Information card for entry 7102270

Structure parameters

• Formula: C18 H20 N8 O2 Pt
• Calculated formula: C18 H20 N8 O2 Pt
• SMILES: C1(c2ccc(C3=[NH+]CC(CN3)O)cc2)=[NH+]CC(CN1)O.[Pt](C#N)(C#N)(C#N)C#N
• Title of publication: Molecular tectonics: polymorphism and enhancement of network dimensionality by a combination of primary and secondary hydrogen bond sites.
• Authors of publication: Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Kyritsakas, Nathalie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 4626 - 4628
• a: 4.6482 ± 0.0002 Å
• b: 10.4381 ± 0.0005 Å
• c: 10.8458 ± 0.0004 Å
• α: 111.019 ± 0.001°
• β: 99.3081 ± 0.001°
• γ: 88.85 ± 0.002°
• Cell volume: 484.32 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No