Information card for entry 7242300

Structure parameters

• Formula: C60 H64 N24 O5 P4
• Calculated formula: C60 H64 N24 O5 P4
• Title of publication: Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives
• Authors of publication: Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 8178 - 8197
• a: 10.568 ± 0.002 Å
• b: 13.475 ± 0.003 Å
• c: 21.853 ± 0.004 Å
• α: 90°
• β: 92.35 ± 0.03°
• γ: 90°
• Cell volume: 3109.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No