Crystallography Open Database

Information card for entry 4088222

Preview

Coordinates	4088222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H49 Co N2 P4 Si
Calculated formula	C39 H49 Co N2 P4 Si
SMILES	[Co]12([Si]3(N(c4c(N3C[P]1(c1ccccc1)c1ccccc1)cccc4)C[P]2(c1ccccc1)c1ccccc1)C)([P](C)(C)C)[P](C)(C)C
Title of publication	Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions
Authors of publication	Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	3
Pages of publication	357
a	10.1868 ± 0.0003 Å
b	17.4456 ± 0.0006 Å
c	21.5534 ± 0.0008 Å
α	81.77 ± 0.003°
β	86.79 ± 0.003°
γ	88.505 ± 0.003°
Cell volume	3784.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0501
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1
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
237394 (current)	2019-11-24	cif/ Adding structures of 4088221, 4088222, 4088223, 4088224 via cif-deposit CGI script.	4088222.cif