Crystallography Open Database

Information card for entry 4347646

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Coordinates	4347646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H36 F12 N8 P2 Ru
Calculated formula	C50 H36 F12 N8 P2 Ru
Title of publication	Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.
Authors of publication	Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5405 - 5416
a	12.6873 ± 0.0004 Å
b	15.5411 ± 0.0004 Å
c	46.6493 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	9198.1 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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