Information card for entry 1505042

Structure parameters

• Chemical name: (hapto^6^-p-Cymene){9-nitro-6-[(alpha-picolyl-kappaN)imino-kappaN]-7,12- dihydroindolo[3,2-d][1]benzazepine}chloroosmium(II) chloride ethanol water solvate
• Formula: C35.9 H42.95 Cl2 N5 O4.08 Os
• Calculated formula: C35.9 H41.75 Cl2 N5 O4.2 Os
• Title of publication: Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
• Authors of publication: Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2007
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 6343 - 6355
• a: 12.2836 ± 0.0004 Å
• b: 12.6756 ± 0.0004 Å
• c: 14.2592 ± 0.0006 Å
• α: 95.491 ± 0.002°
• β: 107.998 ± 0.002°
• γ: 118.072 ± 0.002°
• Cell volume: 1784.59 ± 0.12 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: 0.0373
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No