Information card for entry 7719777

Structure parameters

• Formula: C64 H82 Mg2 N6
• Calculated formula: C64 H82 Mg2 N6
• 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: 13.3229 ± 0.0001 Å
• b: 21.2795 ± 0.0001 Å
• c: 21.3755 ± 0.0001 Å
• α: 96.906 ± 0.001°
• β: 105.667 ± 0.001°
• γ: 98.937 ± 0.001°
• Cell volume: 5679.65 ± 0.07 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No