Crystallography Open Database

Information card for entry 1500020

Preview

Coordinates	1500020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76 F12 N4 O16 Ru4 S4
Calculated formula	C68 H72 F12 N4 O16 Ru4 S4
SMILES	[Ru]1234567([OH][Ru]89%10%11%12([OH]1)([c]1([cH]%12[cH]%11[c]%10([cH]9[cH]81)C)C(C)C)[n]1c8ccc9[n]([Ru]%10%11%12%13%14%15([OH][Ru]%16%17%18%19%20([OH]%10)([c]%10([cH]%16[cH]%17[c]%18(C)[cH]%19[cH]%20%10)C(C)C)[n]%10c%16ccc%17[n]7cccc%17c%16ccc%10)[c]7([cH]%11[cH]%12[c]%13(C)[cH]%14[cH]%157)C(C)C)cccc9c8ccc1)[c]1(C(C)C)[cH]2[cH]3[c]4(C)[cH]5[cH]61.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides
Authors of publication	Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro
Journal of publication	Journal of Inorganic Biochemistry
Year of publication	2008
Journal volume	102
Pages of publication	1025 - 1032
a	13.1234 ± 0.0006 Å
b	18.0169 ± 0.0009 Å
c	18.6161 ± 0.0009 Å
α	102.806 ± 0.001°
β	102.335 ± 0.001°
γ	107.799 ± 0.001°
Cell volume	3894.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1083
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.2636
Weighted residual factors for all reflections included in the refinement	0.2882
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1500020.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1500020.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1500020.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1500020.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	1500020.cif
457	2008-10-13	Depositing files from Acta-Cryst-B-2008_02-04, Acta-Cryst-C-2008_03-08, and personal contributions.	1500020.cif