Information card for entry 4074009

Structure parameters

• Chemical name: N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-yliden-N'- 2-hydroxybenzylidene)azinium nitrate methanol solvate
• Formula: C24 H22 Br N5 O5
• Calculated formula: C24 H22 Br N5 O5
• SMILES: Brc1ccc2[nH]c3c4ccccc4[NH+]=C(NN=Cc4ccccc4O)Cc3c2c1.OC.O=N(=O)[O-]
• Title of publication: Highly Antiproliferative Ruthenium(II) and Osmium(II) Arene Complexes with Paullone-Derived Ligands
• Authors of publication: Schmid, Wolfgang F.; John, Roland O.; Arion, Vladimir B.; Jakupec, Michael A.; Keppler, Bernhard K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6643
• a: 9.0821 ± 0.0008 Å
• b: 10.9265 ± 0.0009 Å
• c: 12.4005 ± 0.0012 Å
• α: 71.806 ± 0.006°
• β: 76.42 ± 0.006°
• γ: 88.703 ± 0.006°
• Cell volume: 1134.65 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No