AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization.
Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia; Faraday discussions 241 (2023) 448–465; doi:10.1039/d2fd00093h

data_1567249
_publ_section_title
;
 AgX-based hybrid coordination polymers: mechanochemical synthesis,
 structure and luminescence property characterization.
;
_journal_issue                   0
_journal_name_full               'Faraday discussions'
_journal_page_first              448
_journal_page_last               465
_journal_paper_doi               10.1039/d2fd00093h
_journal_volume                  241
_journal_year                    2023
_chemical_formula_moiety         'C6 H8 Ag Br N2'
_chemical_formula_sum            'C6 H8 Ag Br N2'
_chemical_formula_weight         295.92
_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'
_cell_angle_alpha                90
_cell_angle_beta                 81.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.316
_cell_length_b                   7.365
_cell_length_c                   17.769
_cell_measurement_temperature    293
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_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
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_diffrn_radiation_type           'Cu K\a'
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_exptl_crystal_density_diffrn    2.407
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_pd_spec_mount_mode              transmission
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_refine_ls_R_I_factor            0.0143
_refine_ls_shift/su_max          0.003
_reflns_d_resolution_high        1.13527
_reflns_d_resolution_low         8.77697
_reflns_limit_h_max              5
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              -6
_reflns_limit_l_max              15
_reflns_limit_l_min              -14
_reflns_number_total             587
_cod_data_source_file            d2fd00093h3.cif
_cod_data_source_block           AgBr4pica_powder
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1567249--1567254.cif.
;
_cod_original_cell_volume        816
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1567249