Complexes of BiCl3 with hydrazone derived ligands: a Möbius-like discrete metal chelate versus a salt-like porous polymeric structure
Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Miroslaw, Barbara; Qu, Fengrui; Gupta, Arunava; Frontera, Antonio; Zubkov, Fedor I.; Zangrando, Ennio; Safin, Damir A.; New Journal of Chemistry 44 (2020) 9429–9437; doi:10.1039/D0NJ00930J

data_7059583
_publ_section_title
;
 Complexes of BiCl3 with hydrazone derived ligands: a M\"obius-like
 discrete metal chelate versus a salt-like porous polymeric structure
;
_journal_issue                   22
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9429
_journal_page_last               9437
_journal_paper_doi               10.1039/D0NJ00930J
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C38 H28 Bi Cl3 N6'
_chemical_formula_sum            'C38 H28 Bi Cl3 N6'
_chemical_formula_weight         883.99
_chemical_name_common            22-FG
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-04-05 deposited with the CCDC.	2020-05-06 downloaded from the CCDC.
;
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_cell_measurement_reflns_used    9985
_cell_measurement_temperature    223(2)
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_computing_cell_refinement       'APEX2 V2013.10.0 (Bruker, 2013)'
_computing_data_collection       'APEX2 V2013.10.0 (Bruker, 2013)'
_computing_data_reduction        'APEX2 V2013.10.0 (Bruker, 2013)'
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_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
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_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker AXS SMART APEX2 CCD diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_k_max       27
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_diffrn_reflns_limit_l_max       29
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_diffrn_reflns_number            137542
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_source                   'fine focus sealed X-ray tube'
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_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.5191
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            'pale yellow'
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_exptl_crystal_description       needle
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_refine_ls_number_reflns         10106
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_refine_ls_restrained_S_all      1.033
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0192P)^2^+3.0592P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0519
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                7829
_reflns_number_total             10106
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj00930j1.cif
_cod_data_source_block           FA25_0m_a
_cod_depositor_comments
;Adding full bibliography for 7059583--7059584.cif.

 Adding full bibliography for 7059583--7059584.cif.
;
_cod_original_cell_volume        3697.9(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7059583
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.540
_shelx_estimated_absorpt_t_max   0.906
_shelx_res_checksum              68715