'
'Murillo, Carlos A.'
'Wang, Xiaoping'
'Wilkinson, Chad C.'
_publ_section_title
;
 Strong reducing agents containing dimolybdenum Mo2(4+) units and their
 oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic
 guanidinate anions with a seven-membered ring.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4623
_journal_page_last               4631
_journal_paper_doi               10.1039/b608422b
_journal_year                    2006
_chemical_formula_moiety         'C30 H52 Cl5 Mo2 N12'
_chemical_formula_sum            'C30 H52 Cl5 Mo2 N12'
_chemical_formula_weight         949.97
_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                98.855(2)
_cell_angle_beta                 104.043(2)
_cell_angle_gamma                117.894(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8255(11)
_cell_length_b                   12.5118(12)
_cell_length_c                   16.3372(16)
_cell_measurement_reflns_used    5954
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.5505
_cell_measurement_theta_min      2.4665
_cell_volume                     1969.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    XP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11586
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.016
_exptl_absorpt_correction_T_max  0.8304
_exptl_absorpt_correction_T_min  0.7853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             970
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.026
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         6849
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0665P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1198
_reflns_number_gt                5275
_reflns_number_total             6849
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b608422b.txt
_cod_data_source_block           2twoCH2Cl2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007659
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
Mo2 Mo 1.00352(3) 0.99186(3) 0.06559(2) 0.02475(12) Uani 1 1 d . . .
Mo1 Mo 0.98965(3) 0.98831(3) 0.43083(2) 0.02684(13) Uani 1 1 d . . .
Cl1 Cl 0.99183(11) 0.98487(11) 0.24730(7) 0.0409(3) Uani 1 1 d . . .
N10 N 0.8115(3) 0.9768(3) 0.0406(2) 0.0306(8) Uani 1 1 d . . .
N8 N 0.8957(3) 0.7884(3) 0.0181(2) 0.0322(8) Uani 1 1 d . . .
N6 N 0.5762(3) 0.8104(4) 0.4320(2) 0.0386(9) Uani 1 1 d . . .
N5 N 0.7693(3) 0.8704(3) 0.3823(2) 0.0318(8) Uani 1 1 d . . .
N12 N 0.6089(4) 0.9409(4) -0.0495(2) 0.0361(9) Uani 1 1 d . . .
C3 C 0.9672(4) 1.2072(4) 0.5102(3) 0.0323(10) Uani 1 1 d . . .
C10 C 0.7159(4) 0.8625(4) 0.4453(3) 0.0297(9) Uani 1 1 d . . .
C24 C 0.7425(4) 0.9712(4) -0.0399(3) 0.0283(9) Uani 1 1 d . . .
N3 N 0.9366(4) 1.3016(4) 0.5017(3) 0.0441(10) Uani 1 1 d . . .
C17 C 0.8444(4) 0.7371(4) -0.0693(3) 0.0336(10) Uani 1 1 d . . .
N9 N 0.7499(4) 0.6069(4) -0.1170(3) 0.0494(10) Uani 1 1 d . . .
N1 N 0.9688(3) 1.1481(3) 0.4357(2) 0.0311(8) Uani 1 1 d . . .
C22 C 0.7256(5) 0.9552(5) 0.0945(3) 0.0458(12) Uani 1 1 d . . .
H22A H 0.7536 1.0354 0.1369 0.055 Uiso 1 1 calc R . .
H22B H 0.7302 0.8969 0.1272 0.055 Uiso 1 1 calc R . .
C14 C 0.6816(4) 0.7903(4) 0.2899(3) 0.0368(10) Uani 1 1 d . . .
H14A H 0.6311 0.7016 0.2892 0.044 Uiso 1 1 calc R . .
H14B H 0.7410 0.7964 0.2559 0.044 Uiso 1 1 calc R . .
C13 C 0.5785(4) 0.8210(5) 0.2421(3) 0.0447(12) Uani 1 1 d . . .
H13A H 0.5439 0.7778 0.1782 0.054 Uiso 1 1 calc R . .
H13B H 0.6254 0.9129 0.2513 0.054 Uiso 1 1 calc R . .
C7 C 1.0308(5) 1.2662(5) 0.6694(3) 0.0467(12) Uani 1 1 d . . .
H7A H 1.1050 1.3508 0.6751 0.056 Uiso 1 1 calc R . .
H7B H 1.0666 1.2388 0.7170 0.056 Uiso 1 1 calc R . .
