Silver(i) pyridylphosphonates ‒ synthesis, structure, stability and light-insensitivity investigation
Rendošová, Michaela; Gyepes, Róbert; Almáši, Miroslav; Bártová, Ingrida; Vargová, Zuzana; RSC Advances 9 (2019) 1570–; doi:10.1039/C8RA10136A

data_7232167
_publ_section_title
;
 Silver(i) pyridylphosphonates -- synthesis, structure, stability and
 light-insensitivity investigation
;
_journal_issue                   3
_journal_name_full               'RSC Advances'
_journal_page_first              1570
_journal_paper_doi               10.1039/C8RA10136A
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C10 H11 Ag N2 O6 P2'
_chemical_formula_sum            'C10 H11 Ag N2 O6 P2'
_chemical_formula_weight         425.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-12-06 deposited with the CCDC.
2018-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.007(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3129(8)
_cell_length_b                   6.2896(6)
_cell_length_c                   12.7052(12)
_cell_measurement_reflns_used    4354
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5253
_cell_measurement_theta_min      2.8609
_cell_volume                     663.37(11)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD with Bruker APEXII detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7704
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         2.861
_exptl_absorpt_coefficient_mu    1.790
_exptl_absorpt_correction_T_max  0.71
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_description       prism
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.386
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.112
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1521
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0197
_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^)+(0.0259P)^2^+0.4690P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0511
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1415
_reflns_number_total             1521
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ra10136a2.cif
_cod_data_source_block           agpypo_meta
_cod_database_code               7232167
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.545
_shelx_estimated_absorpt_t_max   0.825
_shelx_res_checksum              18824
_shelx_hkl_checksum              85779