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_4313911
_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]2Zn(OCH3)4,3.83(CH2Cl2)'
_chemical_formula_sum            'C97.83 H109.66 Cl7.66 Mo4 N12 O16 Zn'
_chemical_formula_weight         2430.10
_chemical_name_common            '[Mo2(DAniF)3]2Zn(OCH3)4,3.83(CH2Cl2)'
_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                90.3320(10)
_cell_angle_beta                 102.8970(10)
_cell_angle_gamma                104.1180(10)
_cell_formula_units_Z            2
_cell_length_a                   13.8172(9)
_cell_length_b                   15.2262(10)
_cell_length_c                   27.3189(18)
_cell_measurement_reflns_used    13666
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4965
_cell_measurement_theta_min      2.299
_cell_volume                     5422.2(6)
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0483
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            22749
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.81
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_T_max  0.7868
_exptl_absorpt_correction_T_min  0.6823
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2474
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.260
_refine_diff_density_max         0.869
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1291
_refine_ls_number_reflns         14053
_refine_ls_number_restraints     469
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0473
_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^)+(0.0623P)^2^+10.4622P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1353
_reflns_number_gt                10671
_reflns_number_total             14053
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034167fsi20030214_020632_2.cif
_cod_data_source_block           cmpd1
_cod_database_code               4313911