Crystallography Open Database

Information card for entry 4314622

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Structure parameters

Formula	C30 H16 F6 N8 O2 Ru
Calculated formula	C30 H16 F6 N8 O2 Ru
SMILES	[Ru]1234([n]5ccccc5c5[n]1c(ccc5)C(=O)c1n2nc(c1)C(F)(F)F)[n]1ccccc1c1[n]3c(ccc1)C(=O)c1n4nc(c1)C(F)(F)F
Title of publication	New Series of Ruthenium(II) and Osmium(II) Complexes Showing Solid-State Phosphorescence in Far-Visible and Near-Infrared
Authors of publication	Jing-Lin Chen; Yun Chi; Kellen Chen; Yi-Ming Cheng; Min-Wen Chung; Ya-Chien Yu; Gene-Hsiang Lee; Pi-Tai Chou; Ching-Fong Shu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	823 - 832
a	9.7564 ± 0.0004 Å
b	12.2193 ± 0.0005 Å
c	23.9532 ± 0.001 Å
α	90°
β	100.349 ± 0.001°
γ	90°
Cell volume	2809.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0688
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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