Crystallography Open Database

Information card for entry 1500021

Preview

Coordinates	1500021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H84 N8 O20 Ru4
Calculated formula	C64 H72 N8 O20 Ru4
SMILES	[Ru]1234567([OH][Ru]89%10%11%12([OH]1)([c]1([cH]8[cH]9[c]%10([cH]%11[cH]%121)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]%20[cH]%19[c]%18([cH]%17[cH]%16%10)C)C(C)C)[n]%10c%16ccc%17[n]7cccc%17c%16ccc%10)[c]7([cH]%15[cH]%14[c]%13([cH]%12[cH]%117)C)C(C)C)cccc9c8ccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
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	32.9293 ± 0.0014 Å
b	20.2105 ± 0.0009 Å
c	22.498 ± 0.0009 Å
α	90°
β	105.708 ± 0.001°
γ	90°
Cell volume	14413.6 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.234
Weighted residual factors for all reflections included in the refinement	0.2589
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	1500021.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1500021.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1500021.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.	1500021.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	1500021.cif
457	2008-10-13	Depositing files from Acta-Cryst-B-2008_02-04, Acta-Cryst-C-2008_03-08, and personal contributions.	1500021.cif