Crystallography Open Database

Information card for entry 7116015

Preview

Coordinates	7116015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C271 H223 Cl14 N24 Ni26 O96
Calculated formula	C271 H223 Cl14 N24 Ni26 O96
Title of publication	Structural aesthetics in molecular nanoscience: a unique Ni26 cluster with a 'rabbit-face' topology and a discrete Ni18 'molecular chain'
Authors of publication	Angeliki A. Athanasopoulou; Melanie Pilkington; Catherine P. Raptopoulou; Albert Escuer; Theocharis C. Stamatatos
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	14942
a	25.9587 ± 0.0013 Å
b	45.854 ± 0.002 Å
c	32.6079 ± 0.0017 Å
α	90°
β	94.904 ± 0.003°
γ	90°
Cell volume	38671 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1328
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.1875
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116015.cif
128781	2014-12-16	cif/ Adding structures of 7116015, 7116016 via cif-deposit CGI script.	7116015.cif