Crystallography Open Database

Information card for entry 4088755

Preview

Coordinates	4088755.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PPN[Co(CO)2(CNArMes2)2] Et2O
Formula	C92 H90 Co N3 O3 P2
Calculated formula	C92 H90 Co N3 O3 P2
SMILES	[Co](C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(C#[O])(C#[O])C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.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	24.377 ± 0.004 Å
b	16.575 ± 0.003 Å
c	38.687 ± 0.006 Å
α	90°
β	98.267 ± 0.002°
γ	90°
Cell volume	15469 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.85 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1836
Residual factor for significantly intense reflections	0.1056
Weighted residual factors for significantly intense reflections	0.2008
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
237804 (current)	2019-11-24	cif/ Adding structures of 4088753, 4088754, 4088755, 4088756, 4088757, 4088758 via cif-deposit CGI script.	4088755.cif