Information card for entry 4504472

Structure parameters

• Formula: C24 H34 N8 O10 Se
• Calculated formula: C24 H34 N8 O10 Se
• SMILES: [Se](=O)(=O)([O-])[O-].O.O.O.O.O.O.Nc1c(N)cc2nc3ccccc3[nH+]c2c1.Nc1c(N)cc2nc3ccccc3[nH+]c2c1
• Title of publication: A Simple Strategy for Crystal Engineering Water Clusters
• Authors of publication: Sansam, Benedict C. R.; Anderson, Kirsty M.; Steed, Jonathan W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2649
• a: 11.1428 ± 0.0015 Å
• b: 11.8561 ± 0.0016 Å
• c: 12.5867 ± 0.0017 Å
• α: 78.65 ± 0.004°
• β: 70.04 ± 0.004°
• γ: 63.599 ± 0.004°
• Cell volume: 1397.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.187
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No