Information card for entry 4342727

Structure parameters

• Formula: C18 H41 B18 Co N2 O2
• Calculated formula: C18 H41 B18 Co N2 O2
• SMILES: [Co]12345678([C]9%10%11([CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[BH]294[BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]943%12)C12c3ccccc3C(=O)N1CCCO2)[CH]123[CH]495[BH]5%103[BH]3%112[BH]261[BH]168[BH]874[BH]49%10[BH]75%11[BH]321[BH]6847.C[NH+](C)C
• Title of publication: The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)).
• Authors of publication: Grüner, Bohumír; Šícha, Václav; Hnyk, Drahomír; Londesborough, Michael G. S.; Císařová, Ivana
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3148 - 3158
• a: 9.471 ± 0.0002 Å
• b: 24.1214 ± 0.0004 Å
• c: 28.5697 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6526.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No