Crystallography Open Database

Information card for entry 7701514

Preview

Coordinates	7701514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H68 N4 Ni4 O12
Calculated formula	C48 H68 N4 Ni4 O12
Title of publication	{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.
Authors of publication	Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10427 - 10434
a	12.548 ± 0.003 Å
b	20.583 ± 0.006 Å
c	12.063 ± 0.003 Å
α	90°
β	114.276 ± 0.01°
γ	90°
Cell volume	2840.1 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
223293 (current)	2019-11-05	cif/ Adding structures of 7701512, 7701513, 7701514 via cif-deposit CGI script.	7701514.cif