Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: <i>catena</i>-poly[[silver(I)-bis{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphenyl]-2'-yl)-1<i>H</i>-imidazol-2-yl]pyridine-κ^2^<i>N</i>:<i>N</i>'}] nitrate methanol monosolvate monohydrate]
Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin; Acta Crystallographica Section E 72 (2016) 972–975; doi:10.1107/S205698901600949X

data_2241724
_publ_section_title
;
 Crystal structure of a one-dimensional looped-chain silver(I)
 coordination polymer:
 <i>catena</i>-poly[[silver(I)-bis{\m-4-[1-(5'-isopropyl-[1,1':3',1''-terphenyl]-2'-yl)-1<i>H</i>-imidazol-2-yl]pyridine-\k^2^<i>N</i>:<i>N</i>'}]
 nitrate methanol monosolvate monohydrate]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              972
_journal_page_last               975
_journal_paper_doi               10.1107/S205698901600949X
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Ag (C29 H25 N3)2] N O3, C H4 O, H2 O'
_chemical_formula_moiety         'C58 H50 Ag N6 +, N O3 -, C H4 O, H2 O'
_chemical_formula_sum            'C59 H56 Ag N7 O5'
_chemical_formula_weight         1050.97
_chemical_name_systematic
;<i>catena</i>-Poly[[silver(I)-bis{\m-4-[1-(5'-isopropyl-[1,1':3',1''-terphenyl]-2'-yl)-1<i>H</i>-imidazol-2-yl]pyridine-\k^2^<i>N</i>:<i>N</i>'}]
nitrate methanol monosolvate monohydrate]
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                75.919(13)
_cell_angle_beta                 71.129(12)
_cell_angle_gamma                69.383(12)
_cell_formula_units_Z            2
_cell_length_a                   13.301(3)
_cell_length_b                   13.797(3)
_cell_length_c                   16.527(3)
_cell_measurement_reflns_used    5559
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.44
_cell_measurement_theta_min      2.40
_cell_volume                     2657.3(10)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2010)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1167
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38791
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.316
_exptl_absorpt_coefficient_mu    0.435
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker 2013)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_description       block
_exptl_crystal_F_000             1092
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.386
_refine_diff_density_min         -0.880
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         9965
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0831
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0873P)^2^+5.0611P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1870
_refine_ls_wR_factor_ref         0.2084
_reflns_number_gt                6302
_reflns_number_total             9965
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sj5501sup1.cif
_cod_data_source_block           I
_cod_database_code               2241724
_shelx_estimated_absorpt_t_min   0.946
_shelx_estimated_absorpt_t_max   0.958
_shelx_hkl_checksum              26617
_shelx_res_checksum              48221
_cod_database_fobs_code 2241724