Crystallography Open Database

Information card for entry 7026267

Preview

Coordinates	7026267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 N2 Ni O6 S10
Calculated formula	C24 H33 N2 Ni O6 S10
Title of publication	[18]Crown-6 rotator in spin-ladder compound of m-aminoanilinium([18]crown-6)[Ni(dmit)2]-.
Authors of publication	Akutagawa, Tomoyuki; Sato, Daisuke; Ye, Qiong; Endo, Toru; Noro, Shin-ichiro; Takeda, Sadamu; Nakamura, Takayoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	35
Pages of publication	8219 - 8227
a	10.78 ± 0.005 Å
b	12.576 ± 0.007 Å
c	13.666 ± 0.007 Å
α	82.92 ± 0.02°
β	75.67 ± 0.02°
γ	78.02 ± 0.02°
Cell volume	1750.9 ± 1.6 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.051
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	0.4
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026267.cif
93450	2014-01-13	cif/ Adding structures of 7026266, 7026267, 7026268, 7026269 via cif-deposit CGI script.	7026267.cif