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_7717198
_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 Cl2 N9 Pd Sb, 3(C H2 Cl2)'
_chemical_formula_sum            'C36 H54 Cl8 N9 Pd Sb'
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2024-10-08 deposited with the CCDC.	2024-10-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.068(2)
_cell_angle_gamma                90
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_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
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_computing_structure_solution    'XT, VERSION 2014/5'
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_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
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_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            110423
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.498
_diffrn_reflns_theta_min         2.318
_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            orange
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_exptl_crystal_description       needle
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.593
_exptl_crystal_size_mid          0.174
_exptl_crystal_size_min          0.172
_refine_diff_density_max         1.561
_refine_diff_density_min         -1.397
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       0.00229(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.166
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         9970
_refine_ls_number_restraints     361
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0416
_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^)+24.4823P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.0893
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8750
_reflns_number_total             9970
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02787f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7717193--7717199.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7717198
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.488
_shelx_estimated_absorpt_t_max   0.793
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.689
;
_shelx_res_checksum              24017
_shelx_hkl_checksum              22149
_shelx_fab_checksum              93668