A one-dimensional Cd^II^ coordination polymer: poly[[[bis[methanolcadmium(II)]-μ~2~-aqua]-bis(μ~3~-pyridine-2,6-dicarboxylato-κ^5^<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>')]
Wu, Hui-Fang; Chen, Xu-Dong; Du, Miao; Acta Crystallographica Section E 63 (2007) m126–m128; doi:10.1107/S1600536806052354

data_2211793
_publ_section_title
;A one-dimensional Cd^II^ coordination polymer:
 poly[[[bis[methanolcadmium(II)]-\m~2~-aqua]-bis(\m~3~-pyridine-2,6-dicarboxylato-\k^5^<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>')]
;
_journal_coeditor_code           DN2103
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m126
_journal_page_last               m128
_journal_paper_doi               10.1107/S1600536806052354
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd2 (C7 H3 N O4)2 (C H4 O)2 (H2 O)]'
_chemical_formula_moiety         'C16 H16 Cd2 N2 O11'
_chemical_formula_sum            'C16 H16 Cd2 N2 O11'
_chemical_formula_weight         637.11
_chemical_name_systematic
;
poly[[[bis[methanolcadmium(II)]-\m~2~-aqua]-bis(\m~3~-
pyridine-2,6-dicarboxylato-\k^5^O:O,N,O':O')]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8099(11)
_cell_length_b                   19.180(3)
_cell_length_c                   13.4279(18)
_cell_measurement_reflns_used    4282
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.61
_cell_volume                     2011.4(5)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX-II (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'SHELXTL (Bruker, 2001) and DIAMOND (Brandenburg, 2005)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD area-detector'
_diffrn_measurement_method       '\w and \f'
_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  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0170
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10139
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.12
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.178
_exptl_absorpt_correction_T_max  0.6458
_exptl_absorpt_correction_T_min  0.5780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.523
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1783
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0246
_refine_ls_R_factor_gt           0.0187
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0231P)^2^+1.659P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0460
_refine_ls_wR_factor_ref         0.0479
_reflns_number_gt                1507
_reflns_number_total             1783
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2103.cif
_cod_data_source_block           I
_cod_original_cell_volume        2011.5(5)
_cod_database_code               2211793
_cod_database_fobs_code          2211793