Crystallography Open Database

Information card for entry 4086457

Preview

Coordinates	4086457.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	unimc31
Formula	C68 H82 F3 N4 O3 Ru2 S
Calculated formula	C68 H82 F3 N4 O3 Ru2 S
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	38.385 ± 0.004 Å
b	40.031 ± 0.004 Å
c	16.3398 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	25108 ± 4 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	4086457.cif
181969	2016-04-08	cif/ Adding structures of 4086455, 4086456, 4086457 via cif-deposit CGI script.	4086457.cif