Information card for entry 4314479

Structure parameters

• Chemical name: N-(9-Bromo-7,12-dihydroindolo-[3,2-d][1]benzazepin-6-yliden)-N'- (1-pyridin-2-yl-methyliden)-azin-5-ide-dichlorido-copper(II) methanol solvate
• Formula: C88 H70 Br4 Cl8 Cu4 N20 O3
• Calculated formula: C88 H64 Br4 Cl8 Cu4 N20 O3
• 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: 12.7662 ± 0.0008 Å
• b: 13.5586 ± 0.0008 Å
• c: 13.1869 ± 0.0008 Å
• α: 90°
• β: 105.691 ± 0.004°
• γ: 90°
• Cell volume: 2197.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No