Crystallography Open Database

Information card for entry 4335260

Preview

Coordinates	4335260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H26 F9 Fe N6 O14 Ru S3
Calculated formula	C11 H26 F9 Fe N6 O14 Ru S3
Title of publication	140 H/D Isotopomers Identified by Long-Range NMR Hyperfine Shifts in Ruthenium(III) Ammine Complexes. Hyperconjugation in Ru-NH3 Bonding
Authors of publication	W. Michael Laidlaw; Robert G. Denning; Jennifer C. Green; Jonathan Boyd; Jeffrey Harmer; Amber L. Thompson
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7280 - 7294
a	7.9846 ± 0.0001 Å
b	13.3099 ± 0.0002 Å
c	14.6247 ± 0.0003 Å
α	96.5999 ± 0.0007°
β	91.526 ± 0.0007°
γ	91.9869 ± 0.0009°
Cell volume	1542.27 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for all reflections	0.0939
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	0.9989
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.	4335260.cif
101169	2014-02-10	cif/ Adding structures of 4335260 via cif-deposit CGI script.	4335260.cif