(C~2~H~10~N~2~)[Co(H~2~O)~6~](HPO~4~)~2~: a supramolecular three-dimensional hydrogen-bonding network
Yongkui Shan; Songping D. Huang; Acta Crystallographica Section C 55 (1999) 921–923; doi:10.1107/S0108270199001584

data_2008562
_publ_section_title
;
 (C~2~H~10~N~2~)[Co(H~2~O)~6~](HPO~4~)~2~: a supramolecular
 three-dimensional hydrogen-bonding network
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              921
_journal_page_last               923
_journal_paper_doi               10.1107/S0108270199001584
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '(C2 H10 N2) [Co (H2 O)6] (H P O4)2'
_chemical_formula_sum            'C2 H24 Co N2 O14 P2'
_chemical_formula_weight         421.10
_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'
_cell_angle_alpha                90
_cell_angle_beta                 91.2550(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2578(5)
_cell_length_b                   16.3520(10)
_cell_length_c                   14.8190(10)
_cell_measurement_reflns_used    4453
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      1.25
_cell_volume                     1516.03(18)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_publication_material  TEXSAN
_computing_structure_refinement
'TEXSAN (Molecular Structure Corporation, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      296.0(10)
_diffrn_measurement_device_type  'Quantum CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7917
_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    1.415
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   'empirical via simulated \y scans'
_exptl_absorpt_process_details   '(Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.39
_refine_ls_extinction_coef       6E-7(1)
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   1.024
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     194
_refine_ls_number_reflns         2014
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.061
_refine_ls_R_factor_gt           0.034
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00073|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.051
_refine_ls_wR_factor_ref         0.044
_reflns_number_gt                2014
_reflns_number_total             3127
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fr1152.cif
_cod_data_source_block           fr1152
_cod_original_cell_volume        1516.1(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2008562