Crystallography Open Database

Information card for entry 7241703

Preview

Coordinates	7241703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H37 Cu F6 N O Sb
Calculated formula	C22 H37 Cu F6 N O Sb
SMILES	[Sb](F)(F)(F)(F)([F-])F.[Cu](=C1N(C(CC1(CC)CC)(C)C)c1c(cccc1C(C)C)C(C)C)[OH2]
Title of publication	Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.
Authors of publication	Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	1577 - 1583
a	8.4439 ± 0.0003 Å
b	11.196 ± 0.0004 Å
c	27.3426 ± 0.001 Å
α	90°
β	97.227 ± 0.001°
γ	90°
Cell volume	2564.38 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
261768 (current)	2021-02-05	cif/ Updating files of 7241701, 7241702, 7241703 Original log message: Adding full bibliography for 7241701--7241703.cif.	7241703.cif
259710	2020-12-09	cif/ Adding structures of 7241701, 7241702, 7241703 via cif-deposit CGI script.	7241703.cif