Crystallography Open Database

Information card for entry 7029224

Preview

Coordinates	7029224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H54.5 Cl F6 N15 O10.25 P Ru
Calculated formula	C56.5 H54.5 Cl F6 N15 O10.25 P Ru
Title of publication	Synthesis, structural, photophysical and electrochemical studies of various d-metal complexes of btp [2,6-bis(1,2,3-triazol-4-yl)pyridine] ligands that give rise to the formation of metallo-supramolecular gels.
Authors of publication	Byrne, Joseph P.; Kitchen, Jonathan A.; Kotova, Oxana; Leigh, Vivienne; Bell, Alan P.; Boland, John J.; Albrecht, Martin; Gunnlaugsson, Thorfinnur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	196 - 209
a	12.235 ± 0.002 Å
b	17.491 ± 0.004 Å
c	17.627 ± 0.004 Å
α	105.76 ± 0.03°
β	105.52 ± 0.03°
γ	93.49 ± 0.03°
Cell volume	3461.6 ± 1.5 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.2099
Weighted residual factors for all reflections included in the refinement	0.2138
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
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.	7029224.cif
105547	2014-03-12	cif/ Adding structures of 7029223, 7029224, 7029225 via cif-deposit CGI script.	7029224.cif