Crystallography Open Database

Information card for entry 7027103

Preview

Coordinates	7027103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H62 K2 O3 Si3
Calculated formula	C32 H62 K2 O3 Si3
SMILES	[K]([O]1CCCC1)[O]1CCCC1.[K][O]1CCCC1.[Si](C)(C)(C)[C-]1C=C(CCC1)[Si](C)(C)C1=C[C-](CCC1)[Si](C)(C)C
Title of publication	Synthesis and structures of some silylallyl-lithium or -potassium complexes
Authors of publication	Hitchcock, Peter B.; Lappert, Michael F.; Leung, Wing-Por; Liu, Dian-Sheng; Mak, Thomas C. W.; Wang, Zhong-Xia
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	8
Pages of publication	1257
a	17.298 ± 0.001 Å
b	20.032 ± 0.001 Å
c	11.727 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4063.6 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2606
Weighted residual factors for all reflections included in the refinement	0.2684
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179977 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/71.	7027103.cif
134573	2015-04-01	cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values.	7027103.cif
95000	2014-01-28	cif/ Adding structures of 7027103, 7027104 via cif-deposit CGI script.	7027103.cif