Crystallography Open Database

Information card for entry 4312187

Preview

Coordinates	4312187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 F12 N7 O4 P2 Ru
Calculated formula	C34 H25 F12 N7 O4 P2 Ru
SMILES	[Ru]123([n]4c(cc(cc4)C(=O)O)c4[n]1ccc(c4)C(=O)O)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Efficient DNA Binding by Optically Pure Ruthenium Tris(bipyridyl) Complexes Incorporating Carboxylic Functionalities. Solution and Structural Analysis
Authors of publication	Régis Caspar; Léna Musatkina; Alexander Tatosyan; Hani Amouri; Michel Gruselle; Carine Guyard-Duhayon; Raphaël Duval; Christine Cordier
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7986 - 7993
a	18.354 ± 0.003 Å
b	21.771 ± 0.004 Å
c	20.752 ± 0.005 Å
α	90°
β	110.837 ± 0.009°
γ	90°
Cell volume	7750 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.1444
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for all reflections	0.1374
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
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.	4312187.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312187.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312187.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4312187.cif
3692	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312187 via cif-deposit CGI script.	4312187.cif