Crystal structure of <i>catena</i>-poly[[silver(I)-{μ-2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2'^}] nitrate]
Kim, Daeyoung; Kang, Sung Kwon; Acta Crystallographica Section E 71 (2015) m79–m80; doi:10.1107/S2056989015004120

data_2240495
_publ_section_title
;
 Crystal structure of
 <i>catena</i>-poly[[silver(I)-{\m-2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine-\k^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2'^}]
 nitrate]
;
_journal_coeditor_code           ZQ2231
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m79
_journal_page_last               m80
_journal_paper_doi               10.1107/S2056989015004120
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Ag (C13 H13 N5)] N O3'
_chemical_formula_moiety         'C13 H13 Ag N5 +, N O3 -'
_chemical_formula_sum            'C13 H13 Ag N6 O3'
_chemical_formula_weight         409.16
_chemical_name_systematic
'<i>catena</i>-Poly[[silver(I)-{\m-2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine-\k^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2'^}] nitrate]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 98.9100(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9604(6)
_cell_length_b                   14.3192(9)
_cell_length_c                   10.6878(7)
_cell_measurement_reflns_used    6606
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.4
_cell_volume                     1505.95(16)
_computing_cell_refinement
;
SAINT (Bruker, 2002)
;
_computing_data_collection
;
SMART (Bruker, 2002)
;
_computing_data_reduction
;
SAINT (Bruker, 2002)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2013 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0172
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12683
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.294
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.363
_exptl_absorpt_correction_T_max  0.726
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2002)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.394
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3618
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+0.6850P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0625
_reflns_number_gt                3087
_reflns_number_total             3618
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zq2231sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2240495
_cod_database_fobs_code          2240495