Crystallography Open Database

Information card for entry 4131767

Preview

Coordinates	4131767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 Bi2 N4 O2 S Si4
Calculated formula	C24 H60 Bi2 N4 O2 S Si4
SMILES	[Bi]1(S[Bi]2N([Si](O[Si](N2C(C)(C)C)(C)C)(C)C)C(C)(C)C)N([Si](O[Si](N1C(C)(C)C)(C)C)(C)C)C(C)(C)C
Title of publication	Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.
Authors of publication	Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	46
Pages of publication	16490 - 16493
a	8.2256 ± 0.0003 Å
b	13.5394 ± 0.0005 Å
c	18.0192 ± 0.0006 Å
α	101.127 ± 0.003°
β	91.135 ± 0.003°
γ	101.759 ± 0.003°
Cell volume	1924.09 ± 0.12 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
241933 (current)	2019-11-25	cif/ Adding structures of 4131765, 4131766, 4131767, 4131768, 4131769, 4131770, 4131771, 4131772, 4131773, 4131774, 4131775, 4131776, 4131777 via cif-deposit CGI script.	4131767.cif