Information card for entry 7059436

Structure parameters

• Formula: C48 H50 N8 O21 Se4 Zn4
• Calculated formula: C48 H50 N8 O21 Se4 Zn4
• Title of publication: Organically templated zinc selenite compounds: synthesis, structural chemistry and DFT calculations
• Authors of publication: Lunardi, Andressa; Nunes Cechin, Camila; Lang, Ernesto Schulz; Cargnelutti, Roberta; Ramirez Pineda, Nahum; Piquini, Paulo Cesar; Burrow, Robert Alan; Santos dos Santos, Sailer; Bortolotto, Tanize; Tirloni, Bárbara
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 6699 - 6703
• a: 8.4181 ± 0.0005 Å
• b: 13.0306 ± 0.0007 Å
• c: 13.701 ± 0.0008 Å
• α: 102.147 ± 0.002°
• β: 103.589 ± 0.002°
• γ: 91.969 ± 0.002°
• Cell volume: 1422.56 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No