Crystallography Open Database

Information card for entry 4088756

Preview

Coordinates	4088756.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HCo(CO)2(CNArMes2)2
Formula	C52 H51 Co N2 O2
Calculated formula	C52 H51 Co N2 O2
SMILES	[CoH](C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(C#[O])(C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)C#[O]
Title of publication	A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation
Authors of publication	Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	14
Pages of publication	2319
a	15.658 ± 0.003 Å
b	13.44 ± 0.003 Å
c	20.941 ± 0.004 Å
α	90°
β	104.796 ± 0.008°
γ	90°
Cell volume	4260.8 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
237804 (current)	2019-11-24	cif/ Adding structures of 4088753, 4088754, 4088755, 4088756, 4088757, 4088758 via cif-deposit CGI script.	4088756.cif