Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.
Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias; Chemical communications (Cambridge, England) 59 (2023) 2295–2298; doi:10.1039/d2cc06697a

data_7131247
_publ_section_title
;
 Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and
 site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.
;
_journal_issue                   16
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2295
_journal_page_last               2298
_journal_paper_doi               10.1039/d2cc06697a
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety
'(C20 H60 Cl4 Ge4 Si10)0.142 (C22 H66 Cl2 Ge5 Si9)0.858'
_chemical_formula_sum            'C21.72 H65.15 Cl2.28 Ge4.86 Si9.14'
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_chemical_properties_physical    Air-sensitive,Moisture-sensitive
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_space_group_name_Hall           '-C 2c 2'
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_audit_update_record
;
2023-01-10 deposited with the CCDC.	2023-01-30 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_full 0.993
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_diffrn_measurement_device       '2-circle goniometer'
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_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_Laue_measured_fraction_full 0.993
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;
CrysAlisPro 1.171.42.43a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
_exptl_crystal_F_000             2071
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.507
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2490
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_refine_ls_R_factor_all          0.0762
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0342P)^2^+1.0401P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                1674
_reflns_number_total             2490
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           wa3012_AV
_cod_depositor_comments
'Adding full bibliography for 7131246--7131250.cif.'
_cod_database_code               7131247
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.587
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