Crystallography Open Database

Information card for entry 4331725

Preview

Coordinates	4331725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 I2 N6 O5 Ru
Calculated formula	C36 H32 I2 N6 O5 Ru
SMILES	[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1ccc(cc1c1[n]3ccc(c1)C(=O)OCC)C(=O)OCC.[I-].[I-].O
Title of publication	Static and Dynamic Quenching of Ru(II) Polypyridyl Excited States by Iodide
Authors of publication	Marton, Andras; Clark, Christopher C.; Srinivasan, Ramya; Freundlich, Robert E.; Narducci Sarjeant, Amy A.; Meyer, Gerald J.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	362 - 369
a	11.9326 ± 0.001 Å
b	23.378 ± 0.002 Å
c	13.2564 ± 0.0016 Å
α	90°
β	102.829 ± 0.009°
γ	90°
Cell volume	3605.7 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.1097
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331725.cif
97835	2014-01-29	cif/ Adding structures of 4331725, 4331726 via cif-deposit CGI script.	4331725.cif