Crystallography Open Database

Information card for entry 4336409

Preview

Coordinates	4336409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 Cl2 N6 Ni2 O10
Calculated formula	C20 H40 Cl2 N6 Ni2 O10
SMILES	C1(C(C)=[N]2CC[N]([Ni]32[N]=1O[Ni]12[N](=C(C(C)=[N]1CC[N]2(CC)CC)C)O3)(CC)CC)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
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	7.475 ± 0.005 Å
b	21.747 ± 0.005 Å
c	9.689 ± 0.005 Å
α	90 ± 0.005°
β	111.622 ± 0.005°
γ	90 ± 0.005°
Cell volume	1464.2 ± 1.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4336409.cif
102400	2014-02-20	cif/ Adding structures of 4336409 via cif-deposit CGI script.	4336409.cif