Crystallography Open Database

Information card for entry 4307758

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Structure parameters

Formula	C25 H17 N5
Calculated formula	C25 H17 N5
SMILES	n1c(cc(cc1c1ncccc1)c1ncc(cn1)c1ccccc1)c1ncccc1
Title of publication	Ruthenium(II) Complexes with Improved Photophysical Properties Based on Planar 4'-(2-Pyrimidinyl)-2,2':6',2''-terpyridine Ligands
Authors of publication	Yuan-Qing Fang; Nicholas J. Taylor; François Laverdière; Garry S. Hanan; Frédérique Loiseau; Francesco Nastasi; Sebastiano Campagna; Hélène Nierengarten; Emmanuelle Leize-Wagner; Alain Van Dorsselaer
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2854 - 2863
a	6.1596 ± 0.0003 Å
b	19.6271 ± 0.001 Å
c	16.2744 ± 0.0009 Å
α	90°
β	96.674 ± 0.001°
γ	90°
Cell volume	1954.16 ± 0.18 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 K
Number of distinct elements	3
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	0.0855
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.246
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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