Information card for entry 2312022

Structure parameters

• Chemical name: 4-Dimethylaminopyridinium dimethylammonium tetrachloridolead(II)
• Formula: C9 H19 Cl4 N3 Pb
• Calculated formula: C9 H19 Cl4 N3 Pb
• SMILES: C[NH2+]C.c1cc(N(C)C)cc[nH+]1.C[NH2+]C.c1cc(N(C)C)cc[nH+]1.[Pb]1(Cl)(Cl)[Cl][Pb](Cl)(Cl)([Cl]1)(Cl)Cl
• Title of publication: Hybrid organic-inorganic crystal structure of 4-(di-methyl-amino)-pyridinium di-methyl-ammonium tetra-chlorido-lead(II).
• Authors of publication: Benson, Cassidy A.; Bateman, Gage; Cox, Jordan M.; Benedict, Jason B.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1670 - 1673
• a: 11.0965 ± 0.0011 Å
• b: 19.12 ± 0.002 Å
• c: 7.5453 ± 0.0008 Å
• α: 90°
• β: 91.0813 ± 0.0019°
• γ: 90°
• Cell volume: 1600.6 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0136
• Residual factor for significantly intense reflections: 0.013
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes