Crystallography Open Database

Information card for entry 1563609

Preview

Coordinates	1563609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H113 Co3 Sb2
Calculated formula	C127 H113 Co3 Sb2
SMILES	[Sb]12[Co]345678([Sb]9[Co]%10%11%12%1313([Co]13%14%15249[c]2([c]3([c]1([c]%15([c]%142Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)[c]1([c]%12([c]%10(Cc2ccccc2)[c]%13([c]%111Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)[c]1([c]5([c]6([c]8([c]71Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.c1cccc(c1)C
Title of publication	Transfer of Polyantimony Units
Authors of publication	Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred
Journal of publication	Chemical Science
Year of publication	2021
a	16.0588 ± 0.0002 Å
b	19.7981 ± 0.0002 Å
c	30.5084 ± 0.0004 Å
α	90°
β	91.176 ± 0.001°
γ	90°
Cell volume	9697.6 ± 0.2 Å³
Cell temperature	128.5 ± 0.3 K
Ambient diffraction temperature	128.5 ± 0.3 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
266587 (current)	2021-06-20	cif/ Adding structures of 1563605, 1563606, 1563607, 1563608, 1563609, 1563610 via cif-deposit CGI script.	1563609.cif