Information card for entry 2217905

Structure parameters

• Chemical name: Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(L-phenylalaninato- κ^2^<i>O</i>,<i>O</i>')lead(II) nitrate
• Formula: C18 H26 N4 O12 Pb
• Calculated formula: C18 H26 N4 O12 Pb
• SMILES: [Pb]123(OC(=[O]1)[C@@H]([NH3+])Cc1ccccc1)(OC(=[O]2)[C@@H]([NH3+])Cc1ccccc1)([OH2])([OH2])[O]=N(O3)=O.N(=O)(=O)[O-]
• Title of publication: Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-phenylalaninato-κ^2^<i>O</i>,<i>O</i>')lead(II) nitrate
• Authors of publication: Bernès, Sylvain; Gasque, Laura
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m566 - m567
• a: 5.3851 ± 0.0009 Å
• b: 13.5599 ± 0.0017 Å
• c: 34.235 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499.9 ± 0.6 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 1 kPa
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes