A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.
Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi; Dalton transactions (Cambridge, England : 2003) 53 (2023) 74–81; doi:10.1039/d3dt03626j

data_7714465
_publ_section_title
;
 A neutral germanium-centred hard and soft lewis superacid and its unique
 reactivity towards hydrosilanes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              74
_journal_page_last               81
_journal_paper_doi               10.1039/d3dt03626j
_journal_volume                  53
_journal_year                    2023
_chemical_compound_source        'see text'
_chemical_formula_moiety
'C24 H22.774 F24.997 Ge K O10, C24 H24 F25 Ge K O10'
_chemical_formula_sum            'C48 H46.78 F49.99 Ge2 K2 O20'
_chemical_formula_weight         2116.91
_chemical_name_systematic
;
[K(18-c-6)][F-1]
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2023-08-30 deposited with the CCDC.	2023-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                107.062(3)
_cell_angle_beta                 102.834(3)
_cell_angle_gamma                95.235(3)
_cell_formula_units_Z            2
_cell_length_a                   11.2001(10)
_cell_length_b                   15.7831(14)
_cell_length_c                   22.3057(19)
_cell_measurement_reflns_used    9510
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.72
_cell_measurement_theta_min      2.33
_cell_volume                     3623.2(6)
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_collection       'APEX III Control Software (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_molecular_graphics    'PLATON (Spek, 2011), MERCURY (Wood, 2020)'
_computing_publication_material  'PLATON (Spek, 2011)'
_computing_structure_refinement
'OLEX2 (Puschmann, 2015),SHELXL (Sheldrick, 2017), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Photon CMOS'
_diffrn_measurement_method       'phi- and omega-rotation'
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            133009
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    1.141
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2093
_exptl_crystal_size_max          0.580
_exptl_crystal_size_mid          0.318
_exptl_crystal_size_min          0.279
_refine_diff_density_max         0.548
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1277
_refine_ls_number_reflns         13270
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0348
_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^)+(0.0165P)^2^+7.4261P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                11373
_reflns_number_total             13270
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d3dt03626j2.cif
_cod_data_source_block           mo_tscfl29_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value ' multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7714462--7714466.cif.
;
_cod_database_code               7714465
_shelx_res_checksum              79891