Syntheses and Characterizations of Three Low-Dimensional Chloride-Rich Zincophosphates Assembled about [d-Co(en)3]3+ and [dl-Co(en)3]3+ Complex Cations
Peng Chen; Jiyang Li; Fangzheng Duan; Jihong Yu; Ruren Xu; Raj Pal Sharma; Inorganic Chemistry 46 (2007) 6683–6687; doi:10.1021/ic062103+

data_4327232
_publ_section_title
;
 Syntheses and Characterizations of Three Low-Dimensional Chloride-Rich
 Zincophosphates Assembled about [d-Co(en)3]3+ and [dl-Co(en)3]3+ Complex
 Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6683
_journal_page_last               6687
_journal_paper_doi               10.1021/ic062103+
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C12 H54 Cl8 Co2 N12 O16 P4 Zn4'
_chemical_formula_weight         1409.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 100.10(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.989(6)
_cell_length_b                   8.9600(18)
_cell_length_c                   16.326(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4462.9(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.918
_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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0955
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13248
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         28.09
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    3.536
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   no
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.098
_exptl_crystal_description       block
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5003
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1045
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0621P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1450
_refine_ls_wR_factor_ref         0.1560
_reflns_number_gt                2321
_reflns_number_total             5003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0621032B2B-file001.cif
_cod_data_source_block           C12H54Cl8Co2N12O16P4Zn4
_cod_original_cell_volume        4462.9(16)
_cod_database_code               4327232