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_4327234
_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            'C6 H28 Cl2 Co N6 O12 P3 Zn2'
_chemical_formula_weight         729.82
_chemical_name_systematic
; 
 ? 
;
_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'
_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                 112.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.778(3)
_cell_length_b                   12.136(2)
_cell_length_c                   15.527(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2230.6(9)
_computing_cell_refinement       'Rigaku R-AXIS RAPID'
_computing_data_collection       'Rigaku R-AXIS RAPID'
_computing_data_reduction        'Rigaku R-AXIS RAPID'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'omega scan'
_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  0.0918
_diffrn_reflns_av_sigmaI/netI    0.0724
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21378
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    3.391
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.173
_exptl_crystal_description       stick
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.979
_refine_diff_density_min         -1.229
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       0.0009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5080
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0945
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0525P)^2^+3.9311P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1367
_reflns_number_gt                3392
_reflns_number_total             5080
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0621032B2B-file003.cif
_cod_data_source_block           C6H28Cl2CoN6O12P3Zn2
_cod_original_cell_volume        2230.6(8)
_cod_database_code               4327234