Crystallography Open Database

Information card for entry 4306627

Preview

Coordinates	4306627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H61.2 N18 Ni5 O20.6
Calculated formula	C48 H56 N18 Ni5 O20.6
Title of publication	Slow Magnetic Relaxation of a Ferromagnetic NiII5 Cluster with an S= 5 Ground State
Authors of publication	Athanassios K. Boudalis; Michael Pissas; Catherine P. Raptopoulou; Vassilis Psycharis; Belén Abarca; Rafael Ballesteros
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10674 - 10681
a	15.9095 ± 0.0006 Å
b	21.7322 ± 0.0008 Å
c	22.3558 ± 0.0007 Å
α	90°
β	108.248 ± 0.001°
γ	90°
Cell volume	7340.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1118
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179104 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/66.	4306627.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306627.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306627.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306627.cif