Crystallography Open Database

Information card for entry 4504758

Preview

Coordinates	4504758.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ruthenium polypyridyl complex
Formula	C69.5 H75 Cl4 N20 O14 Ru2
Calculated formula	C69.5 H63 Cl4 N20 O14 Ru2
Title of publication	Supramolecular Self-Assembled Ruthenium−Polypyridyl Framework Encapsulating Discrete Water Cluster
Authors of publication	Deshpande, Megha S.; Kumbhar, Avinash S.; Puranik, Vedavati G.; Selvaraj, K.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	3
Pages of publication	743
a	14.281 ± 0.0006 Å
b	21.734 ± 0.0008 Å
c	28.367 ± 0.001 Å
α	90°
β	109.804 ± 0.001°
γ	90°
Cell volume	8283.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	4504758.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504758.cif
47511	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504758 via cif-deposit CGI script.	4504758.cif