Crystallography Open Database

Information card for entry 4088673

Preview

Coordinates	4088673.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(H)(CNArMes2)3(XylNC)
Formula	C90 H100 Co N4 O
Calculated formula	C84 H85 Co N4
Title of publication	A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides
Authors of publication	Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	14
Pages of publication	2309
a	13.365 ± 0.004 Å
b	14.291 ± 0.004 Å
c	21.974 ± 0.005 Å
α	104.196 ± 0.008°
β	90.338 ± 0.009°
γ	116.827 ± 0.008°
Cell volume	3597.8 ± 1.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 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	0.1172
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237758 (current)	2019-11-24	cif/ Adding structures of 4088667, 4088668, 4088669, 4088670, 4088671, 4088672, 4088673, 4088674, 4088675, 4088676, 4088677, 4088678 via cif-deposit CGI script.	4088673.cif