Information card for entry 7032849

Structure parameters

• Formula: C12 H13 N7 O5 Pb
• Calculated formula: C12 H13 N7 O5 Pb
• SMILES: [Pb]12(OC(=O)c3[n]1ccnc3N)[n]1c(C(=O)O2)c(ncc1)N.C(=O)NC
• Title of publication: Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.
• Authors of publication: Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 268 - 280
• a: 7.6487 ± 0.0005 Å
• b: 12.27 ± 0.0007 Å
• c: 18.3447 ± 0.0012 Å
• α: 81.365 ± 0.002°
• β: 87.259 ± 0.002°
• γ: 73.959 ± 0.002°
• Cell volume: 1635.82 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No