Crystallography Open Database

Information card for entry 7039477

Preview

Coordinates	7039477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H37 N5 O5 Ru
Calculated formula	C49 H37 N5 O5 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	15.6633 ± 0.0007 Å
b	24.01 ± 0.001 Å
c	21.6141 ± 0.001 Å
α	90°
β	104.679 ± 0.002°
γ	90°
Cell volume	7863.2 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.1045
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.215
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 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.	7039477.cif
183387	2016-06-11	cif/ Adding structures of 7039476, 7039477, 7039478 via cif-deposit CGI script.	7039477.cif