Crystallography Open Database

Information card for entry 4088757

Preview

Coordinates	4088757.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Na(Et2O)[Co(CO)3(CNArMes2)]
Formula	C32 H35 Co N Na O4
Calculated formula	C32 H35 Co N Na O4
SMILES	[Co](C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(C#[O])(C#[O])C#[O][Na][O](CC)CC
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	11.2666 ± 0.0014 Å
b	12.1163 ± 0.0014 Å
c	12.1953 ± 0.0012 Å
α	104.217 ± 0.008°
β	111.985 ± 0.008°
γ	90.688 ± 0.008°
Cell volume	1486.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.082
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1089
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264242 (current)	2021-04-16	cif/4 Fixing some Z values and formulae	4088757.cif
237804	2019-11-24	cif/ Adding structures of 4088753, 4088754, 4088755, 4088756, 4088757, 4088758 via cif-deposit CGI script.	4088757.cif