Information card for entry 7208539

Structure parameters

• Formula: C10 H47.66667 Cl4 N11 O25.33333 Pd Pt
• Calculated formula: C10 H29 Cl4 N11 O25.3333 Pd Pt
• SMILES: c1nc2c([n](cn2C)[Pt]([NH3])([NH3])[NH3])c([n]1[Pd]12[NH2]CC[NH]1CC[NH2]2)N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O
• Title of publication: Unsupported single-walled water cluster nanotube: A novel hydrogen bonding pattern for water organization
• Authors of publication: Albertí, Francisca M.; Mihály, Tímea; Lippert, Bernhard; Miguel, Pablo J. Sanz
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6178
• a: 46.8185 ± 0.0015 Å
• b: 46.8185 ± 0.0015 Å
• c: 9.4253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17892.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No