Crystallography Open Database

Information card for entry 7017722

Preview

Coordinates	7017722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cr F20 N O
Calculated formula	C40 H36 Cr F20 N O
SMILES	[Cr](=O)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	A square-pyramidal organochromium(V) compound.
Authors of publication	García-Monforte, M Angeles; Alonso, Pablo J.; Arauzo, Ana B.; Martín, Antonio; Menjón, Babil; Rillo, Conrado
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	4
Pages of publication	1297 - 1303
a	18.3583 ± 0.0002 Å
b	19.4978 ± 0.0002 Å
c	22.7303 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8136.23 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179881 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/77.	7017722.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017722.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017722.cif
33401	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017722 via cif-deposit CGI script.	7017722.cif