Crystallography Open Database

Information card for entry 7117409

Preview

Coordinates	7117409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H82 N4 O10 P2 Si6 W2
Calculated formula	C52 H82 N4 O10 P2 Si6 W2
Title of publication	Facile rotation around a silicon-phosphorus double bond enabled through coordination to tungsten
Authors of publication	Nora C. Breit; Tibor Szilvasi; Shigeyoshi Inoue
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	11272
a	18.8405 ± 0.0003 Å
b	10.1491 ± 0.0002 Å
c	34.9207 ± 0.0005 Å
α	90°
β	92.318 ± 0.001°
γ	90°
Cell volume	6671.87 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	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.	7117409.cif
139961	2015-07-03	cif/ Adding structures of 7117408, 7117409 via cif-deposit CGI script.	7117409.cif