Information card for entry 7002018

Structure parameters

• Formula: C24 H40 Br2 N4
• Calculated formula: C24 H40 Br2 N4
• SMILES: c1[n+](c2cc3c(cc2n1CCCC)[n+](cn3CCCC)CCCC)CCCC.[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: 29.972 ± 0.004 Å
• b: 29.972 ± 0.004 Å
• c: 8.656 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6734 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No