Crystallography Open Database

Information card for entry 4081854

Preview

Coordinates	4081854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H57 B F24 Ni P2 Ru S2
Calculated formula	C71 H57 B F24 Ni P2 Ru S2
Title of publication	Organo Ruthenium‒Nickel Dithiolates with Redox-Responsive Nickel Sites
Authors of publication	Chambers, Geoffrey M.; Angamuthu, Raja; Gray, Danielle L.; Rauchfuss, Thomas B.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6324
a	12.3813 ± 0.0015 Å
b	16.484 ± 0.002 Å
c	18.511 ± 0.002 Å
α	102.366 ± 0.001°
β	103.852 ± 0.001°
γ	92.997 ± 0.001°
Cell volume	3561.6 ± 0.7 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 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	0.0535
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178707 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/18.	4081854.cif
91783	2013-12-13	cif/ Adding structures of 4081852, 4081853, 4081854, 4081855 via cif-deposit CGI script.	4081854.cif