Information card for entry 7023706

Structure parameters

• Formula: C20 H32 Br2 N4
• Calculated formula: C20 H32 Br2 N4
• SMILES: c12n(CCC)c[n+](c1cc1c(c2)[n+](cn1CCC)CCC)CCC.[Br-].[Br-]
• Title of publication: Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.
• Authors of publication: Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16128 - 16141
• a: 10.4538 ± 0.0006 Å
• b: 10.1708 ± 0.0006 Å
• c: 11.0501 ± 0.0007 Å
• α: 90°
• β: 105.582 ± 0.004°
• γ: 90°
• Cell volume: 1131.7 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No