Information card for entry 1500011

Structure parameters

• Formula: C24 H29 Cl2 Co N9 O12
• Calculated formula: C24 H18 Cl2 Co N9 O12
• SMILES: [Co]123([O]=C4N(C(=O)N(C)c5c4[n]1c(c(C)n5)C(C)=[N]2NC(=[O]3)c1ccccc1)C)([OH2])([N]#CC)[N]#CC.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity
• Authors of publication: Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito
• Journal of publication: Journal of Inorganic Biochemistry
• Year of publication: 2008
• Journal volume: 102
• Pages of publication: 1677 - 1683
• a: 14.9599 ± 0.0007 Å
• b: 19.0064 ± 0.0009 Å
• c: 23.4883 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6678.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No