Information card for entry 2238043

Structure parameters

• Chemical name: Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium} tetracyanidoplatinate(II) tetrahydrate
• Formula: C40 H36 N14 O4 Pt
• Calculated formula: C40 H36 N14 O4 Pt
• SMILES: c1(c2ccccn2)[nH]c(c(n1)c1[nH+]cccc1)c1ncccc1.N#C[Pt](C#N)(C#N)C#N.O.O.c1(c2ccccn2)[nH]c(c(n1)c1[nH+]cccc1)c1ncccc1.O.O
• Title of publication: Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium} tetracyanidoplatinate(II) tetrahydrate
• Authors of publication: Gámez-Heredia, Raquel; Navarro, Rosa E.; Höpfl, Herbert; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m300 - m301
• a: 20.958 ± 0.005 Å
• b: 12.048 ± 0.003 Å
• c: 15.403 ± 0.003 Å
• α: 90°
• β: 95.483 ± 0.003°
• γ: 90°
• Cell volume: 3871.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes