Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>.
Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia; Physical chemistry chemical physics : PCCP 26 (2024) 5010–5019; doi:10.1039/d3cp04791a

data_7247949
_publ_section_title
;
 Liquid reagents are not enough for liquid assisted grinding in the
 synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>.
;
_journal_issue                   6
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              5010
_journal_page_last               5019
_journal_paper_doi               10.1039/d3cp04791a
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C6 H8 Ag2 Br2 N2'
_chemical_formula_sum            'C6 H8 Ag2 Br2 N2'
_chemical_formula_weight         483.68
_chemical_melting_point          426
_chemical_name_systematic        '[(AgBr)2(4-pica)]n'
_chemical_properties_physical    Light-sensitive
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_audit_update_record
;
2023-10-02 deposited with the CCDC.	2024-01-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.282(1)
_cell_length_b                   22.011(1)
_cell_length_c                   6.624(1)
_cell_measurement_temperature    293
_cell_volume                     2082.3(4)
_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    3.088
_pd_char_colour                  whitish
_pd_meas_number_of_points        5306
_pd_proc_2theta_range_inc        0.013
_pd_proc_2theta_range_max        74.96807
_pd_proc_2theta_range_min        6.00307
_pd_proc_ls_background_function  Chebyschev
_pd_proc_ls_prof_R_factor        0.0448
_pd_proc_ls_prof_wR_expected     0.0562
_pd_proc_ls_prof_wR_factor       0.0607
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   1.08003
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     0.000000
_refine_ls_R_I_factor            0.0337
_refine_ls_shift/su_max          0.00175644498
_reflns_d_resolution_high        11.00025
_reflns_d_resolution_low         1.25971
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              5
_reflns_limit_l_min              0
_reflns_number_total             548
_cod_data_source_file            d3cp04791a2.cif
_cod_data_source_block           AgBr2_4pica_final
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' 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 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7247949--7247950.cif.
;
_cod_original_cell_volume        2082.39918
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7247949