Crystallography Open Database

Information card for entry 7011939

7011938 << 7011939 >> 7011940

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Coordinates	7011939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 Fe N8 O1.5
Calculated formula	C14 H8 Fe N8 O1.5
Title of publication	Structural analysis and magnetic properties of the 1D [Fe(dca)2bipy(H2O)]·1/2H2O and the 3D [Ni(dca)2bipy] (dca = dicyanamide; bipy = 4,4'-bipyridine)
Authors of publication	Susana Martín; M. Gotzone Barandika; J. M. Ezpeleta; Roberto Cortés; J. I. Ruiz de Larramendi; Luis Lezama; Teófilo Rojo
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	22
Pages of publication	4275 - 4280
a	22.366 ± 0.005 Å
b	22.366 ± 0.005 Å
c	13.311 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6659 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	0.648
Diffraction radiation wavelength	0.71073 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.	7011939.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011939.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011939.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011939.cif