Information card for entry 4302321

Structure parameters

• Formula: C22 H24 N14 O9 Pt
• Calculated formula: C22 H24 N14 O9 Pt
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)([n]1c2c(nc([nH]c2=O)N)n(c1)C)[n]1c2c(nc([nH]c2=O)N)n(c1)C.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Expanding the pH Range of Metal–Nucleobase Complexes for Acid–Base Chemistry: Properties of Bis(guanine) Complexes of (bpy)Pt^II^ with Either Two Major or Major and Minor Tautomers Bonded Simultaneously
• Authors of publication: Brandi-Blanco, Pilar; Sanz Miguel, Pablo J.; Müller, Barbara; Gil Bardají, Elisa; Willermann, Michael; Lippert, Bernhard
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5208 - 5215
• a: 15.2631 ± 0.0004 Å
• b: 12.0657 ± 0.0004 Å
• c: 15.5578 ± 0.0005 Å
• α: 90°
• β: 100.314 ± 0.002°
• γ: 90°
• Cell volume: 2818.83 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338550
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No