Crystallography Open Database

Information card for entry 4313984

Preview

Coordinates	4313984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H19 Cl5 N2 Ni S8
Calculated formula	C21.5 H19 Cl5 N2 Ni S8
Title of publication	Structural Studies of Transition Metal Complexes with 4,5-Bis(2-pyridylmethylsulfanyl)- -4',5'-ethylenedithiotetrathiafulvalene: Probing Their Potential for the Construction of Multifunctional Molecular Assemblies
Authors of publication	Shi-Xia Liu; Stefan Dolder; Patrick Franz; Antonia Neels; Helen Stoeckli-Evans; Silvio Decurtins
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4801 - 4803
a	23.0117 ± 0.0009 Å
b	8.4975 ± 0.0003 Å
c	31.1483 ± 0.0013 Å
α	90°
β	101.575 ± 0.003°
γ	90°
Cell volume	5966.9 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	4313984.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313984.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313984.cif
7056	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313984 via cif-deposit CGI script.	4313984.cif