Information card for entry 7207631

Structure parameters

• Common name: aqua-4,4'-bipyridine-dilead(II) tetrabutyrate
• Chemical name: aqua-4,4'-bipyridine-dilead(II) tetrabutyrate
• Formula: C26 H38 N2 O9 Pb2
• Calculated formula: C26 H36 N2 O9 Pb2
• SMILES: c1cc(cc[n]1[Pb](OC(=O)CCC)OC(=O)CCC)c1cc[n](cc1)[Pb](OC(=O)CCC)OC(=O)CCC.O
• Title of publication: Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs
• Authors of publication: Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2660
• a: 19.45 ± 0.003 Å
• b: 20.139 ± 0.005 Å
• c: 8.06 ± 0.002 Å
• α: 90°
• β: 110.07 ± 0.03°
• γ: 90°
• Cell volume: 2965.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0538
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7379 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No