Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?
Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor; Dalton transactions (Cambridge, England : 2003) 53 (2024) 17721–17726; doi:10.1039/d4dt02787f

data_7717196
_publ_section_title
;
 Antimony centre in three different roles: does donor strength or acceptor
 ability determine the bonding pattern?
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17721
_journal_page_last               17726
_journal_paper_doi               10.1039/d4dt02787f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C33 H48 N9 Sb'
_chemical_formula_sum            'C33 H48 N9 Sb'
_chemical_formula_weight         692.55
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'APEX3 v2016.5-0'
_audit_update_record
;
2023-12-12 deposited with the CCDC.	2024-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.883(2)
_cell_angle_gamma                90
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_cell_length_b                   14.8090(7)
_cell_length_c                   10.7954(5)
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_cell_measurement_temperature    150(2)
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_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
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_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            69477
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.573
_diffrn_reflns_theta_min         2.314
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.824
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.593
_exptl_crystal_size_mid          0.542
_exptl_crystal_size_min          0.034
_refine_diff_density_max         0.496
_refine_diff_density_min         -1.199
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8063
_refine_ls_number_restraints     324
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0045P)^2^+6.0908P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0667
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6081
_reflns_number_total             8063
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02787f2.cif
_cod_data_source_block           ld220420Sb2_Ar3Bi
_cod_depositor_comments
'Adding full bibliography for 7717193--7717199.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7717196
_shelx_shelxl_version_number     2014/7
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.821
;
_shelx_res_checksum              55011
_shelx_hkl_checksum              55441