Crystallography Open Database

Information card for entry 7715141

Preview

Coordinates	7715141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H49 Cu N2
Calculated formula	C32 H49 Cu N2
SMILES	[Cu](=C1N(CCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)CCCC
Title of publication	Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.
Authors of publication	Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	9
Pages of publication	3990 - 3993
a	10.884 ± 0.0001 Å
b	16.2724 ± 0.0001 Å
c	17.2809 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3060.6 ± 0.04 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290208 (current)	2024-03-04	cif/ Updating files of 7715138, 7715139, 7715140, 7715141 Original log message: Adding full bibliography for 7715138--7715141.cif.	7715141.cif
289796	2024-02-13	cif/ Adding structures of 7715138, 7715139, 7715140, 7715141 via cif-deposit CGI script.	7715141.cif