Crystallography Open Database

Information card for entry 7039478

Preview

Coordinates	7039478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H47 Br N6 O4 Ru
Calculated formula	C60.5 H47 Br N6 O4 Ru
Title of publication	Azadipyrromethene cyclometalation in neutral Ru(II) complexes: photosensitizers with extended near-infrared absorption for solar energy conversion applications.
Authors of publication	Bessette, André; Cibian, Mihaela; Ferreira, Janaina G.; DiMarco, Brian N.; Bélanger, Francis; Désilets, Denis; Meyer, Gerald J.; Hanan, Garry S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10563 - 10576
a	12.207 ± 0.002 Å
b	13.408 ± 0.003 Å
c	16.302 ± 0.003 Å
α	73.36 ± 0.03°
β	70.9 ± 0.03°
γ	73.29 ± 0.03°
Cell volume	2359.7 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.3418 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185348 (current)	2016-08-07	cif/ Updating files of 7039476, 7039477, 7039478 Original log message: Adding full bibliography for 7039476--7039478.cif.	7039478.cif
183387	2016-06-11	cif/ Adding structures of 7039476, 7039477, 7039478 via cif-deposit CGI script.	7039478.cif