Crystallography Open Database

Information card for entry 4086456

Preview

Coordinates	4086456.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	unimc22
Formula	C54 H68 F6 N4 O6 Ru2 S2
Calculated formula	C54 H68 F6 N4 O6 Ru2 S2
Title of publication	Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes
Authors of publication	Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	8
Pages of publication	1079
a	17.5416 ± 0.0014 Å
b	19.6877 ± 0.0015 Å
c	18.0574 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6236.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
182520 (current)	2016-05-04	cif/ Updating files of 4086455, 4086456, 4086457 Original log message: Adding full bibliography for 4086455--4086457.cif.	4086456.cif
181969	2016-04-08	cif/ Adding structures of 4086455, 4086456, 4086457 via cif-deposit CGI script.	4086456.cif