Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O
Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren; Chemistry of Materials 13 (2001) 2972–2978; doi:10.1021/cm010302f

data_4000059
_publ_section_title
;
 Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates
 Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and
 [CoIII(en)3][Zn8P6O24Cl].2H2O
;
_journal_coden_ASTM              CMATEX
_journal_issue                   9
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2972
_journal_page_last               2978
_journal_paper_doi               10.1021/cm010302f
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'C6 H28 Cl Co N6 O26 P6 Zn8'
_chemical_formula_weight         1403.50
_space_group_IT_number           163
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   8.8775(7)
_cell_length_b                   8.8775(7)
_cell_length_c                   23.775(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1622.7(2)
_diffrn_ambient_temperature      293(2)
_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  0.1194
_diffrn_reflns_av_sigmaI/netI    0.0508
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            6159
_diffrn_reflns_theta_max         23.34
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    6.788
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.872
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.100
_refine_ls_extinction_coef       0.0023(4)
_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   1.162
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         793
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0410
_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^)+(0.0549P)^2^+5.4813P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1089
_reflns_number_gt                751
_reflns_number_total             793
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      P-31c
_cod_database_code               4000059