Crystallography Open Database

Information card for entry 7115210

Preview

Coordinates	7115210.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3-Bis(ruthenocenyl)allylium hexafluorophosphate
Formula	C23 H21 F6 P Ru2
Calculated formula	C23 H21 F6 P Ru2
Title of publication	Effect of the end-groups upon delocalisation in polymethines: the first crystallographically characterised bond-alternated cyanine
Authors of publication	Barlow, Stephen; Henling, Lawrence M.; Day, Michael W.; Marder, Seth R.; Marder, Seth R.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	16
Pages of publication	1567
a	26.409 ± 0.006 Å
b	15.004 ± 0.003 Å
c	11.97 ± 0.003 Å
α	90°
β	113.83 ± 0.02°
γ	90°
Cell volume	4338.7 ± 1.8 Å³
Cell temperature	84 K
Ambient diffraction temperature	84 K
Number of distinct elements	5
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	0.0238
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0485
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	1.764
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
180266 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/52.	7115210.cif
120140	2014-07-12	cif/ Adding structures of 7115209, 7115210 via cif-deposit CGI script.	7115210.cif