Crystallography Open Database

Information card for entry 4326964

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Coordinates	4326964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.72 H45.48 Cl3.62 F6 N6 Ru S Sb
Calculated formula	C37.62 H35 Cl3.62 F6 N6 Ru S Sb
Title of publication	Thiocyanate Linkage Isomerism in a Ruthenium Polypyridyl Complex
Authors of publication	Timothy P. Brewster; Wendu Ding; Nathan D. Schley; Nilay Hazari; Victor S. Batista; Robert H. Crabtree
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	11938 - 11946
a	26.4182 ± 0.0019 Å
b	13.1752 ± 0.0003 Å
c	27.9765 ± 0.0016 Å
α	90°
β	115.532 ± 0.008°
γ	90°
Cell volume	8786.7 ± 1 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.2184
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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