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_7059584
_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
'2(C13 H12 N3 O2), Bi Cl5, 0.5(C2 H6 O), 0.5(C2 H6 O)'
_chemical_formula_sum            'C28 H30 Bi Cl5 N6 O5'
_chemical_formula_weight         916.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-05-04 deposited with the CCDC.	2020-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                74.681(2)
_cell_angle_beta                 79.486(3)
_cell_angle_gamma                86.386(3)
_cell_formula_units_Z            2
_cell_length_a                   7.5632(4)
_cell_length_b                   11.7963(5)
_cell_length_c                   19.9471(9)
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      24.85
_cell_measurement_theta_min      2.15
_cell_volume                     1687.38(14)
_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)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker AXS SMART APEX2 CCD diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6892
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.790
_diffrn_source                   'fine focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.667
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_description       dentrite
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.119
_refine_diff_density_min         -1.353
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6892
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0338P)^2^+2.1710P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0653
_refine_ls_wR_factor_ref         0.0697
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6033
_reflns_number_total             6892
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj00930j1.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;Adding full bibliography for 7059583--7059584.cif.

 Adding full bibliography for 7059583--7059584.cif.
;
_cod_database_code               7059584
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.630
_shelx_estimated_absorpt_t_max   0.848
_shelx_res_checksum              43252