Crystallography Open Database

Information card for entry 1570640

Preview

Coordinates	1570640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H57 Cu Ge N4 O2
Calculated formula	C59 H57 Cu Ge N4 O2
SMILES	[Ge](C(=O)N(C(=O)N([Cu]=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1)c1ccccc1)(c1ccccc1)(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	11.48162 ± 0.00007 Å
b	30.4535 ± 0.0002 Å
c	14.25277 ± 0.00012 Å
α	90°
β	94.8925 ± 0.0007°
γ	90°
Cell volume	4965.4 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
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	0.0545
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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.	1570640.cif