Information card for entry 2020087

Structure parameters

• Chemical name: <i>meso</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)]
• Formula: C14 H32 B20 Co2
• Calculated formula: C14 H32 B20 Co2
• SMILES: [C]123([BH]456[Co]789%10%11%12%132([BH]2%141[BH]1%1534[BH]346[BH]657[BH]579[BH]98%14[BH]821[BH]1%153[CH]465[BH]7981)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[C]123[BH]456[Co]789%10%11%12%132([BH]2%141[BH]1%1534[BH]346[BH]657[BH]579[BH]98%14[BH]821[BH]1%153[CH]598[BH]4671)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131
• Title of publication: Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate
• Authors of publication: Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• a: 43.247 ± 0.005 Å
• b: 8.8497 ± 0.0009 Å
• c: 13.4476 ± 0.0014 Å
• α: 90°
• β: 90.104 ± 0.006°
• γ: 90°
• Cell volume: 5146.7 ± 1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes