Crystallography Open Database

Information card for entry 1561223

Preview

Coordinates	1561223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62 Ca O4 Sn2
Calculated formula	C52 H62 Ca O4 Sn2
SMILES	c1(ccccc1)[Sn](c1ccccc1)(c1ccccc1).[Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.c1(ccccc1)[Sn](c1ccccc1)c1ccccc1
Title of publication	Metal‒metal bonded alkaline-earth distannyls
Authors of publication	Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	20
Pages of publication	7098 - 7114
a	16.2273 ± 0.0012 Å
b	15.8447 ± 0.0009 Å
c	18.9351 ± 0.0014 Å
α	90°
β	98.715 ± 0.003°
γ	90°
Cell volume	4812.3 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
265915 (current)	2021-06-05	cif/ Updating files of 1561223, 1561224, 1561225, 1561226, 1561227, 1561228 Original log message: Adding full bibliography for 1561223--1561228.cif.	1561223.cif
263277	2021-03-24	cif/ Adding structures of 1561223, 1561224, 1561225, 1561226, 1561227, 1561228 via cif-deposit CGI script.	1561223.cif