Crystallography Open Database

Information card for entry 7024185

Preview

Coordinates	7024185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H54 N6 O4 Ru
Calculated formula	C52 H32 N6 O4 Ru
Title of publication	Chromophoric dipyrrin complexes capable of binding to TiO2: synthesis, structure and spectroscopy.
Authors of publication	Hall, Jeremy D.; McLean, Tracey M.; Smalley, Serena J.; Waterland, Mark R.; Telfer, Shane G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	437 - 445
a	12.4091 ± 0.0012 Å
b	10.8412 ± 0.0008 Å
c	33.848 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4553.6 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.1215
Weighted residual factors for significantly intense reflections	0.2716
Weighted residual factors for all reflections included in the refinement	0.2901
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179946 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41.	7024185.cif
92255	2014-01-12	cif/ Adding structures of 7024185, 7024186, 7024187, 7024188 via cif-deposit CGI script.	7024185.cif