Crystallography Open Database

Information card for entry 1570633

Preview

Coordinates	1570633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H43 Cu Ge N2
Calculated formula	C40 H43 Cu Ge N2
SMILES	[Ge]([Cu]=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The structures and reactivity of NHC-supported copper(i) triphenylgermyls
Authors of publication	Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	2
Pages of publication	584 - 593
a	8.9616 ± 0.0001 Å
b	19.7494 ± 0.0001 Å
c	20.04 ± 0.0002 Å
α	90°
β	100.99 ± 0.001°
γ	90°
Cell volume	3481.76 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
288659 (current)	2024-01-04	cif/ Adding structures of 1570632, 1570633, 1570634, 1570635, 1570636, 1570637, 1570638, 1570639, 1570640, 1570641 via cif-deposit CGI script.	1570633.cif