A tetrahedrally coordinated Ag^I^ and Ni^II^ complex with a two-dimensional framework containing one-dimensional helical chains
Gui-Liang, Wang; Acta Crystallographica Section C 63 (2007) m479–m480; doi:10.1107/S0108270107044794

data_2016240
_publ_section_title
;
 A tetrahedrally coordinated Ag^I^ and Ni^II^ complex with a
 two-dimensional framework containing one-dimensional helical chains
;
_journal_coeditor_code           DN3061
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m479
_journal_page_last               m480
_journal_paper_doi               10.1107/S0108270107044794
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 Ni (C7 H3 N O5)2]'
_chemical_formula_moiety         'C14 H6 Ag2 N2 Ni O10'
_chemical_formula_sum            'C14 H6 Ag2 N2 Ni O10'
_chemical_formula_weight         636.66
_chemical_name_systematic
;
poly[bis(\m~5~-pyridine-2,6-dicarboxylato N-oxide)nickel(II)disilver(I)]
;
_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           SHELXL97
_cell_angle_alpha                93.829(2)
_cell_angle_beta                 94.930(2)
_cell_angle_gamma                103.0610(10)
_cell_formula_units_Z            1
_cell_length_a                   4.9739(9)
_cell_length_b                   8.8459(15)
_cell_length_c                   9.1479(16)
_cell_measurement_reflns_used    1422
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      3.12
_cell_volume                     389.09(12)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_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  0.0123
_diffrn_reflns_av_sigmaI/netI    0.0170
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2890
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         3.12
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.757
_exptl_absorpt_correction_T_max  0.5512
_exptl_absorpt_correction_T_min  0.4535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             306
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.042
_refine_diff_density_min         -2.511
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         1422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0451
_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^)+5.6116P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.0968
_reflns_number_gt                1346
_reflns_number_total             1422
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn3061.cif
_cod_data_source_block           I
_cod_database_code               2016240
_cod_database_fobs_code          2016240