Remarkable coordination variability of the P,C,P-pincer ligand in organotin(IV) compounds - a promising outlook for other p-block elements.
Chlebík, Richard; Kertész, Erik; Erben, Milan; Růžička, Aleš; Jambor, Roman; Benkő, Zoltán; Dostál, Libor; Dalton transactions (Cambridge, England : 2003) 54 (2025) 15093–15106; doi:10.1039/d5dt01873k

data_7719380
_publ_section_title
;
 Remarkable coordination variability of the P,C,P-pincer ligand in
 organotin(IV) compounds - a promising outlook for other p-block elements.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15093
_journal_page_last               15106
_journal_paper_doi               10.1039/d5dt01873k
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C34 H55 B2 Cl O2 P2 Sn, C H2 Cl2'
_chemical_formula_sum            'C35 H57 B2 Cl3 O2 P2 Sn'
_chemical_formula_weight         818.40
_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   mixed
_audit_creation_method           'APEX4 v2021.10-0'
_audit_update_record
;
2025-07-02 deposited with the CCDC.	2025-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      1
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_computing_cell_refinement       'APEX4 v2022.10-0 (Bruker AXS)'
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_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
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_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_unetI/netI     0.0135
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            259778
_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.297
_diffrn_reflns_theta_min         2.385
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.920
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_exptl_absorpt_correction_T_min  0.6236
_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
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.456
_exptl_crystal_size_mid          0.293
_exptl_crystal_size_min          0.123
_refine_diff_density_max         1.148
_refine_diff_density_min         -1.324
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10206
_refine_ls_number_restraints     322
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0262P)^2^+6.1722P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0753
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9330
_reflns_number_total             10206
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01873k2.cif
_cod_data_source_block           1BH3
_cod_depositor_comments
'Adding full bibliography for 7719373--7719382.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7719380
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.679
_shelx_estimated_absorpt_t_max   0.895
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.836
;
_shelx_res_checksum              57001
_shelx_hkl_checksum              69783