C8 C 0.7074(4) 0.8735(5) 0.5836(3) 0.0419(11) Uani 1 1 d . . .
H8A H 0.7453 0.9477 0.6353 0.050 Uiso 1 1 calc R . .
H8B H 0.6985 0.8014 0.6043 0.050 Uiso 1 1 calc R . .
C21 C 0.8820(5) 0.7051(4) 0.0742(3) 0.0474(13) Uani 1 1 d . . .
H21A H 0.9407 0.7589 0.1357 0.057 Uiso 1 1 calc R . .
H21B H 0.9179 0.6525 0.0563 0.057 Uiso 1 1 calc R . .
C1 C 0.9282(6) 1.1950(5) 0.3636(3) 0.0486(13) Uani 1 1 d . . .
H1A H 0.8431 1.1262 0.3161 0.058 Uiso 1 1 calc R . .
H1B H 1.0002 1.2303 0.3386 0.058 Uiso 1 1 calc R . .
C27 C 0.6068(5) 0.9279(6) -0.2426(3) 0.0542(14) Uani 1 1 d . . .
H27A H 0.6054 0.8485 -0.2591 0.065 Uiso 1 1 calc R . .
H27B H 0.5927 0.9537 -0.2961 0.065 Uiso 1 1 calc R . .
C28 C 0.7464(5) 1.0299(5) -0.1740(3) 0.0413(11) Uani 1 1 d . . .
H28A H 0.8120 1.0570 -0.2046 0.050 Uiso 1 1 calc R . .
H28B H 0.7409 1.1035 -0.1504 0.050 Uiso 1 1 calc R . .
C20 C 0.7414(6) 0.6188(5) 0.0727(3) 0.0625(16) Uani 1 1 d . . .
H20A H 0.6970 0.6674 0.0784 0.075 Uiso 1 1 calc R . .
H20B H 0.7488 0.5876 0.1241 0.075 Uiso 1 1 calc R . .
C9 C 0.5702(5) 0.8414(5) 0.5213(3) 0.0524(14) Uani 1 1 d . . .
H9A H 0.4945 0.7685 0.5280 0.063 Uiso 1 1 calc R . .
H9B H 0.5585 0.9142 0.5323 0.063 Uiso 1 1 calc R . .
C12 C 0.4573(5) 0.7816(5) 0.2730(3) 0.0505(13) Uani 1 1 d . . .
H12A H 0.3932 0.8001 0.2372 0.061 Uiso 1 1 calc R . .
H12B H 0.4091 0.6895 0.2627 0.061 Uiso 1 1 calc R . .
C23 C 0.5821(5) 0.8961(5) 0.0263(3) 0.0480(13) Uani 1 1 d . . .
H23A H 0.5321 0.8030 0.0093 0.058 Uiso 1 1 calc R . .
H23B H 0.5294 0.9261 0.0493 0.058 Uiso 1 1 calc R . .
C15 C 0.8099(6) 0.7291(5) -0.2141(3) 0.0547(14) Uani 1 1 d . . .
H15A H 0.8738 0.7318 -0.2434 0.066 Uiso 1 1 calc R . .
H15B H 0.7541 0.7585 -0.2460 0.066 Uiso 1 1 calc R . .
C6 C 0.9177(6) 1.2788(6) 0.6846(4) 0.0622(15) Uani 1 1 d . . .
H6A H 0.9440 1.3173 0.7483 0.075 Uiso 1 1 calc R . .
H6B H 0.8355 1.1937 0.6663 0.075 Uiso 1 1 calc R . .
C18 C 0.6278(5) 0.5419(5) -0.0947(4) 0.0606(15) Uani 1 1 d . . .
H18A H 0.5579 0.4646 -0.1442 0.073 Uiso 1 1 calc R . .
H18B H 0.5912 0.5973 -0.0878 0.073 Uiso 1 1 calc R . .
C5 C 0.8833(7) 1.3582(6) 0.6353(4) 0.0629(16) Uani 1 1 d . . .
H5A H 0.9647 1.4443 0.6560 0.075 Uiso 1 1 calc R . .
H5B H 0.8113 1.3648 0.6507 0.075 Uiso 1 1 calc R . .
C4 C 0.8352(6) 1.3079(6) 0.5341(4) 0.0583(15) Uani 1 1 d . . .
H4A H 0.7527 1.2225 0.5130 0.070 Uiso 1 1 calc R . .
H4B H 0.8098 1.3629 0.5084 0.070 Uiso 1 1 calc R . .
