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_7714466
_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         '0.143(C12 F24 Ge O4)'
_chemical_formula_sum            'C1.71 F3.43 Ge0.14 O0.57'
_chemical_formula_weight         105.24
_chemical_name_systematic
;
1
;
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_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                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            56
_cell_length_a                   18.7356(9)
_cell_length_b                   18.5219(10)
_cell_length_c                   11.6384(6)
_cell_measurement_reflns_used    14642
_cell_measurement_temperature    100
_cell_measurement_theta_max      2.06
_cell_measurement_theta_min      26.02
_cell_volume                     4038.7(4)
_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 0.999
_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  0.0477
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            148566
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    1.760
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    2.423
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.245
_exptl_crystal_size_min          0.201
_refine_diff_density_max         1.684
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.183
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.061(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1838
_refine_ls_number_reflns         15897
_refine_ls_number_restraints     4213
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0840
_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^)+(0.1611P)^2^+20.2823P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2274
_refine_ls_wR_factor_ref         0.2352
_reflns_number_gt                14642
_reflns_number_total             15897
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d3dt03626j2.cif
_cod_data_source_block           mo_tscfl26_2_0ma
_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_original_sg_symbol_H-M      'P 21'
_cod_database_code               7714466
_shelx_res_checksum              47763