Constructing mixed-metal coordination polymers from copper(II)‒pyridinedicarboxylate metalloligands
Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Acta Crystallographica Section C 65 (2009) m333–m336; doi:10.1107/S010827010902890X

data_2017292
_publ_section_title
;
 Constructing mixed-metal coordination polymers from
 copper(II)--pyridinedicarboxylate metalloligands
;
_journal_coeditor_code           FN3027
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m333
_journal_page_last               m336
_journal_paper_doi               10.1107/S010827010902890X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Ag (H2 O)2] [Ag Cu (C7 H3 N O4)2 (H2 O)], 3H2 O'
_chemical_formula_moiety         'Ag1 H4 O2 +, C14 H8 Ag1 Cu N2 O9 -, 3(H2 O)'
_chemical_formula_sum            'C14 H18 Ag2 Cu N2 O14'
_chemical_formula_weight         717.58
_chemical_name_systematic
;
<i>catena</i>-poly[[diaquasilver(I)]
[bis[aquacopper(II)]-\m-pyridine-2,5-dicarboxylato-
2:1\k^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^,<i>O</i>^5'^-
\m~3~-pyridine-2,5-dicarboxylato-
2':1:1'\k^5^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^-
disilver(I)-\m~3~-pyridine-2,5-dicarboxylato-
1:1':2''\k^5^<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-
\m-pyridine-2,5-dicarboxylato-
1':2'''\k^4^<i>O</i>^5^,<i>O</i>^5'^:<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                74.685(2)
_cell_angle_beta                 85.084(2)
_cell_angle_gamma                88.818(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4307(8)
_cell_length_b                   10.8485(11)
_cell_length_c                   13.5487(14)
_cell_measurement_reflns_used    1959
_cell_measurement_temperature    187(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.75
_cell_volume                     1049.52(19)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_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      187(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5691
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    2.928
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             702
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.601
_refine_diff_density_min         -0.793
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         3822
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0386
_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^)+(0.0549P)^2^+0.7715P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0914
_refine_ls_wR_factor_ref         0.0970
_reflns_number_gt                3113
_reflns_number_total             3822
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            fn3027.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               2017292
_cod_database_fobs_code          2017292