Crystallography Open Database

Information card for entry 7203383

7203382 << 7203383 >> 7203384

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Coordinates	7203383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N Ni S6
Calculated formula	C20 H16 N Ni S6
Title of publication	Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder
Authors of publication	Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	26
Pages of publication	2746
a	14.914 ± 0.0009 Å
b	9.3981 ± 0.0007 Å
c	15.3174 ± 0.001 Å
α	90°
β	97.784 ± 0.004°
γ	90°
Cell volume	2127.2 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0542
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180364 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33.	7203383.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203383.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203383.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203383.cif