Crystallography Open Database

Information card for entry 7705877

Preview

Coordinates	7705877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H42 Cl9 F6 N6 O4 P Ru
Calculated formula	C51 H42 Cl9 F6 N6 O4 P Ru
Title of publication	Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.
Authors of publication	Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	46
Pages of publication	16935 - 16945
a	16.43 ± 0.0007 Å
b	17.9246 ± 0.0009 Å
c	19.3808 ± 0.0007 Å
α	83.218 ± 0.002°
β	85.892 ± 0.002°
γ	79.659 ± 0.002°
Cell volume	5568.2 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1621
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.2179
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
259694 (current)	2020-12-09	cif/ Adding structures of 7705876, 7705877, 7705878 via cif-deposit CGI script.	7705877.cif