Crystallography Open Database

Information card for entry 4086133

Preview

Coordinates	4086133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 N O4 Ru
Calculated formula	C40 H33 N O4 Ru
Title of publication	Nitrogen-Based Ligands Accelerate Ammonia Borane Dehydrogenation with the Shvo Catalyst
Authors of publication	Zhang, Xingyue; Lu, Zhiyao; Foellmer, Lena K.; Williams, Travis J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	15
Pages of publication	3732
a	37.751 ± 0.003 Å
b	10.6602 ± 0.0007 Å
c	17.1777 ± 0.0012 Å
α	90°
β	112.006 ± 0.001°
γ	90°
Cell volume	6409.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0301
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
154733 (current)	2015-09-06	cif/ Updating files of 4086132, 4086133 Original log message: Adding full bibliography for 4086132--4086133.cif.	4086133.cif
152624	2015-07-30	cif/ Adding structures of 4086133 via cif-deposit CGI script.	4086133.cif