Crystallography Open Database

Information card for entry 7705878

Preview

Coordinates	7705878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5
Calculated formula	C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5
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	53.215 ± 0.003 Å
b	12.7933 ± 0.0006 Å
c	21.3714 ± 0.0009 Å
α	90°
β	102.394 ± 0.0015°
γ	90°
Cell volume	14210.5 ± 1.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation probe	x-ray
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.	7705878.cif