Crystallography Open Database

Information card for entry 4131770

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Coordinates	4131770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 Li N O3 Si
Calculated formula	C48 H59 Li N O3 Si
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	23.9315 ± 0.0005 Å
b	19.534 ± 0.0004 Å
c	18.5814 ± 0.0003 Å
α	90°
β	93.4128 ± 0.0018°
γ	90°
Cell volume	8671 ± 0.3 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	6
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	0.0738
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1753
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
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.	4131770.cif