Crystallography Open Database

Information card for entry 4131771

Preview

Coordinates	4131771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H110 Bi Cl N2 O Si2
Calculated formula	C104 H110 Bi Cl N2 O Si2
SMILES	[Bi]1(Cl)N([Si](O[Si](N1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)(C)C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)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	18.0673 ± 0.0003 Å
b	19.7078 ± 0.0003 Å
c	24.446 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8704.4 ± 0.2 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	7
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	0.0307
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	4131771.cif