Crystallography Open Database

Information card for entry 1519325

1519324 << 1519325 >> 1519326

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Coordinates	1519325.cif
External links	PubChem

Structure parameters

Formula	C64 H76 F N O12 Si8
Calculated formula	C64 H76 F N O12 Si8
SMILES	[Si]12(O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O[Si](O[Si](O1)(O2)c1ccccc1)(O3)c1ccccc1)(O4)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[F-].[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Tetra-n-butylammonium octaphenyloctasilasesquioxane fluoride clathrate
Authors of publication	Light, Mark E.; Hursthouse, Michael B.; Taylor, P. G.; Pourny, M.; Bassindale, A. R.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	128
a	23.8267 ± 0.0004 Å
b	12.9976 ± 0.0003 Å
c	22.1794 ± 0.0005 Å
α	90°
β	108.155 ± 0.0012°
γ	90°
Cell volume	6526.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519325.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519325.cif
135676	2015-05-07	cif/ Adding structures of 1519325 via cif-deposit CGI script.	1519325.cif