Information card for entry 4317168

Structure parameters

• Chemical name: N-(7,12-dihydroindolo[3,2-d][1]benzazepin-6-yliden)-N'-(1-pyridin-2-yl- ethylidene)azine (HL^5b^)
• Formula: C23 H19 N5
• Calculated formula: C23 H19 N5
• SMILES: c1cccc2NC(Cc3c4ccccc4[nH]c3c12)=NN=C(c1ncccc1)C
• Title of publication: Structure-Activity Relationships of Highly Cytotoxic Copper(II) Complexes with Modified Indolo[3,2-c]quinoline Ligands
• Authors of publication: Michael F. Primik; Simone Göschl; Michael A. Jakupec; Alexander Roller; Bernhard K. Keppler; Vladimir B. Arion
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11084 - 11095
• a: 10.6889 ± 0.0007 Å
• b: 13.6296 ± 0.0011 Å
• c: 12.81 ± 0.0009 Å
• α: 90°
• β: 107.747 ± 0.004°
• γ: 90°
• Cell volume: 1777.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No