Crystallography Open Database

Information card for entry 4331681

Preview

Coordinates	4331681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Ni S4
Calculated formula	C6 H10 Ni S4
SMILES	C1(CC)=[S][Ni]234[Ni](S1)([S]=C(CC)S2)(SC(CC)=[S]3)[S]=C(CC)S4
Title of publication	Synthesis of a One-Dimensional Metal-Dimer Assembled System with Interdimer Interaction, M2(dtp)4(M = Ni, Pd; dtp = Dithiopropionato)
Authors of publication	Kobayashi, Atsushi; Kojima, Takahiko; Ikeda, Ryuichi; Kitagawa, Hiroshi
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	322 - 327
a	12.944 ± 0.0013 Å
b	12.944 ± 0.0013 Å
c	6.1728 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1034.2 ± 0.3 Å³
Cell temperature	293.1 K
Number of distinct elements	4
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71069 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.	4331681.cif
97798	2014-01-29	cif/ Adding structures of 4331681, 4331682 via cif-deposit CGI script.	4331681.cif