Crystallography Open Database

Information card for entry 4088185

Preview

Coordinates	4088185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H39 Cl O2 P2 Ru
Calculated formula	C25 H39 Cl O2 P2 Ru
SMILES	[Ru]12345(Cl)([P](Oc6c2c(O[P]1(C(C)C)C(C)C)ccc6)(C(C)C)C(C)C)[CH]1=[CH]3C2[CH]4=[CH]5C1C2
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	7.9825 ± 0.0006 Å
b	36.013 ± 0.003 Å
c	9.7324 ± 0.0006 Å
α	90°
β	115.165 ± 0.005°
γ	90°
Cell volume	2532.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
237347 (current)	2019-11-24	cif/ Adding structures of 4088185 via cif-deposit CGI script.	4088185.cif