Information card for entry 4314476

Structure parameters

• Chemical name: 9-Bromo-6-N-(2-N',N'-dimethylamino)-7,12-dihydroindolo[3,2-d][1] benzazepino-dichlorido-copper(II)
• Formula: C20 H21 Br Cl2 Cu N4
• Calculated formula: C20 H21 Br Cl2 Cu N4
• SMILES: Brc1ccc2[nH]c3c4ccccc4NC(=[N]4[Cu](Cl)(Cl)[N](CC4)(C)C)Cc3c2c1
• 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: 10.1511 ± 0.0005 Å
• b: 10.8098 ± 0.0006 Å
• c: 11.7944 ± 0.0009 Å
• α: 113.613 ± 0.004°
• β: 93.568 ± 0.004°
• γ: 115.547 ± 0.003°
• Cell volume: 1025.79 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No