Information card for entry 7052337

Structure parameters

• Formula: C30 H44 N8 Pd
• Calculated formula: C30 H44 N8 Pd
• SMILES: C1(=[NH+]CC(CN1)(CCC)CCC)c1ccc(C2=[NH+]CC(CN2)(CCC)CCC)cc1.N#C[Pd](C#N)(C#N)C#N
• 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: 8.27 ± 0.0017 Å
• b: 9.5086 ± 0.0019 Å
• c: 10.937 ± 0.002 Å
• α: 70.1 ± 0.03°
• β: 85.07 ± 0.03°
• γ: 85.64 ± 0.03°
• Cell volume: 804.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No