Crystallography Open Database

Information card for entry 4089186

Preview

Coordinates	4089186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Cl Co N P3
Calculated formula	C32 H38 Cl Co N P3
SMILES	[Co]123([P](c4ccccc4)(c4ccccc4)c4ccccc4[CH]2=[N]1C3c1ccc(Cl)cc1)([P](C)(C)C)[P](C)(C)C
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	8.5606 ± 0.0003 Å
b	9.7857 ± 0.0004 Å
c	19.9625 ± 0.0008 Å
α	89.813 ± 0.003°
β	80.316 ± 0.003°
γ	69.325 ± 0.003°
Cell volume	1539.44 ± 0.11 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.073
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1696
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
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.	4089186.cif