Information card for entry 7201704

Structure parameters

• Formula: C20 H38 Cl6 N4 O Pb
• Calculated formula: C20 H38 Cl6 N4 O Pb
• SMILES: [Pb](Cl)(Cl)([Cl-])([Cl-])([Cl-])[Cl-].[NH3+]c1ccc([NH+](CC)CC)cc1.[NH3+]c1ccc([NH+](CC)CC)cc1.O
• Title of publication: Inorganic‒organic hybrid salts of diaminobenzenes and related cations
• Authors of publication: Dobrzycki, Lukasz; Woźniak, Krzysztof
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 577
• a: 12.2479 ± 0.0003 Å
• b: 11.372 ± 0.0003 Å
• c: 20.7255 ± 0.0004 Å
• α: 90°
• β: 90.632 ± 0.002°
• γ: 90°
• Cell volume: 2886.54 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0146
• Residual factor for significantly intense reflections: 0.0109
• Weighted residual factors for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections included in the refinement: 0.0244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No