Crystallography Open Database

Information card for entry 4088677

Preview

Coordinates	4088677.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(Mes2NCC(H)NArMes2)(CO)3(CNArMes2)
Formula	C83.28 H88.37 Co N3 O3
Calculated formula	C83.2796 H88.3728 Co N3 O3
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	26.2209 ± 0.0013 Å
b	18.8401 ± 0.0009 Å
c	14.1228 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6976.7 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4088677.cif