Crystallography Open Database

Information card for entry 1556613

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Coordinates	1556613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 N2
Calculated formula	C28 H16 N2
SMILES	c1(c2ccccc2c(c2ccccc12)C#Cc1cccnc1)C#Cc1cccnc1
Title of publication	Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Application
Authors of publication	Gaschard, M.; Nehzat, F.; Cheminel, T.; Therrien, B.
Journal of publication	Inorganics
Year of publication	2018
Journal volume	6
Pages of publication	97
a	5.0015 ± 0.0006 Å
b	16.944 ± 0.002 Å
c	11.5374 ± 0.0015 Å
α	90°
β	92.433 ± 0.01°
γ	90°
Cell volume	976.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2449
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.2388
Goodness-of-fit parameter for all reflections included in the refinement	0.805
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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