Rationalization of the structural, electronic and photophysical properties of silver(I) halide <i>n</i>-picolylamine hybrid coordination polymers.
Zuffa, Caterina; Veclani, Daniele; Marchini, Marianna; Monti, Filippo; Cappuccino, Chiara; Maini, Lucia; Ventura, Barbara; Dalton transactions (Cambridge, England : 2003) 54 (2025) 2799–2811; doi:10.1039/d4dt03003f

data_7718265
_publ_section_title
;
 Rationalization of the structural, electronic and photophysical
 properties of silver(I) halide <i>n</i>-picolylamine hybrid coordination
 polymers.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2799
_journal_page_last               2811
_journal_paper_doi               10.1039/d4dt03003f
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C6 H8 Ag Cl N2'
_chemical_formula_sum            'C6 H8 Ag Cl N2'
_chemical_formula_weight         251.46
_chemical_name_systematic        '[(AgCl)(4-pica)]n'
_chemical_properties_physical    Photo-sensitive
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2024-06-13 deposited with the CCDC.	2025-01-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 82.0479
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.185932
_cell_length_b                   7.247621
_cell_length_c                   17.400603
_cell_measurement_temperature    293
_cell_volume                     772.625
_computing_cell_refinement
;
 TOPAS-Academic v. 5.0
;
_computing_structure_refinement
;
 TOPAS-Academic v. 5.0
;
_computing_structure_solution
;
 TOPAS-Academic v. 5.0
;
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  Xpert-PRO
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.535
_exptl_crystal_colour            powder
_exptl_crystal_density_diffrn    2.162
_exptl_crystal_preparation       Luminescent
_pd_char_colour                  whitish
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_pd_proc_2theta_range_min        9.50307
_pd_proc_ls_background_function  Chebyschev
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_pd_proc_ls_prof_wR_factor       0.0437
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   1.77098
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     0.000000
_refine_ls_R_I_factor            0.0114
_refine_ls_shift/su_max          0
_reflns_d_resolution_high        8.61664
_reflns_d_resolution_low         1.33523
_reflns_limit_h_max              4
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_reflns_limit_k_min              -5
_reflns_limit_l_max              12
_reflns_limit_l_min              -12
_reflns_number_total             338
_cod_data_source_file            d4dt03003f2.cif
_cod_data_source_block           agcl_4pica_powder
_cod_original_cell_volume        772.624655
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7718265