Information card for entry 2221137

Structure parameters

• Chemical name: (1-Butyl-1,4-diazabicyclo[2.2.2]octon-1-ium-κN^4^)trichloridocobalt(II)
• Formula: C10 H21 Cl3 Co N2
• Calculated formula: C10 H21 Cl3 Co N2
• SMILES: [Co](Cl)(Cl)(Cl)[N]12CC[N+](CC1)(CC2)CCCC
• Title of publication: (1-Butyl-1,4-diazabicyclo[2.2.2]octon-1-ium-κ<i>N</i>^4^)trichloridocobalt(II)
• Authors of publication: Luachan, Sanchai; Yotnoi, Bunlawee; Prior, Timothy J.; Rujiwatra, Apinpus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m321 - m322
• a: 8.379 ± 0.002 Å
• b: 12.109 ± 0.0013 Å
• c: 14.711 ± 0.004 Å
• α: 90°
• β: 91.683 ± 0.004°
• γ: 90°
• Cell volume: 1492 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.6943 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes