(μ-Benzoato-κ^2^<i>O</i>:<i>O</i>')tris[μ-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) dichloromethane monosolvate
Han, L.-J.; Acta Crystallographica Section E 67 (2011) m256–; doi:10.1107/S1600536811002558

data_2229174
_publ_section_title
;
 (\m-Benzoato-\k^2^<i>O</i>:<i>O</i>')tris[\m-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)formamidinato-\k^2^<i>N</i>:<i>N</i>']dimolybdenum(II)
 dichloromethane monosolvate
;
_journal_coeditor_code           OM2393
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m256
_journal_paper_doi               10.1107/S1600536811002558
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Mo2 (C15 H15 N2 O2)3 (C7 H5 O2)], C H2 Cl2'
_chemical_formula_moiety         'Mo2(C15H15N2O2)3(O O CC6H5)(CH2Cl2)'
_chemical_formula_sum            'C53 H52 Cl2 Mo2 N6 O8'
_chemical_formula_weight         1163.79
_chemical_name_common            Mo2(DAniF)3(OOCC6H5)(CH2Cl2)
_chemical_name_systematic
;
(\m-Benzoato-\k^2^<i>O</i>:<i>O</i>')tris[\m-<i>N</i>,<i>N</i>'-bis(4-
methoxyphenyl)formamidinato-\k^2^<i>N</i>:<i>N</i>']dimolybdenum(II)
dichloromethane monosolvate
;
_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                74.595(4)
_cell_angle_beta                 85.646(4)
_cell_angle_gamma                67.238(4)
_cell_formula_units_Z            2
_cell_length_a                   12.025(4)
_cell_length_b                   13.705(4)
_cell_length_c                   17.727(6)
_cell_measurement_reflns_used    6372
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.38
_cell_volume                     2596.0(14)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10844
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.645
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.588
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         8981
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0355
_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/[\s^2^(Fo^2^)+(0.0480P)^2^+2.2558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.1066
_reflns_number_gt                6852
_reflns_number_total             8981
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om2393.cif
_cod_data_source_block           I
_cod_database_code               2229174
_cod_database_fobs_code          2229174