The complicating role of pnictogen bond formation in the solution-phase and solid-state structures of the heavier pnictogen atranes.
Moaven, Shiva; Villanueva, Olivia; Unruh, Daniel K.; Cozzolino, Anthony Frank; Dalton Transactions  (2022) –; doi:10.1039/D2DT01377K

data_7710674
_publ_section_title
;
 The complicating role of pnictogen bond formation in the solution-phase
 and solid-state structures of the heavier pnictogen atranes.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01377K
_journal_year                    2022
_chemical_formula_sum            'C24 H48 N4 O12 Sb4'
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_chemical_properties_physical    Air-sensitive,Moisture-sensitive
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_date             2017-01-06T09:54:59-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-04-26 deposited with the CCDC.	2022-07-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            19551
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_diffrn_reflns_theta_min         1.727
_exptl_absorpt_coefficient_mu    3.221
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6630
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_description       cube
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.145
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3767
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_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0167
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0177P)^2^+1.1794P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0386
_refine_ls_wR_factor_ref         0.0402
_reflns_number_gt                3364
_reflns_number_total             3767
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt01377k3.cif
_cod_data_source_block           Sb-1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7710674
_shelx_estimated_absorpt_t_min   0.652
_shelx_estimated_absorpt_t_max   0.869
_shelx_res_checksum              94841
_shelx_hkl_checksum              92026