Information card for entry 3500005

Structure parameters

• Formula: C22 H25 N14 O9.75 Pd Pt
• Calculated formula: C22 H25 N14 O9.75 Pd Pt
• SMILES: [O-]N(=O)=O.O=c1ccn([Pd]2([n]3cccc4c3c3[n]2cccc3cc4)n2ccc(=O)n3c2[n]2cn3)c3n1nc[n]3[Pt]2([NH3])[NH3].[O-]N(=O)=O.O.O.O
• Authors of publication: Mohammad Abul Haj; Miguel Quirós; Juan M. Salas
• Journal of publication: Personal communication to COD
• Year of publication: 2011
• a: 26.13 ± 0.003 Å
• b: 16.618 ± 0.002 Å
• c: 9.5517 ± 0.001 Å
• α: 90°
• β: 102.083 ± 0.009°
• γ: 90°
• Cell volume: 4055.7 ± 0.8 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1823
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.2492
• Weighted residual factors for all reflections included in the refinement: 0.3005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes