Information card for entry 7717878

Structure parameters

• Formula: C36 H62 N6 O4 P4
• Calculated formula: C36 H62 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: 9.4064 ± 0.0005 Å
• b: 9.6314 ± 0.0006 Å
• c: 12.6177 ± 0.0007 Å
• α: 74.121 ± 0.005°
• β: 82.724 ± 0.005°
• γ: 83.213 ± 0.005°
• Cell volume: 1086.46 ± 0.11 ų
• Cell temperature: 250.01 ± 0.1 K
• Ambient diffraction temperature: 250.01 ± 0.1 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: 0.1129
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No