Crystallography Open Database

Information card for entry 4505353

Preview

Coordinates	4505353.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Methyltriphenylphosphonium tris(dicyanamido)ferrate(II)
Formula	C25 H18 Fe N9 P
Calculated formula	C25 H18 Fe N9 P
Title of publication	Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks
Authors of publication	van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	3
Pages of publication	503
a	13.9104 ± 0.0004 Å
b	17.0365 ± 0.0002 Å
c	20.815 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4932.83 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179588 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53.	4505353.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505353.cif
51398	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505353, 4505354, 4505355, 4505356, 4505357, 4505358 via cif-deposit CGI script.	4505353.cif