Crystallography Open Database

Information card for entry 4088182

Preview

Coordinates	4088182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 O2 P2 Ru
Calculated formula	C25 H40 O2 P2 Ru
SMILES	[RuH]12345([P](Oc6c2c(O[P]1(C(C)C)C(C)C)ccc6)(C(C)C)C(C)C)[CH]1=[CH]3C2CC1[CH]4=[CH]52
Title of publication	Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation
Authors of publication	Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	181
a	10.288 ± 0.003 Å
b	10.829 ± 0.003 Å
c	13.322 ± 0.004 Å
α	85.368 ± 0.006°
β	72.18 ± 0.005°
γ	63.267 ± 0.005°
Cell volume	1259.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237341 (current)	2019-11-24	cif/ Adding structures of 4088182 via cif-deposit CGI script.	4088182.cif