Crystallography Open Database

Information card for entry 7709269

Preview

Coordinates	7709269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H55 Cu N2 Sn
Calculated formula	C46 H55 Cu N2 Sn
SMILES	[Sn]([Cu]=C1N(CCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The structures of ring-expanded NHC supported copper(i) triphenylstannyls and their phenyl transfer reactivity towards heterocumulenes
Authors of publication	Charman, Rex S. C.; Mahon, Mary F.; Lowe, John P.; Liptrot, David J.
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.9889 ± 0.0003 Å
b	17.2083 ± 0.0004 Å
c	20.1914 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4165.66 ± 0.16 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
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	0.0368
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
271950 (current)	2022-01-08	cif/ Adding structures of 7709268, 7709269, 7709270 via cif-deposit CGI script.	7709269.cif