Crystallography Open Database

Information card for entry 7709268

Preview

Coordinates	7709268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H43 Cu N2 Sn
Calculated formula	C40 H43 Cu N2 Sn
SMILES	[Sn]([Cu]=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)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	9.187 ± 0.0002 Å
b	20.1121 ± 0.0004 Å
c	19.8588 ± 0.0005 Å
α	90°
β	101.834 ± 0.002°
γ	90°
Cell volume	3591.32 ± 0.14 Å³
Cell temperature	150 ± 0.3 K
Ambient diffraction temperature	150 ± 0.3 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	0.0573
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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.	7709268.cif