Crystallography Open Database

Information card for entry 4310784

Preview

Coordinates	4310784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 F12 N6 P2 Ru
Calculated formula	C28 H26 F12 N6 P2 Ru
SMILES	[Ru]1234([N](Cc5[n]1cccc5)(Cc1[n]2cccc1)Cc1[n]3cccc1)[n]1ccccc1c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Toward a Photochemical and Thermal Molecular Machine: Reversible Ligand Dissociation and Binding in a Ruthenium(II)-2,2'-bipyridine Complex with Tris(2-pyridylmethyl)amine
Authors of publication	Takahiko Kojima; Taisuke Sakamoto; Yoshihisa Matsuda
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2243 - 2245
a	13.022 ± 0.0009 Å
b	18.463 ± 0.001 Å
c	13.8049 ± 0.0009 Å
α	90°
β	101.116 ± 0.001°
γ	90°
Cell volume	3256.8 ± 0.4 Å³
Cell temperature	296.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4310784.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310784.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310784.cif
2276	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310784 via cif-deposit CGI script.	4310784.cif