Crystallography Open Database

Information card for entry 4088184

Preview

Coordinates	4088184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 Cl O2 P3 Ru
Calculated formula	C36 H46 Cl O2 P3 Ru
SMILES	[Ru]12(Cl)([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
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	10.1857 ± 0.0006 Å
b	10.318 ± 0.0006 Å
c	18.04 ± 0.001 Å
α	73.459 ± 0.001°
β	85.247 ± 0.001°
γ	69.059 ± 0.001°
Cell volume	1697.05 ± 0.17 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
237345 (current)	2019-11-24	cif/ Adding structures of 4088184 via cif-deposit CGI script.	4088184.cif