Information card for entry 7715481

Structure parameters

• Formula: C31 H52 B10 Mg N2
• Calculated formula: C31 H52 B10 Mg N2
• SMILES: [Mg]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671
• Title of publication: From alkaline earth to coinage metal carboranyls.
• Authors of publication: Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6653 - 6659
• a: 10.4591 ± 0.0002 Å
• b: 10.8125 ± 0.0003 Å
• c: 15.8411 ± 0.0005 Å
• α: 81.172 ± 0.002°
• β: 89.603 ± 0.002°
• γ: 88.36 ± 0.002°
• Cell volume: 1769.5 ± 0.08 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No