Information card for entry 7201708

Structure parameters

• Formula: C255 H88 Cl17 N33 Pb3
• Calculated formula: C55 H88 Cl17 N33 Pb3
• SMILES: c1(cccc([nH+]1)N)N.c1(N)[nH+]c(ccc1)N.c1(cccc([nH+]1)N)N.c1(cccc([nH+]1)N)N.c1(cccc([nH+]1)N)N.c1(N)[nH+]c(ccc1)N.Cl[Pb](Cl)([Cl-])([Cl-])([Cl-])[Cl-].Cl[Pb]1(Cl)(Cl)(Cl)[Cl][Pb](Cl)(Cl)(Cl)(Cl)[Cl]1.c1(cccc([nH+]1)N)N.c1(cccc([nH+]1)N)N.c1(cccc([nH+]1)N)N.c1(cccc([nH+]1)N)N.c1(cccc([nH+]1)N)N.[Cl-]
• 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: 13.7786 ± 0.0006 Å
• b: 34.1194 ± 0.0014 Å
• c: 18.7021 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8792.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No