Trapping Tetramethoxyzincate and -cobaltate(II) between Mo~2~^4+^ Units
F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Xiaoping Wang; Inorganic Chemistry 42 (2003) 4619–4623; doi:10.1021/ic034167f

data_4313912
_publ_contact_author_address
;  Laboratory for Molecular Structure and Bonding
   Dept. of Chemistry
   Texas A&M University, P.O. Box  30012
   College Station, TX 77842-3012, USA
;
_publ_contact_author_email       cotton@tamu.edu
_publ_contact_author_fax         '(979) 845 9351'
_publ_contact_author_name        'F. A. Cotton'
_publ_contact_author_phone       '(979) 845 4432'
_publ_section_title
;
 Trapping Tetramethoxyzincate and -cobaltate(II) between Mo~2~^4+^ Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4619
_journal_page_last               4623
_journal_paper_doi               10.1021/ic034167f
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         '[Mo2(C15H15N2O2)3]2Co(OCH3)4,3.76(CH2Cl2)'
_chemical_formula_sum            'C97.76 H109.52 Cl7.52 Co Mo4 N12 O16'
_chemical_formula_weight         2417.89
_chemical_name_common            '[Mo2(DAniF)3]2Co(OCH3)4,3.76(CH2Cl2)'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 110.7110(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.9288(13)
_cell_length_b                   18.1747(9)
_cell_length_c                   26.3668(14)
_cell_measurement_reflns_used    30802
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.934
_cell_measurement_theta_min      2.419
_cell_volume                     10725.9(10)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    XP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'BRUKER SMART 1000'
_diffrn_measurement_method       \w-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  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            44626
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.65
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    0.860
_exptl_absorpt_correction_T_max  0.8463
_exptl_absorpt_correction_T_min  0.6781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4924
_exptl_crystal_size_max          0.285
_exptl_crystal_size_mid          0.281
_exptl_crystal_size_min          0.194
_refine_diff_density_max         0.915
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1394
_refine_ls_number_reflns         14030
_refine_ls_number_restraints     275
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0599P)^2^+27.9781P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1401
_reflns_number_gt                10215
_reflns_number_total             14030
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic034167fsi20030214_020632_3.cif
_cod_data_source_block           cmpd2
_cod_original_cell_volume        10725.8(10)
_cod_database_code               4313912