Crystallography Open Database

Information card for entry 1520475

1520474 << 1520475 >> 1520476

Preview

Coordinates	1520475.cif
External links	PubChem

Structure parameters

Formula	C16 H44 F6 N2 O2 Si
Calculated formula	C16 H44 F6 N2 O2 Si
Title of publication	[(C8H20N)2(SiF6).2H2O]
Authors of publication	Horton, Peter N.; Hursthouse, Michael B.; Taylor, Peter G.
Journal of publication	Crystal Structure Report Archive
Year of publication	2010
Pages of publication	1346
a	6.9836 ± 0.0001 Å
b	13.2116 ± 0.0002 Å
c	12.0495 ± 0.0002 Å
α	90°
β	91.532 ± 0.001°
γ	90°
Cell volume	1111.34 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.299
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520475.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520475.cif
138996	2015-06-09	cif/ Adding structures of 1520475 via cif-deposit CGI script.	1520475.cif