Crystallography Open Database

Information card for entry 4088183

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Coordinates	4088183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H43 P2 Ru
Calculated formula	C27 H43 P2 Ru
SMILES	[Ru]12345([P](Cc6c2c(ccc6)C[P]1(C(C)C)C(C)C)(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	15.0644 ± 0.001 Å
b	29.8369 ± 0.0019 Å
c	11.2616 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5061.8 ± 0.6 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	4
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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