Crystallography Open Database

Information card for entry 4336411

Preview

Coordinates	4336411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H68 Cl2 N10 Ni4 O20
Calculated formula	C32 H68 Cl2 N10 Ni4 O19.92
Title of publication	Di-, Tri-, and Tetranuclear Nickel(II) Complexes with Oximato Bridges: Magnetism and Catecholase-like Activity of Two Tetranuclear Complexes Possessing Rhombic Topology
Authors of publication	Lakshmi Kanta Das; Apurba Biswas; Jared S. Kinyon; Naresh S. Dalal; Haidong Zhou; Ashutosh Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11744 - 11757
a	14.866 ± 0.005 Å
b	10.451 ± 0.005 Å
c	17.251 ± 0.005 Å
α	90°
β	96.573 ± 0.005°
γ	90°
Cell volume	2662.6 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0701
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179467 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/64.	4336411.cif
102402	2014-02-20	cif/ Adding structures of 4336411 via cif-deposit CGI script.	4336411.cif