Crystallography Open Database

Information card for entry 4309394

Preview

Coordinates	4309394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 Cl2 N4 Ni O4
Calculated formula	C22 H34 Cl2 N4 Ni O4
SMILES	[Ni]12(Cl)(Cl)([O](Cc3[n]1ccc([N](=O)C(C)(C)C)c3)C)[O](Cc1[n]2ccc([N](=O)C(C)(C)C)c1)C
Title of publication	Crystal Structures and Magnetic Properties of Complexes of MIICl2 (M = Cu, Ni, and Co) Coordinated with 4-(N-tert-butyloxyamino)-2-(methoxymethylenyl)pyridine: 2D Magnetic Anisotropy of the Aminoxyl-CoII Complex in the Crystalline State
Authors of publication	Zhicheng Zhu; Satoru Karasawa; Noboru Koga
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6004 - 6011
a	20.05 ± 0.02 Å
b	11.14 ± 0.01 Å
c	14.25 ± 0.01 Å
α	90°
β	127.1 ± 0.03°
γ	90°
Cell volume	2539 ± 4 Å³
Cell temperature	123.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.59
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309394.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309394.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309394.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309394.cif