Information card for entry 7715483

Structure parameters

• Formula: C35 H60 B10 Ca N2 O
• Calculated formula: C35 H60 B10 Ca N2 O
• 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: 17.214 ± 0.0002 Å
• b: 13.088 ± 0.0002 Å
• c: 18.465 ± 0.0003 Å
• α: 90°
• β: 103.181 ± 0.001°
• γ: 90°
• Cell volume: 4050.51 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No