Information card for entry 7717879

Structure parameters

• Formula: C48 H62 D12 N6 O4 P4 Se4
• Calculated formula: C48 H62 D12 N6 O4 P4 Se4
• Title of publication: Reactions of chalcogens and borane with phosphazane macrocycles assembled from diethanolamine and P₂N₂ building blocks.
• Authors of publication: Goyal, Manu; Negi, Chandrakala; Garg, Nitish Kumar; Jain, Shalender; Singh, Sanjay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4089 - 4095
• a: 13.0929 ± 0.0008 Å
• b: 13.8043 ± 0.0007 Å
• c: 16.9771 ± 0.0013 Å
• α: 90°
• β: 111.913 ± 0.008°
• γ: 90°
• Cell volume: 2846.7 ± 0.4 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No