Information card for entry 7035163

Structure parameters

• Formula: C83 H111 Co2 F6 N20 O6 S2
• Calculated formula: C83 H111 Co2 F6 N20 O6 S2
• Title of publication: Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.
• Authors of publication: Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10377 - 10384
• a: 15.471 ± 0.004 Å
• b: 23.427 ± 0.006 Å
• c: 24.935 ± 0.007 Å
• α: 90°
• β: 101.761 ± 0.003°
• γ: 90°
• Cell volume: 8848 ± 4 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No