Crystallography Open Database

Information card for entry 4329214

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Structure parameters

Formula	C48 H58 N2 O8 Ru2
Calculated formula	C48 H58 N2 O8 Ru2
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	12.089 ± 0.002 Å
b	28.812 ± 0.006 Å
c	14.424 ± 0.004 Å
α	90°
β	97.526 ± 0.019°
γ	90°
Cell volume	4980.7 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329214.cif
179395	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/92.	4329214.cif
78254	2013-04-01	cif/ Adding structures of 4329214 via cif-deposit CGI script.	4329214.cif