Crystallography Open Database

Information card for entry 4309114

Preview

Coordinates	4309114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 N Ni O6 S10
Calculated formula	C25 H33 N Ni O6 S10
Title of publication	Magnetism of [Ni(dmit)2] Salts with [Meso- and (1S, 2S)-Diphenyl-1,2-Ethanediammonium]([18]crown-6)2 Supramolecular Cations
Authors of publication	Tomoyuki Akutagawa; Kazumasa Matsuura; Asako Hashimoto; Takayoshi Nakamura
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4454 - 4456
a	12.058 ± 0.002 Å
b	12.234 ± 0.002 Å
c	13.187 ± 0.002 Å
α	111.542 ± 0.003°
β	94.241 ± 0.005°
γ	103.08 ± 0.004°
Cell volume	1735.8 ± 0.5 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4309114.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309114.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309114.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).	4309114.cif