Crystal structure of <i>catena</i>-poly[bis[μ~3~-2-(2-nitrophenyl)acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>']disilver(I)]
Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Ahmad, Nazir; Acta Crystallographica Section E 71 (2015) m118–m119; doi:10.1107/S2056989015007616

data_2240578
_publ_section_title
;
 Crystal structure of
 <i>catena</i>-poly[bis[\m~3~-2-(2-nitrophenyl)acetato-\k^3^<i>O</i>:<i>O</i>:<i>O</i>']disilver(I)]
;
_journal_coeditor_code           FK2086
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m118
_journal_page_last               m119
_journal_paper_doi               10.1107/S2056989015007616
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Ag2 (C8 H6 N1 O4)2]'
_chemical_formula_moiety         'C16 H12 Ag2 N2 O8'
_chemical_formula_sum            'C16 H12 Ag2 N2 O8'
_chemical_formula_weight         576.02
_chemical_name_systematic
<i>catena</i>-Poly[bis[\m~3~-2-(2-nitrophenyl)acetato-\k^3^<i>O</i>:<i>O</i>:<i>O</i>']disilver(I)]
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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
_cell_angle_beta                 96.853(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5249(3)
_cell_length_b                   15.8838(10)
_cell_length_c                   20.0257(11)
_cell_measurement_reflns_used    3113
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.000
_cell_measurement_theta_min      1.641
_cell_volume                     1744.83(17)
_computing_cell_refinement
;
SAINT (Bruker, 2007)
;
_computing_data_collection
;
APEX2 (Bruker, 2007)
;
_computing_data_reduction
;
SAINT (Bruker, 2007)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2014  (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.80
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       \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  0.0268
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14170
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.641
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.295
_exptl_absorpt_correction_T_max  0.682
_exptl_absorpt_correction_T_min  0.485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2005)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.473
_refine_diff_density_min         -0.546
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3781
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0165P)^2^+3.0884P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0663
_reflns_number_gt                3113
_reflns_number_total             3781
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fk2086sup1.cf
_cod_data_source_block           I
_cod_database_code               2240578
_shelxl_version_number           2014/6
_cod_database_fobs_code 2240578