Crystallography Open Database

Information card for entry 1563608

Preview

Coordinates	1563608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H87 Fe3 Sb2
Calculated formula	C51 H87 Fe3 Sb2
SMILES	[Sb]12[Fe]345678([Sb]9[Fe]%10%11%12%1313([Fe]13%14%15249[cH]2[c]%15([cH]3[c]%14([c]12C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[c]%11([c]%12([cH]%10[c]%131C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]7[c]5([c]6([cH]81)C(C)(C)C)C(C)(C)C)C(C)(C)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	12.3188 ± 0.0002 Å
b	20.5303 ± 0.0004 Å
c	20.549 ± 0.0004 Å
α	87.329 ± 0.002°
β	89.455 ± 0.001°
γ	88.319 ± 0.001°
Cell volume	5188.97 ± 0.17 Å³
Cell temperature	123 ± 0.2 K
Ambient diffraction temperature	123 ± 0.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.39222 Å
Diffraction radiation type	CuKβ
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.	1563608.cif