C16 C 0.7211(7) 0.5980(6) -0.2127(4) 0.083(2) Uani 1 1 d . . .
H16A H 0.7432 0.5397 -0.2420 0.100 Uiso 1 1 calc R . .
H16B H 0.6242 0.5670 -0.2432 0.100 Uiso 1 1 calc R . .
C11 C 0.4983(5) 0.8480(5) 0.3694(3) 0.0489(13) Uani 1 1 d . . .
H11A H 0.5544 0.9400 0.3806 0.059 Uiso 1 1 calc R . .
H11B H 0.4153 0.8303 0.3818 0.059 Uiso 1 1 calc R . .
C26 C 0.4897(5) 0.9036(6) -0.2103(3) 0.0685(18) Uani 1 1 d . . .
H26A H 0.4924 0.9834 -0.1923 0.082 Uiso 1 1 calc R . .
H26B H 0.4025 0.8431 -0.2594 0.082 Uiso 1 1 calc R . .
C25 C 0.4953(5) 0.8520(6) -0.1341(3) 0.0586(15) Uani 1 1 d . . .
H25A H 0.4086 0.8232 -0.1242 0.070 Uiso 1 1 calc R . .
H25B H 0.5021 0.7771 -0.1507 0.070 Uiso 1 1 calc R . .
C2 C 0.9078(8) 1.2957(6) 0.4060(4) 0.080(2) Uani 1 1 d . . .
H2A H 0.8135 1.2741 0.3775 0.096 Uiso 1 1 calc R . .
H2B H 0.9709 1.3779 0.4008 0.096 Uiso 1 1 calc R . .
C19 C 0.6522(6) 0.5058(5) -0.0112(4) 0.0680(17) Uani 1 1 d . . .
H19A H 0.6957 0.4561 -0.0159 0.082 Uiso 1 1 calc R . .
H19B H 0.5635 0.4511 -0.0063 0.082 Uiso 1 1 calc R . .
Cl2S Cl 0.3181(2) 0.4691(2) 0.44981(13) 0.0926(6) Uani 1 1 d . . .
Cl1S Cl 0.3616(2) 0.5462(2) 0.63617(15) 0.1152(7) Uani 1 1 d . . .
C1S C 0.3214(7) 0.4252(6) 0.5478(5) 0.080(2) Uani 1 1 d . . .
H1SA H 0.2313 0.3515 0.5375 0.096 Uiso 1 1 calc R . .
H1SB H 0.3890 0.4001 0.5619 0.096 Uiso 1 1 calc R . .
N4 N 0.7940(3) 0.9011(3) 0.5301(2) 0.0325(8) Uani 1 1 d . . .
N2 N 0.9974(4) 1.1789(3) 0.5846(2) 0.0324(8) Uani 1 1 d . . .
N11 N 0.8029(3) 0.9976(3) -0.0989(2) 0.0306(8) Uani 1 1 d . . .
N7 N 0.8842(3) 0.8084(3) -0.1217(2) 0.0323(8) Uani 1 1 d . . .
C2S C 0.9371(18) 0.4003(18) 0.0545(8) 0.073(3) Uani 0.363(4) 1 d PD A 1
H2SA H 0.9950 0.4926 0.0678 0.088 Uiso 0.363(4) 1 calc PR A 1
H2SB H 0.9981 0.3674 0.0585 0.088 Uiso 0.363(4) 1 calc PR A 1
Cl4S Cl 0.8792(9) 0.3777(9) 0.1387(5) 0.1172(13) Uani 0.363(4) 1 d PD A 1
Cl3S Cl 0.8376(16) 0.3448(15) -0.0495(7) 0.168(3) Uani 0.363(4) 1 d PD A 1
C2SA C 0.8897(11) 0.2913(10) 0.0759(5) 0.073(3) Uani 0.637(4) 1 d PD A 2
H2SC H 0.9855 0.3304 0.0801 0.088 Uiso 0.637(4) 1 calc PR A 2
H2SD H 0.8501 0.1991 0.0591 0.088 Uiso 0.637(4) 1 calc PR A 2
Cl4A Cl 0.8909(5) 0.3401(5) 0.1836(3) 0.1172(13) Uani 0.637(4) 1 d PD A 2
Cl3A Cl 0.8135(8) 0.3190(7) -0.0027(4) 0.168(3) Uani 0.637(4) 1 d PD A 2
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'
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
_geom_angle_publ_flag
N7 Mo2 N10 93.45(13) 2_775 . ?
