Information card for entry 7002017

Structure parameters

• Formula: C16 H24 Br2 N4
• Calculated formula: C16 H24 Br2 N4
• SMILES: c1[n+](c2cc3c(cc2n1CC)[n+](cn3CC)CC)CC.[Br-].[Br-]
• Title of publication: Supramolecular structures from mono and dimetalated biscarbene ligands
• Authors of publication: Radloff, Christian; Hahn, F. Ekkehardt; Pape, Tania; Fröhlich, Roland
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7215
• a: 5.1257 ± 0.0007 Å
• b: 14.067 ± 0.002 Å
• c: 12.8338 ± 0.0018 Å
• α: 90°
• β: 100.602 ± 0.008°
• γ: 90°
• Cell volume: 909.6 ± 0.2 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: 0.1505
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No