Information card for entry 7059435

Structure parameters

• Formula: C40 H54 N8 O23 Se4 Zn4
• Calculated formula: C40 H54 N8 O23 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: 9.6069 ± 0.0006 Å
• b: 12.3824 ± 0.0008 Å
• c: 12.6845 ± 0.0008 Å
• α: 100.648 ± 0.002°
• β: 107.253 ± 0.002°
• γ: 107.393 ± 0.002°
• Cell volume: 1311.77 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No