Crystallography Open Database

Information card for entry 4334689

Preview

Coordinates	4334689.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(4'-phenylurea-2,2':6',2''-terpyridine)-(2,2':6',2''-terpyridine)- ruthenium(ii) hexafluorophospate hydrate
Formula	C37 H31.5 F12 N8 O1.75 P2 Ru
Calculated formula	C37 H28 F12 N8 O1.75 P2 Ru
Title of publication	Enhancing the Anion Affinity of Urea-Based Receptors with a Ru(terpy)22+ Chromophore
Authors of publication	Giorgio Baggi; Massimo Boiocchi; Carlo Ciarrocchi; Luigi Fabbrizzi
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5273 - 5283
a	11.642 ± 0.008 Å
b	13.47 ± 0.009 Å
c	13.904 ± 0.009 Å
α	90.65 ± 0.07°
β	101.89 ± 0.08°
γ	94.52 ± 0.09°
Cell volume	2126 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1597
Residual factor for significantly intense reflections	0.11
Weighted residual factors for significantly intense reflections	0.2885
Weighted residual factors for all reflections included in the refinement	0.3393
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
179449 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/46.	4334689.cif
100559	2014-02-06	cif/ Adding structures of 4334689 via cif-deposit CGI script.	4334689.cif