Information card for entry 7717880

Structure parameters

• Formula: C48 H84 Cl2 N6 O14 P4
• Calculated formula: C48 H84 Cl2 N6 O14 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: 14.2255 ± 0.0007 Å
• b: 15.0529 ± 0.0007 Å
• c: 15.8213 ± 0.0008 Å
• α: 94.818 ± 0.004°
• β: 99.23 ± 0.004°
• γ: 115.342 ± 0.004°
• Cell volume: 2977.7 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.1019
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No