Information card for entry 7116948

Structure parameters

• Formula: C12 H30 B24
• Calculated formula: C12 H30 B24
• SMILES: c1(cc(cc(c1)[C]123[BH]456[BH]781[BH]192[BH]234[BH]345[CH]5%10[BH]673[BH]815[BH]924%10)[C]123[BH]456[BH]781[BH]192[BH]234[BH]345[CH]5%10[BH]673[BH]815[BH]924%10)[C]123[BH]456[BH]781[BH]192[BH]234[BH]345[CH]5%10[BH]673[BH]815[BH]924%10
• Title of publication: Stabilization of a highly porous metal-organic framework utilizing a carborane-based linker.
• Authors of publication: Clingerman, Daniel J.; Morris, William; Mondloch, Joseph E.; Kennedy, Robert D.; Sarjeant, Amy A.; Stern, Charlotte; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 30
• Pages of publication: 6521 - 6523
• a: 11.9932 ± 0.0007 Å
• b: 19.6594 ± 0.001 Å
• c: 12.4615 ± 0.0006 Å
• α: 90°
• β: 118.684 ± 0.003°
• γ: 90°
• Cell volume: 2577.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No