Crystallography Open Database

Information card for entry 7052644

Preview

Coordinates	7052644.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PPh4)2(Ru2(piv)4W(CN)8).0.5H2O
Chemical name	(PPh4)2[Ru2(piv)4W(CN)8].0.5H2O
Formula	C76 H77 N8 O8.5 P2 Ru2 W
Calculated formula	C76 H76 N8 O8.5 P2 Ru2 W
Title of publication	Molecule-based magnetic materials based on dinuclear ruthenium carboxylate and octacyanotungstate
Authors of publication	Mikuriya, Masahiro; Yoshioka, Daisuke; Borta, Ana; Luneau, Dominique; Matoga, Dariusz; Szklarzewicz, Janusz; Handa, Makoto
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1226
a	13.779 ± 0.011 Å
b	25.28 ± 0.02 Å
c	20.913 ± 0.018 Å
α	90°
β	93.576 ± 0.016°
γ	90°
Cell volume	7271 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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.	7052644.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052644.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052644.cif
23554	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052644, 7052645 via cif-deposit CGI script.	7052644.cif