Di-μ-methoxo-bis[aquadimethoxonitrosylmolybdenum(II)]
Bucher, Jolanta; Blacque, Olivier; Berke, Heinz; Acta Crystallographica Section E 63 (2007) m2935–m2936; doi:10.1107/S1600536807055894

data_2216411
_publ_section_title
;
 Di-\m-methoxo-bis[aquadimethoxonitrosylmolybdenum(II)]
;
_journal_coeditor_code           DN2260
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2935
_journal_page_last               m2936
_journal_paper_doi               10.1107/S1600536807055894
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mo2 (C H3 O)6 (N O)2 (H2 O)2]'
_chemical_formula_moiety         'C6 H22 Mo2 N2 O10'
_chemical_formula_sum            'C6 H22 Mo2 N2 O10'
_chemical_formula_weight         474.14
_chemical_name_systematic
;
Di-\m-methoxo-bis[aquadimethoxonitrosylmolybdenum(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 106.750(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7567(13)
_cell_length_b                   15.6682(17)
_cell_length_c                   12.5488(18)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      30.25
_cell_measurement_theta_min      2.8
_cell_volume                     1648.7(4)
_computing_cell_refinement       'IPDS Software (Stoe & Cie, 1998)'
_computing_data_collection       'IPDS Software (Stoe & Cie, 1998)'
_computing_data_reduction        'XRED (Stoe & Cie, 1998)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
WinGX (Farrugia, 1999), SHELXL97 (Sheldrick, 1997)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       '\f rotation scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0851
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            19216
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         3.56
_diffrn_standards_decay_%        0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.564
_exptl_absorpt_correction_T_max  0.614
_exptl_absorpt_correction_T_min  0.522
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Coppens <i>et al.</i>,  1965)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.91
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.43
_refine_diff_density_max         0.745
_refine_diff_density_min         -1.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         3874
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0942P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1278
_reflns_number_gt                3240
_reflns_number_total             3874
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2260.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2216411
_cod_database_fobs_code          2216411