Information card for entry 7006184

Structure parameters

• Formula: C18 H22 N18 O13 Pt
• Calculated formula: C18 H22 N18 O13 Pt
• SMILES: [Pt]([n]1c2nc[nH]c(c2[nH+]c1)N)([n]1c2nc[nH]c(c2[nH+]c1)N)([n]1ccncc1)[n]1ccncc1.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Synthesis and NMR characterization of the cis and trans isomers of [Pt(II)(N9-adeH)2(pz)2] and X-ray crystallography of the trans isomer.
• Authors of publication: Klika, Karel D.; Kivelä, Henri; Ovcharenko, Vladimir V.; Nieminen, Ville; Sillanpää, Reijo; Arpalahti, Jorma
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3966 - 3970
• a: 10.8863 ± 0.0002 Å
• b: 11.0417 ± 0.0003 Å
• c: 24.5202 ± 0.0007 Å
• α: 90°
• β: 95.512 ± 0.002°
• γ: 90°
• Cell volume: 2933.78 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No