N7 Mo2 N8 175.75(12) 2_775 . ?
N10 Mo2 N8 88.23(13) . . ?
N7 Mo2 N11 87.52(13) 2_775 2_775 ?
N10 Mo2 N11 175.93(11) . 2_775 ?
N8 Mo2 N11 90.53(13) . 2_775 ?
N7 Mo2 Mo2 91.15(9) 2_775 2_775 ?
N10 Mo2 Mo2 90.07(8) . 2_775 ?
N8 Mo2 Mo2 92.75(9) . 2_775 ?
N11 Mo2 Mo2 93.86(8) 2_775 2_775 ?
N7 Mo2 Cl1 85.67(9) 2_775 . ?
N10 Mo2 Cl1 83.55(9) . . ?
N8 Mo2 Cl1 90.66(9) . . ?
N11 Mo2 Cl1 92.59(9) 2_775 . ?
Mo2 Mo2 Cl1 172.67(3) 2_775 . ?
N1 Mo1 N4 93.47(13) . 2_776 ?
N1 Mo1 N2 175.72(12) . 2_776 ?
N4 Mo1 N2 88.33(13) 2_776 2_776 ?
N1 Mo1 N5 87.95(13) . . ?
N4 Mo1 N5 176.07(13) 2_776 . ?
N2 Mo1 N5 90.00(13) 2_776 . ?
N1 Mo1 Mo1 90.73(9) . 2_776 ?
N4 Mo1 Mo1 89.81(9) 2_776 2_776 ?
N2 Mo1 Mo1 93.15(9) 2_776 2_776 ?
N5 Mo1 Mo1 93.84(9) . 2_776 ?
N1 Mo1 Cl1 86.55(9) . . ?
N4 Mo1 Cl1 84.34(9) 2_776 . ?
N2 Mo1 Cl1 89.77(9) 2_776 . ?
N5 Mo1 Cl1 92.09(9) . . ?
Mo1 Mo1 Cl1 173.39(3) 2_776 . ?
Mo1 Cl1 Mo2 177.78(5) . . ?
C24 N10 C22 109.2(3) . . ?
C24 N10 Mo2 119.7(3) . . ?
C22 N10 Mo2 130.7(3) . . ?
C17 N8 C21 119.1(4) . . ?
C17 N8 Mo2 115.4(3) . . ?
C21 N8 Mo2 125.4(3) . . ?
C10 N6 C9 105.8(3) . . ?
C10 N6 C11 117.8(3) . . ?
C9 N6 C11 111.3(4) . . ?
C10 N5 C14 120.2(4) . . ?
C10 N5 Mo1 114.1(3) . . ?
C14 N5 Mo1 125.2(3) . . ?
C24 N12 C25 119.3(4) . . ?
C24 N12 C23 106.0(3) . . ?
C25 N12 C23 111.2(4) . . ?
N2 C3 N1 120.9(4) . . ?
N2 C3 N3 125.5(4) . . ?
N1 C3 N3 113.5(4) . . ?
N4 C10 N5 121.1(4) . . ?
N4 C10 N6 112.9(4) . . ?
N5 C10 N6 125.9(4) . . ?
N11 C24 N10 120.6(4) . . ?
N11 C24 N12 127.1(4) . . ?
N10 C24 N12 112.2(3) . . ?
C3 N3 C4 120.7(4) . . ?
C3 N3 C2 105.6(4) . . ?
C4 N3 C2 112.7(4) . . ?
N8 C17 N7 120.9(4) . . ?
N8 C17 N9 126.1(4) . . ?
N7 C17 N9 113.0(4) . . ?
C17 N9 C18 117.4(4) . . ?
C17 N9 C16 105.7(4) . . ?
C18 N9 C16 114.5(4) . . ?
C3 N1 C1 109.6(3) . . ?
C3 N1 Mo1 119.1(3) . . ?
C1 N1 Mo1 130.1(3) . . ?
N10 C22 C23 103.5(3) . . ?
N5 C14 C13 116.6(4) . . ?
C14 C13 C12 113.6(4) . . ?
N2 C7 C6 117.2(4) . . ?
N4 C8 C9 104.2(3) . . ?
N8 C21 C20 117.1(4) . . ?
N1 C1 C2 105.0(4) . . ?
C28 C27 C26 113.2(4) . . ?
N11 C28 C27 117.9(4) . . ?
C21 C20 C19 113.2(5) . . ?
N6 C9 C8 103.9(4) . . ?
