Cu<sup>I</sup>Cu<sup>II</sup> and Ag<sup>I</sup><i>p</i>-isocyanobenzoates as novel 1D semiconducting coordination oligomers.
Reguera, Leslie; Cano, Arely; Rodríguez-Hernández, Joelis; Rivera, Daniel G.; Van der Eycken, Erik V.; Ramírez-Rosales, Daniel; Reguera, Edilso; Dalton transactions (Cambridge, England : 2003) 49 (2020) 12432–12440; doi:10.1039/d0dt02461a

data_7705078
_publ_section_title
;
 Cu<sup>I</sup>Cu<sup>II</sup> and
 Ag<sup>I</sup><i>p</i>-isocyanobenzoates as novel 1D semiconducting
 coordination oligomers.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12432
_journal_page_last               12440
_journal_paper_doi               10.1039/d0dt02461a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_iupac          Ag[C8H4O2N]
_chemical_formula_moiety         'Ag4 C32 O7 N4'
_chemical_formula_structural     Ag[C8H4O2N]
_chemical_formula_sum            'C32 Ag4 N4 O7'
_chemical_formula_weight         983.84
_chemical_name_common            'silver(I) p-isocyanobenzoate'
_chemical_name_systematic        ' silver(I) p-isocyanobenzoate'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_update_record
;
2020-05-28 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 123.29(1)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.504(1)
_cell_length_b                   10.129(1)
_cell_length_c                   7.604(1)
_cell_measurement_temperature    298
_cell_volume                     740.65(16)
_computing_molecular_graphics    'DIAMOND (Branderbug, 2006)'
_computing_structure_refinement  'FULLPROF (Carvajal, 2013)'
_computing_structure_solution    'EXPO2013 (Altomare et al., 2013)'
_diffrn_ambient_temperature      298
_diffrn_detector                 'link eyes'
_diffrn_measurement_device_type  'D8 ADVANCE BRUKER'
_diffrn_measurement_method       'q/2q scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.541838
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_description       powder
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.020007
_pd_meas_2theta_range_max        70.00000
_pd_meas_2theta_range_min        10.12000
_pd_meas_number_of_points        2995
_pd_meas_scan_method             cont
_pd_prep_temperature             298
_pd_proc_2theta_range_inc        0.020007
_pd_proc_2theta_range_max        69.9934
_pd_proc_2theta_range_min        10.1134
_pd_proc_info_excluded_regions   'No regions were excluded'
_pd_proc_ls_background_function  'linear extrapolation'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        4.10
_pd_proc_ls_prof_wR_expected     4.06
_pd_proc_ls_prof_wR_factor       5.10
_pd_proc_wavelength              1.540562
_pd_spec_mounting
; 'the samples were ground in an agate mortar and the loose powder 
was pressed into a diffractometer sample holder'
;
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              25
_pd_spec_size_equat              25
_pd_spec_size_thick              1
_refine_ls_goodness_of_fit_all   2.10
_refine_ls_number_parameters     27
_refine_ls_number_reflns         355
_refine_ls_number_restraints     1
_refine_ls_R_I_factor            4.57
_cod_data_source_file            d0dt02461a2.cif
_cod_data_source_block           AgCNBzCO2
_cod_depositor_comments
;
The following automatic conversions were performed:

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 7705078.cif.
;
_cod_original_cell_volume        740.61(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Ag4 C32 O7 N4'
_cod_database_code               7705078
_pd_proc_ls_prof_cr_factor       8.24
_pd_proc_ls_prof_cwr_factor      8.71
_pd_proc_ls_prof_chi2            1.51
_pd_proc_ls_prof_echi2           1.61