Information card for entry 7715486

Structure parameters

• Formula: C13 H31 B10 Cu N2
• Calculated formula: C13 H31 B10 Cu N2
• SMILES: [Cu](=C1N(C(=C(N1C(C)C)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: 17.6117 ± 0.0001 Å
• b: 13.295 ± 0.0001 Å
• c: 17.8699 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184.19 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No