An intramolecular phosphine-oxide stabilized germanium(iv) di-cation with enhanced Lewis acidity and catalytic applications
Kumari, Akanksha; Peddi, Balakrishna; Yildiz, Cem. B.; Majumdar, Moumita; Chemical Communications 61 (2025) 6506–6509; doi:10.1039/D5CC00250H

data_7134360
_publ_section_title
;
 An intramolecular phosphine-oxide stabilized germanium(iv) di-cation with
 enhanced Lewis acidity and catalytic applications
;
_journal_issue                   35
_journal_name_full               'Chemical Communications'
_journal_page_first              6506
_journal_page_last               6509
_journal_paper_doi               10.1039/D5CC00250H
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C89 H114 Cl6 F24 Ge2 N4 O4 P4 Sb4'
_chemical_formula_weight         2728.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-01-14 deposited with the CCDC.	2025-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.368(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   42.865(13)
_cell_length_b                   16.681(5)
_cell_length_c                   14.760(4)
_cell_measurement_reflns_used    5305
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.995
_cell_measurement_theta_min      2.256
_cell_volume                     10508(5)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-4'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32891
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.486
_diffrn_reflns_theta_min         1.311
_exptl_absorpt_coefficient_mu    1.884
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6336
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_description       needle
_exptl_crystal_F_000             5416
_exptl_crystal_preparation       DCM/pentane
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         9676
_refine_ls_number_restraints     315
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0401
_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^)+(0.0284P)^2^+28.9944P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0930
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6688
_reflns_number_total             9676
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc00250h2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7134358--7134361.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134360
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              16423
_shelx_hkl_checksum              60293