Crystal structure of poly[[hexaqua-1κ^4^<i>O</i>,2κ^2^<i>O</i>-bis(μ~3~-pyridine-2,4-dicarboxylato-1κ<i>O</i>^2^:2κ^2^<i>N</i>,<i>O</i>^2'^;1'κ<i>O</i>^4^)cobalt(II)strontium(II)] dihydrate]
Yu, Zhaojun; Jiang, Peng; Chen, Yanmei; Acta Crystallographica Section E 71 (2015) m167–m168; doi:10.1107/S2056989015014942

data_2241015
_publ_section_title
;
 Crystal structure of
 poly[[hexaqua-1\k^4^<i>O</i>,2\k^2^<i>O</i>-bis(\m~3~-pyridine-2,4-dicarboxylato-1\k<i>O</i>^2^:2\k^2^<i>N</i>,<i>O</i>^2'^;1'\k<i>O</i>^4^)cobalt(II)strontium(II)]
 dihydrate]
;
_journal_coeditor_code           IM2469
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m167
_journal_page_last               m168
_journal_paper_doi               10.1107/S2056989015014942
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Co Sr (C7 H3 N O4)2 (H2 O)6], 2H2 O'
_chemical_formula_moiety         'C14 H18 Co N2 O14 Sr, 2(H2 O)'
_chemical_formula_sum            'C14 H22 Co N2 O16 Sr'
_chemical_formula_weight         620.89
_chemical_name_systematic
'Poly[[hexaqua-1\k^4^<i>O</i>,2\k^2^<i>O</i>-bis(\m~3~-pyridine-2,4-dicarboxylato-1\k^4^<i>O</i>^2^:2\k^2^<i>N</i>,<i>O</i>^2'^;1'\k<i>O</i>^4^)cobalt(II)strontium(II)] dihydrate]'
_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                 118.77(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.628(4)
_cell_length_b                   6.8742(14)
_cell_length_c                   19.101(4)
_cell_measurement_reflns_used    1892
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.43
_cell_volume                     2144.0(10)
_computing_cell_refinement
;
SAINT (Bruker, 2005)
;
_computing_data_collection
;
APEX2 (Bruker, 2005)
;
_computing_data_reduction
;
SAINT (Bruker, 2005)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w 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  0.0227
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14907
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    3.348
_exptl_absorpt_correction_T_max  0.6336
_exptl_absorpt_correction_T_min  0.5541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2005)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.456
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     180
_refine_ls_number_reflns         1892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0197
_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^)+(0.0320P)^2^+2.0752P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0538
_refine_ls_wR_factor_ref         0.0551
_reflns_number_gt                1776
_reflns_number_total             1892
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2469sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        2144.0(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2241015
_cod_database_fobs_code          2241015