Information card for entry 7026659

Structure parameters

• Common name: cis-diamine(2-((furfurylamino)(pyridin-2-yl)methyl)-3-hydroxy- 1,4-naphthoquinonato-N1,N2)platinum(ii) nitrate
• Chemical name: cis-diamine{2-[(furfurylamino)(pyridin-2-yl)methyl]-3-hydroxy- 1,4-naphthoquinonato-N1,N2}platinum(II) nitrate
• Formula: C21 H28 N5 O10.5 Pt
• Calculated formula: C21 H28 N5 O10.5 Pt
• SMILES: [Pt]1([n]2c(cccc2)C([NH]1Cc1occc1)C1C(=O)c2ccccc2C(=O)C=1[O-])([NH3])[NH3].N(=O)(=O)[O-].O.O.O.O
• Title of publication: Novel platinum(II) complexes of 3-(aminomethyl)naphthoquinone Mannich bases: synthesis, crystal structure and cytotoxic activities.
• Authors of publication: Neves, Amanda P.; da Silva, Gustavo B.; Vargas, Maria D.; Pinheiro, Carlos B.; Visentin, Lorenzo do C; Filho, José D B M; Araújo, Ana J; Costa-Lotufo, Letícia V; Pessoa, Cláudia; de Moraes, Manoel O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10203 - 10216
• a: 31.7768 ± 0.0012 Å
• b: 9.4926 ± 0.0002 Å
• c: 19.6173 ± 0.0014 Å
• α: 90°
• β: 122.01°
• γ: 90°
• Cell volume: 5017.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No