Information card for entry 7717877

Structure parameters

• Formula: C28 H80 B6 Cl4 N6 O4 P4
• Calculated formula: C28 H80 B6 Cl4 N6 O4 P4
• 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: 9.4889 ± 0.0007 Å
• b: 17.3728 ± 0.0011 Å
• c: 16.2634 ± 0.001 Å
• α: 90°
• β: 93.963 ± 0.006°
• γ: 90°
• Cell volume: 2674.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No