Crystallography Open Database

Information card for entry 4329215

Preview

Coordinates	4329215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127.5 H139.5 Cl46.5 N4 O16 Ru4
Calculated formula	C127.5 H139.5 Cl46.5 N4 O16 Ru4
Title of publication	Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures
Authors of publication	Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5795 - 5804
a	24.8929 ± 0.001 Å
b	27.2133 ± 0.0008 Å
c	28.4169 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	19250.1 ± 1.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2194
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.2447
Goodness-of-fit parameter for all reflections included in the refinement	0.802
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
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.	4329215.cif
78255	2013-04-01	cif/ Adding structures of 4329215 via cif-deposit CGI script.	4329215.cif