Information card for entry 7052335

Structure parameters

• Formula: C26 H48 Cl2 N4 O2
• Calculated formula: C26 H48 Cl2 N4 O2
• SMILES: C1(=[NH+]CC(CN1)(CCC)CCC)c1ccc(cc1)C1=[NH+]CC(CN1)(CCC)CCC.[Cl-].[Cl-].O.O
• Title of publication: Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions
• Authors of publication: Dechambenoit, Pierre; Ferlay, Sylvie; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 1403
• a: 9.1738 ± 0.0006 Å
• b: 9.4718 ± 0.0006 Å
• c: 17.6898 ± 0.0013 Å
• α: 100.914 ± 0.003°
• β: 92.932 ± 0.004°
• γ: 103.963 ± 0.004°
• Cell volume: 1457.13 ± 0.17 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: 0.1199
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No