Crystallography Open Database

Information card for entry 4088678

Preview

Coordinates	4088678.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(HCHNArMes2)(CNArMes2)]OTf
Formula	C51 H52 Co F3 N2 O3 S
Calculated formula	C51 H52 Co F3 N2 O3 S
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	14.8635 ± 0.0014 Å
b	12.9587 ± 0.0011 Å
c	23.5511 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4536.2 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4088678.cif