Crystallography Open Database

Information card for entry 1561228

Preview

Coordinates	1561228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H148 Ba2 O11 Sn4
Calculated formula	C116 H148 Ba2 O11 Sn4
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	17.2099 ± 0.0009 Å
b	35.155 ± 0.002 Å
c	18.6605 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	11289.9 ± 1.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1561228.cif
263277	2021-03-24	cif/ Adding structures of 1561223, 1561224, 1561225, 1561226, 1561227, 1561228 via cif-deposit CGI script.	1561228.cif