Information card for entry 4508946

Structure parameters

• Formula: C8 H14 Cd Cl4 N2
• Calculated formula: C8 H14 Cd Cl4 N2
• SMILES: [Cd](Cl)(Cl)([Cl-])[Cl-].[nH+]1c(c([nH+]c(c1C)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: 6.3661 ± 0.0009 Å
• b: 14.371 ± 0.002 Å
• c: 15.157 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1386.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No