<i>catena</i>-Poly[diammonium [diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)cuprate(II)] [[diaquacopper(II)]-μ-pyridine-2,4-dicarboxylato-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^-[tetraaquacadmium(II)]-μ-pyridine-2,4-dicarboxylato-κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2'^] hexahydrate]
Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Acta Crystallographica Section E 65 (2009) m1568–m1569; doi:10.1107/S1600536809046911

data_2224109
_publ_section_title
;<i>catena</i>-Poly[diammonium
 [diaquabis(pyridine-2,4-dicarboxylato-\k^2^<i>N</i>,<i>O</i>^2^)cuprate(II)]
 [[diaquacopper(II)]-\m-pyridine-2,4-dicarboxylato-\k^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^-[tetraaquacadmium(II)]-\m-pyridine-2,4-dicarboxylato-\k^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2'^]
 hexahydrate]
;
_journal_coeditor_code           BG2303
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1568
_journal_page_last               m1569
_journal_paper_doi               10.1107/S1600536809046911
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
;
(N H4)2 [Cu (C7 H3 N O4)2 (H2 O)2] [Cd Cu (C7 H3 N O4)2 (H2 O)6], 6H2 O
;
_chemical_formula_moiety
'2(H4 N +), C14 H10 Cu N2 O10 2-, C14 H18 Cd Cu N2 O14, 6(H2 O)'
_chemical_formula_sum            'C28 H48 Cd Cu2 N6 O30'
_chemical_formula_weight         1188.20
_chemical_name_systematic
;
<i>catena</i>-Poly[diammonium
[diaquabis(pyridine-2,4-dicarboxylato-\k^2^<i>N</i>,<i>O</i>^2^)cuprate(II)]
[[diaquacopper(II)]-\m-pyridine-2,4-dicarboxylato-
\k^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^-[tetraaquacadmium(II)]-
\m-pyridine-2,4-dicarboxylato-\k^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2'^]
hexahydrate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.869(2)
_cell_angle_beta                 103.536(2)
_cell_angle_gamma                94.834(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4520(19)
_cell_length_b                   10.5252(19)
_cell_length_c                   10.6733(19)
_cell_measurement_reflns_used    4140
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.06
_cell_measurement_theta_min      2.47
_cell_volume                     1101.3(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_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 0.981
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0109
_diffrn_reflns_av_sigmaI/netI    0.0189
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6205
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.542
_exptl_absorpt_correction_T_max  0.785
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.792
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.406
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4212
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0412P)^2^+0.7186P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0727
_reflns_number_gt                3869
_reflns_number_total             4212
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2303.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2224109
_cod_database_fobs_code          2224109