Information card for entry 7719778

Structure parameters

• Formula: C64 H80 Mg2 N4 O2
• Calculated formula: C64 H80 Mg2 N4 O2
• Title of publication: Magnesium catalyzed hydroamination of carbodiimides and hydroboration of cyanamides.
• Authors of publication: Das, Anubhab; Mukhopadhyay, Sayantan; Rajput, Sagrika; Nembenna, Sharanappa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 17553 - 17563
• a: 11.4339 ± 0.0002 Å
• b: 17.9921 ± 0.0002 Å
• c: 13.7145 ± 0.0002 Å
• α: 90°
• β: 100.161 ± 0.001°
• γ: 90°
• Cell volume: 2777.09 ± 0.07 ų
• Cell temperature: 99.98 ± 0.14 K
• Ambient diffraction temperature: 100.15 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: 0.0597
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No