Crystallography Open Database

Information card for entry 4081853

Preview

Coordinates	4081853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H98 Cl4 Ni2 O3 P4 Ru2 S4
Calculated formula	C81 H94 Cl4 Ni2 O3 P4 Ru2 S4
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	27.436 ± 0.0009 Å
b	18.9405 ± 0.0007 Å
c	18.6196 ± 0.0006 Å
α	90°
β	121.666 ± 0.001°
γ	90°
Cell volume	8235.2 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
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	0.0495
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4081853.cif
91783	2013-12-13	cif/ Adding structures of 4081852, 4081853, 4081854, 4081855 via cif-deposit CGI script.	4081853.cif