Crystallography Open Database

Information card for entry 4089185

Preview

Coordinates	4089185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Co N P3
Calculated formula	C32 H39 Co N P3
SMILES	[N]12[Co]3([P](c4ccccc4)(c4ccccc4)c4ccccc4[CH]=13)([P](C)(C)C)([P](C)(C)C)C2c1ccccc1
Title of publication	Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation
Authors of publication	Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	5
Pages of publication	975
a	8.3387 ± 0.0017 Å
b	11.621 ± 0.002 Å
c	15.844 ± 0.003 Å
α	94.46 ± 0.03°
β	93.61 ± 0.03°
γ	105.93 ± 0.03°
Cell volume	1466.2 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1674
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	0.899
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
238027 (current)	2019-11-24	cif/ Adding structures of 4089185, 4089186, 4089187, 4089188, 4089189 via cif-deposit CGI script.	4089185.cif