Information card for entry 4314480

Structure parameters

• Chemical name: 6-N-(2-N',N'-dimethylaminoethylenamino)-7,12-dihydroindolo- [3,2-d][1]benzazepino-dichlorido-copper(II)
• Formula: C20 H22 Cl2 Cu N4
• Calculated formula: C20 H22 Cl2 Cu N4
• SMILES: [Cu]1(Cl)(Cl)[N](=C2Nc3c(c4[nH]c5ccccc5c4C2)cccc3)CC[N]1(C)C
• Title of publication: Highly Cytotoxic Copper(II) Complexes with Modified Paullone Ligands
• Authors of publication: Michael F. Primik; Gerhard Mühlgassner; Michael A. Jakupec; Olivier Zava; Paul J. Dyson; Vladimir B. Arion; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 302 - 311
• a: 15.1349 ± 0.0009 Å
• b: 7.6083 ± 0.0005 Å
• c: 17.3917 ± 0.0011 Å
• α: 90°
• β: 101.579 ± 0.004°
• γ: 90°
• Cell volume: 1961.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No