Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.
Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.; Chemical science 8 (2017) 1316–1328; doi:10.1039/c6sc02390h

data_1544261
_publ_section_title
;
 Electronic nature of zwitterionic alkali metal methanides, silanides and
 germanides - a combined experimental and computational approach.
;
_journal_issue                   2
_journal_name_full               'Chemical science'
_journal_page_first              1316
_journal_page_last               1328
_journal_paper_doi               10.1039/c6sc02390h
_journal_volume                  8
_journal_year                    2017
_chemical_formula_sum            'C16 H39 K O6 Si3'
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_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    Air-sensitive
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;
2014-07-09 deposited with the CCDC.
2016-10-07 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_max 0.99
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'Re-crystallisation from solvent: Cold hexane'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1045P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3052
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6sc02390h2.cif
_cod_data_source_block           K-1
_cod_depositor_comments
;Adding full bibliography for 1544257--1544261.cif.

 Adding full bibliography for 1544257--1544261.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1544261
_shelxl_version_number           2014-3
_shelx_res_checksum              70592