C11 C12 C13 113.3(4) . . ?
N12 C23 C22 103.2(3) . . ?
N7 C15 C16 106.0(4) . . ?
C7 C6 C5 113.5(5) . . ?
N9 C18 C19 114.2(5) . . ?
C6 C5 C4 115.3(5) . . ?
N3 C4 C5 114.2(4) . . ?
C15 C16 N9 105.8(4) . . ?
N6 C11 C12 114.5(4) . . ?
C25 C26 C27 112.8(4) . . ?
N12 C25 C26 115.8(5) . . ?
C1 C2 N3 106.1(4) . . ?
C18 C19 C20 113.8(5) . . ?
Cl1S C1S Cl2S 112.3(4) . . ?
C10 N4 C8 109.2(3) . . ?
C10 N4 Mo1 119.7(3) . 2_776 ?
C8 N4 Mo1 130.3(3) . 2_776 ?
C3 N2 C7 119.4(4) . . ?
C3 N2 Mo1 115.2(3) . 2_776 ?
C7 N2 Mo1 125.1(3) . 2_776 ?
C24 N11 C28 120.7(3) . . ?
C24 N11 Mo2 114.6(2) . 2_775 ?
C28 N11 Mo2 124.4(3) . 2_775 ?
C17 N7 C15 109.4(4) . . ?
C17 N7 Mo2 118.3(3) . 2_775 ?
C15 N7 Mo2 130.3(3) . 2_775 ?
Cl3S C2S Cl4S 123.9(12) . . ?
Cl3A C2SA Cl4A 120.2(6) . . ?
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
Mo2 N7 2.109(3) 2_775 ?
Mo2 N10 2.118(3) . ?
Mo2 N8 2.141(3) . ?
Mo2 N11 2.155(3) 2_775 ?
Mo2 Mo2 2.1690(7) 2_775 ?
Mo2 Cl1 3.0178(11) . ?
Mo1 N1 2.118(3) . ?
Mo1 N4 2.119(3) 2_776 ?
Mo1 N2 2.149(3) 2_776 ?
Mo1 N5 2.153(3) . ?
Mo1 Mo1 2.1711(7) 2_776 ?
Mo1 Cl1 2.9987(11) . ?
N10 C24 1.341(5) . ?
N10 C22 1.459(5) . ?
N8 C17 1.324(5) . ?
N8 C21 1.470(5) . ?
N6 C10 1.406(5) . ?
N6 C9 1.477(6) . ?
N6 C11 1.487(5) . ?
N5 C10 1.326(5) . ?
N5 C14 1.469(5) . ?
N12 C24 1.402(5) . ?
N12 C25 1.477(6) . ?
N12 C23 1.479(5) . ?
C3 N2 1.331(5) . ?
C3 N1 1.333(5) . ?
C3 N3 1.403(5) . ?
C10 N4 1.326(5) . ?
C24 N11 1.327(5) . ?
N3 C4 1.452(6) . ?
N3 C2 1.500(6) . ?
C17 N7 1.337(5) . ?
C17 N9 1.412(6) . ?
N9 C18 1.458(6) . ?
N9 C16 1.491(6) . ?
N1 C1 1.471(5) . ?
C22 C23 1.524(6) . ?
C14 C13 1.521(5) . ?
C13 C12 1.523(6) . ?
C7 N2 1.460(5) . ?
C7 C6 1.491(7) . ?
C8 N4 1.460(5) . ?
C8 C9 1.515(6) . ?
C21 C20 1.491(7) . ?
C1 C2 1.491(7) . ?
C27 C28 1.517(7) . ?
C27 C26 1.516(6) . ?
C28 N11 1.456(5) . ?
C20 C19 1.515(8) . ?
C12 C11 1.501(7) . ?
C15 N7 1.453(5) . ?
C15 C16 1.486(7) . ?
C6 C5 1.505(7) . ?
C18 C19 1.506(7) . ?
C5 C4 1.530(7) . ?
C26 C25 1.489(7) . ?
Cl2S C1S 1.768(7) . ?
Cl1S C1S 1.709(7) . ?
N4 Mo1 2.119(3) 2_776 ?
N2 Mo1 2.149(3) 2_776 ?
N11 Mo2 2.155(3) 2_775 ?
N7 Mo2 2.109(3) 2_775 ?
C2S Cl3S 1.629(13) . ?
C2S Cl4S 1.684(12) . ?
C2SA Cl3A 1.564(8) . ?
C2SA Cl4A 1.766(8) . ?
