Crystallography Open Database

Information card for entry 4088979

Preview

Coordinates	4088979.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sef2_142
Chemical name	sef2_142_0ma
Formula	C71 H67 Cl4 F18 N12 O2 P5 Ru2
Calculated formula	C71 H67 Cl4 F18 N12 O2 P5 Ru2
Title of publication	H2 Production Mediated by CO2 via Initial Reduction to Formate
Authors of publication	Norris, Michael R.; Flowers, Sarah E.; Mathews, Ashley M.; Cossairt, Brandi M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	2778
a	27.5062 ± 0.0015 Å
b	12.3658 ± 0.0006 Å
c	24.5908 ± 0.0013 Å
α	90°
β	110.471 ± 0.005°
γ	90°
Cell volume	7836 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0651
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
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
237907 (current)	2019-11-24	cif/ Adding structures of 4088978, 4088979, 4088980 via cif-deposit CGI script.	4088979.cif