Information card for entry 7240086

Structure parameters

• Formula: C12 H10 N6 O7 Pb
• Calculated formula: C12 H10 N6 O7 Pb
• SMILES: [Pb]123([N](NC(=[O]1)c1ncccc1)=Cc1[n]3cccc1)(ON(=[O]2)=O)ON(=O)=O
• Title of publication: Supramolecular lead(II) architectures engineered by tetrel bonds
• Authors of publication: Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 17.2085 ± 0.0006 Å
• b: 12.9123 ± 0.0005 Å
• c: 7.4057 ± 0.0002 Å
• α: 90°
• β: 98.71 ± 0.002°
• γ: 90°
• Cell volume: 1626.58 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No