Crystallography Open Database

Information card for entry 4518458

Preview

Coordinates	4518458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H49 Co P4
Calculated formula	C52 H49 Co P4
SMILES	[CoH]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1
Title of publication	Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration
Authors of publication	Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	1548 - 1553
a	9.8781 ± 0.0005 Å
b	20.7751 ± 0.0013 Å
c	20.9768 ± 0.0012 Å
α	90°
β	92.271 ± 0.002°
γ	90°
Cell volume	4301.4 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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