Information card for entry 2212676

Structure parameters

• Chemical name: (1-ferrocenylbutane-1,3-dionato)[tris(2-aminoethyl)amine]cobalt(II) chloride tetraphenylborate acetone solvate,
• Formula: C47 H57 B Cl Co Fe N4 O3
• Calculated formula: C47 H57 B Cl Co Fe N4 O3
• Title of publication: (1-Ferrocenylbutane-1,3-dionato)[tris(2-aminoethyl)amine]cobalt(II) chloride tetraphenylborate acetone solvate
• Authors of publication: Yan, Chao-Guo; Liu, Li; Han, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m683 - m684
• a: 15.0945 ± 0.0003 Å
• b: 12.0255 ± 0.0003 Å
• c: 25.4724 ± 0.0005 Å
• α: 90°
• β: 98.463 ± 0.001°
• γ: 90°
• Cell volume: 4573.38 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes