Crystallography Open Database

Information card for entry 7032792

Preview

Coordinates	7032792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N Ni S10
Calculated formula	C20 H24 N Ni S10
Title of publication	Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts.
Authors of publication	Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	45
Pages of publication	17067 - 17074
a	8.5705 ± 0.0008 Å
b	36.825 ± 0.004 Å
c	17.6749 ± 0.0017 Å
α	90°
β	96.442 ± 0.001°
γ	90°
Cell volume	5543.1 ± 1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.1608
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	0.787
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180033 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27.	7032792.cif
126423	2014-11-06	cif/ Updating files of 7032789, 7032790, 7032791, 7032792 Original log message: Adding full bibliography for 7032789--7032792.cif.	7032792.cif
125261	2014-10-11	cif/ Adding structures of 7032789, 7032790, 7032791, 7032792 via cif-deposit CGI script.	7032792.cif