Cd(2,2'-bipy)(H2PO4)2: the first cadmium phosphate with an organic amine acting as a ligandElectronic supplementary information (ESI) available: IR spectrum, X-ray powder diffraction patterns (experimental and simulated) and TGA curve for Cd(2,2'-bipy)(H2PO4)2, and table of hydrogen bond lengths and angles. See http://www.rsc.org/suppdata/jm/b2/b211928e/
Lin, Zhi-En; Sun, Yan-Qiong; Zhang, Jie; Wei, Qiao-Hua; Yang, Guo-Yu; Journal of Materials Chemistry 13 (2003) 447–; doi:10.1039/b211928e

data_7204578
_publ_section_title
;
 Cd(2,2'-bipy)(H2PO4)2: the first cadmium phosphate with an organic
 amine acting as a ligandElectronic supplementary information (ESI)
 available: IR spectrum, X-ray powder diffraction patterns
 (experimental and simulated) and TGA curve for Cd(2,2'-bipy)(H2PO4)2,
 and table of hydrogen bond lengths and angles. See
 http://www.rsc.org/suppdata/jm/b2/b211928e/
;
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              447
_journal_paper_doi               10.1039/b211928e
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'C10 H12 Cd N2 O8 P2'
_chemical_formula_weight         462.56
_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                 105.5530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.3225(11)
_cell_length_b                   17.9157(15)
_cell_length_c                   13.8165(13)
_cell_measurement_reflns_used    81
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.11
_cell_measurement_theta_min      2.06
_cell_volume                     2938.5(5)
_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  'Siemens SMART CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0471
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4841
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.748
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7036
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.091
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.793
_refine_diff_density_min         -1.604
_refine_diff_density_rms         0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2595
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0539
_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^)+(0.0373P)^2^+42.7978P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1206
_reflns_number_gt                2007
_reflns_number_total             2595
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211928e.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7204578