Dicaesium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)
van der Merwe, Kina; Visser, Hendrik G.; Venter, Johan A.; Acta Crystallographica Section E 67 (2011) m1354–; doi:10.1107/S1600536811035355

data_2231952
_publ_section_title
;
 Dicaesium
 diaquabis(methylenediphosphonato-\k^2^<i>O</i>,<i>O</i>')cobaltate(II)
;
_journal_coeditor_code           JH2322
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1354
_journal_paper_doi               10.1107/S1600536811035355
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'Cs2 [Co (C H4 O6 P2)2 (H2 O)2]'
_chemical_formula_moiety         'C2 H12 Co Cs2 O14 P4'
_chemical_formula_sum            'C2 H12 Co Cs2 O14 P4'
_chemical_formula_weight         708.75
_chemical_name_systematic
;
Dicaesium diaquabis(methylenediphosphonato-\k^2^<i>O</i>,<i>O</i>')cobaltate(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                74.621(5)
_cell_angle_beta                 83.064(5)
_cell_angle_gamma                86.496(5)
_cell_formula_units_Z            1
_cell_length_a                   7.333(5)
_cell_length_b                   7.412(5)
_cell_length_c                   7.666(5)
_cell_measurement_reflns_used    3160
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.77
_cell_volume                     398.6(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(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       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0147
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4203
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         3.72
_exptl_absorpt_coefficient_mu    5.963
_exptl_absorpt_correction_T_max  0.7547
_exptl_absorpt_correction_T_min  0.2103
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.953
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             253
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.753
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         1904
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      0.781
_refine_ls_R_factor_gt           0.015
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0412P)^2^+0.4899P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0437
_reflns_number_gt                1827
_reflns_number_total             1904
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2322.cif
_cod_data_source_block           I
_cod_database_code               2231952
_cod_database_fobs_code          2231952