Information card for entry 1544057

Structure parameters

• Formula: C22 H20 N6 O12 Pb2
• Calculated formula: C22 H20 N6 O12 Pb2
• SMILES: [Pb]12(OC3C(=[O]2)O[Pb]2([O]=3)[n]3ccccc3c3[n]2cccc3)[n]2c(cccc2)c2[n]1cccc2.O=N(=O)[O-].O.O=N(=O)[O-].O
• Title of publication: Oxalato-bridged oligonuclear complexes of cadmium(II)/lead(II) with bipyridine coligands: Synthesis, crystal structure, electronic spectra, density functional theory calculation and effect of organic compounds on the fluorescence property
• Authors of publication: Apurba Bhunia; Ennio Zangrando; Soumen Mistri; Subal Chandra Manna
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 528 - 537
• a: 9.5444 ± 0.0001 Å
• b: 20.5956 ± 0.0003 Å
• c: 6.7449 ± 0.0001 Å
• α: 90°
• β: 91.819 ± 0.001°
• γ: 90°
• Cell volume: 1325.19 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No