Crystallography Open Database

Information card for entry 7012199

Preview

Coordinates	7012199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H9 N5
Calculated formula	C17 H9 N5
SMILES	c1cnc(cn1)c1nc2c3cccc4cccc(c34)c2nn1
Title of publication	Ruthenium(ii) complexes containing asymmetric ligands: synthesis, characterization, crystal structure and DNA-binding
Authors of publication	Deng, Hong; Cai, Jiwen; Xu, Hong; Zhang, Hao; Ji, Liang-Nian
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	3
Pages of publication	325
a	11.133 ± 0.01 Å
b	26.01 ± 0.02 Å
c	13.574 ± 0.012 Å
α	90°
β	106.14 ± 0.016°
γ	90°
Cell volume	3776 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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