Information card for entry 7019267

Structure parameters

• Formula: C14 H49 B18 Co N2 O2
• Calculated formula: C11 H39 B18 Co N O2
• SMILES: [NH+](C)(C)C.[Co]12345678([C]9%10%11([CH]%12%131[BH]1%14%15[BH]%162%12[BH]2%121[BH]1%17%18[BH]%199([BH]%1421[BH]%11%13%15%19)[BH]5%10%17[BH]7%16%12%18)CCO)[CH]125[BH]79%10[C]%1131([BH]134[BH]4%128[BH]8%13%14[BH]27([BH]6548)[BH]2%10%14[BH]9%111[BH]3%12%132)CCO
• Title of publication: Direct and facile synthesis of carbon substituted alkylhydroxy derivatives of cobalt bis(1,2-dicarbollide), versatile building blocks for synthetic purposes.
• Authors of publication: Grüner, Bohumír; Svec, Petr; Sícha, Václav; Padělková, Zdeňka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7498 - 7512
• a: 14.237 ± 0.0009 Å
• b: 13.782 ± 0.0007 Å
• c: 13.679 ± 0.001 Å
• α: 90°
• β: 93.537 ± 0.007°
• γ: 90°
• Cell volume: 2678.9 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No