Information card for entry 7046277

Structure parameters

• Formula: C84 H126 B2 Mg2 N8 O4
• Calculated formula: C84 H126 B2 Mg2 N8 O4
• Title of publication: Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium
• Authors of publication: Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 23.0365 ± 0.0007 Å
• b: 19.3651 ± 0.0004 Å
• c: 21.5333 ± 0.0006 Å
• α: 90°
• β: 116.442 ± 0.004°
• γ: 90°
• Cell volume: 8601.2 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No