Information card for entry 2012132

Structure parameters

• Chemical name: [3-Co{η^5^-(2,5-(CH~3~)~2~-NC~4~H~2~)}-1-CH~3~-1,2-C~2~B~9~H~10~]
• Formula: C9 H21 B9 Co N
• Calculated formula: C9 H21 B9 Co N
• SMILES: [Co]12345678([n]9c5([cH]4[cH]3[c]29C)C)[C]234([CH]591[BH]1%104[BH]4%113[BH]362[BH]268[BH]875[BH]59%10[BH]71%11[BH]432[BH]6857)C
• Title of publication: η^5^-(3)-1-Methyl-1,2-dicarbollyl-η^5^-2',5'-dimethylpyrrolylcobalt(III)
• Authors of publication: Sillanpää, Reijo; Llop, Jordi; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 900 - 901
• a: 8.163 ± 0.0011 Å
• b: 16.3957 ± 0.001 Å
• c: 11.5686 ± 0.0014 Å
• α: 90°
• β: 98.622 ± 0.011°
• γ: 90°
• Cell volume: 1530.8 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes