Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane
Jo, Seong Min; Noh, Tae Hwan; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622004818

data_2022613
_publ_section_title
;
 Solvent media as the driving force in the formation of one-dimensional
 silver(I) coordination polymers with
 2-methylidene-1,3-bis(nicotinoyloxy)propane
;
_journal_coeditor_code           JX3070
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622004818
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          '[Ag (C F3 O3 S) (C16 H14 N2 O4)]'
_chemical_formula_sum            'C17 H14 Ag F3 N2 O7 S'
_chemical_formula_weight         555.23
_chemical_name_systematic
'<i>catena</i>-Poly[[(trifluoromethanesulfonato-\k<i>O</i>)silver(I)]-\m-2-methylenepropane-1,3-diyl dinicotinate-\k^2^<i>N</i>:<i>N</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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 100.3100(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4347(3)
_cell_length_b                   15.5581(6)
_cell_length_c                   14.9879(6)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.90
_cell_volume                     1935.07(13)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2013), SADABS (Bruker, 2014)
and XPREP (Bruker, 2014)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.978
_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  0.0572
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_min         2.904
_exptl_absorpt_coefficient_mu    1.223
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2014)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.315
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.121
_refine_diff_density_max         0.730
_refine_diff_density_min         -0.665
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3932
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0300
_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^)+(0.0386P)^2^+1.9099P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                3651
_reflns_number_total             3932
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jx3070sup1.cif
_cod_data_source_block           2150013
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2022613
_shelx_estimated_absorpt_t_min   0.699
_shelx_estimated_absorpt_t_max   0.866
_shelx_hkl_checksum              4646
_shelx_res_checksum              85092
_cod_database_fobs_code 2022613