Disodium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate
van der Merwe, Kina; Visser, Hendrik G.; Venter, Johan A.; Acta Crystallographica Section E 67 (2011) m1468–m1469; doi:10.1107/S1600536811038530

data_2232087
_publ_section_title
;
 Disodium
 diaquabis(methylenediphosphonato-\k^2^<i>O</i>,<i>O</i>')cobaltate(II)
 dihydrate
;
_journal_coeditor_code           WM2520
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1468
_journal_page_last               m1469
_journal_paper_doi               10.1107/S1600536811038530
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'Na2 [Co (C H4 O6 P2)2 (H2 O)2], 2H2 O'
_chemical_formula_moiety         '2Na+, C2 H12 Co O14 P4 2-, 2(H2 0)'
_chemical_formula_sum            'C2 H16 Co Na2 O16 P4'
_chemical_formula_weight         524.94
_chemical_name_systematic
;
Disodium
diaquabis(methylenediphosphonato-\k^2^<i>O</i>,<i>O</i>')cobaltate(II)
dihydrate
;
_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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 91.3750(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.8694(2)
_cell_length_b                   13.2860(4)
_cell_length_c                   8.3541(3)
_cell_measurement_reflns_used    6202
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.43
_cell_measurement_theta_min      2.88
_cell_volume                     762.23(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8742
_diffrn_reflns_theta_full        28.43
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    1.688
_exptl_absorpt_correction_T_max  0.8629
_exptl_absorpt_correction_T_min  0.4739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>, Bruker, 2007)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.569
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1901
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_gt           0.0192
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+0.4299P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                1838
_reflns_number_total             1901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm2520.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2232087
_cod_database_fobs_code          2232087