Information card for entry 4508950

Structure parameters

• Formula: C18 H30 Cd I4 N4
• Calculated formula: C18 H30 Cd I4 N4
• SMILES: c1(c(C)[n+](c(c(C)n1)C)C)C.I[Cd](I)([I-])[I-].c1(c(C)[n+](c(c(C)n1)C)C)C
• Title of publication: Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires
• Authors of publication: Lu, Jianjiang; Kochi, Jay K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 291
• a: 22.291 ± 0.009 Å
• b: 29.58 ± 0.012 Å
• c: 8.607 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5675 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No