Crystallography Open Database

Information card for entry 7715140

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Coordinates	7715140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.25 H48 Cu N2
Calculated formula	C34 H45 Cu N2
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	27.8759 ± 0.0004 Å
b	27.8759 ± 0.0004 Å
c	22.0267 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	14823.1 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7715140.cif
289796	2024-02-13	cif/ Adding structures of 7715138, 7715139, 7715140, 7715141 via cif-deposit CGI script.	7715140.cif