Crystallography Open Database

Information card for entry 4329562

Preview

Coordinates	4329562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H31.5 Cr F12 N8.5 P2
Calculated formula	C41 H29.985 Cr F12 N8.5 P2
Title of publication	Scrutinizing Low-Spin Cr(II) Complexes
Authors of publication	Christopher C. Scarborough; Stephen Sproules; Christian J. Doonan; Karl S. Hagen; Thomas Weyhermüller; Karl Wieghardt
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6969 - 6982
a	14.9676 ± 0.0011 Å
b	14.9676 ± 0.0011 Å
c	63.056 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	12233.8 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.128
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329562.cif
78619	2013-04-02	cif/ Adding structures of 4329562 via cif-deposit CGI script.	4329562.cif