Information card for entry 4504384

Structure parameters

• Formula: C126 H87 Ag3 B F4 N3 O6 Se12
• Calculated formula: C126 H87 Ag3 B F4 N3 O6 Se12
• Title of publication: Assembly of Large Aromatic Selenoether Ligands into Cubic and Non-interpenetrated (10, 3)-aNets
• Authors of publication: Huang, Guo; Xu, Hanhui; Zhou, Xiao-Ping; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2542
• a: 24.1021 ± 0.0006 Å
• b: 24.1021 ± 0.0006 Å
• c: 24.1021 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14001.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No