Information card for entry 7008246

Structure parameters

• Formula: C13 H12 K N O0.5
• Calculated formula: C13 H12 K N O0.5
• Title of publication: Structural studies of group 1 metal 4-azapentalenyl complexes.
• Authors of publication: Bermingham, Michael J.; Cloke, F Geoffrey N; Gardiner, Michael G.; Hitchcock, Peter B.; Wise, Lauren E.; Yates, Brian F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 7
• Pages of publication: 1157 - 1158
• a: 17.6808 ± 0.0002 Å
• b: 10.2199 ± 0.0002 Å
• c: 12.4844 ± 0.0004 Å
• α: 90°
• β: 102.135 ± 0.001°
• γ: 90°
• Cell volume: 2205.47 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0921
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No