Information card for entry 7245135

Structure parameters

• Formula: C23 H16 Co2 O9
• Calculated formula: C23 H16 Co2 O9
• SMILES: [Co]12([Co]3([C]1(c1ccc(OC)cc1)=[C]23c1cc(OC)cc(OC)c1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: An organometallic analogue of combretastatin A-4 and its apoptosis-inducing effects on lymphoma, leukemia and other tumor cells in vitro
• Authors of publication: Abodo Onambele, Liliane; Hoffmann, Natalie; Kater, Lisa; Hemmersbach, Lars; Neudörfl, Jörg-Martin; Sitnikov, Nikolay; Kater, Benjamin; Frias, Corazon; Schmalz, Hans Günther; Prokop, Aram
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2022
• a: 8.356 ± 0.003 Å
• b: 11.05 ± 0.005 Å
• c: 13.47 ± 0.005 Å
• α: 85.039 ± 0.015°
• β: 72.36 ± 0.02°
• γ: 86.48 ± 0.03°
• Cell volume: 1180 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No