Crystallography Open Database

Information card for entry 7709270

Preview

Coordinates	7709270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H57 Cu N2 Sn
Calculated formula	C47 H57 Cu N2 Sn
SMILES	[Sn]([Cu]=C1N(CCCCN1c1c(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	12.30344 ± 0.00005 Å
b	16.9976 ± 0.00006 Å
c	20.11837 ± 0.00007 Å
α	90°
β	90°
γ	90°
Cell volume	4207.33 ± 0.03 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	0.0178
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
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
271950 (current)	2022-01-08	cif/ Adding structures of 7709268, 7709269, 7709270 via cif-deposit CGI script.	7709270.cif