Information card for entry 2214616

Structure parameters

• Chemical name: Hexakis{μ~2~-4-[2-(diisopropylamino)ethylamino]pent-3-en-2-onato- κ^3^N,<i>O</i>:<i>O</i>}tricalcium(II) hexane solvate
• Formula: C84 H164 Ca3 N12 O6
• Calculated formula: C84 H164 Ca3 N12 O6
• Title of publication: Hexakis{μ~2~-4-[2-(diisopropylamino)ethylamino]pent-3-en-2-onato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>}tricalcium(II) hexane solvate
• Authors of publication: P. Richard; M. Eleter; L. G. Hubert-Pfalzgraf; S. Daniele
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2049 - m2050
• a: 24.1444 ± 0.0003 Å
• b: 15.3089 ± 0.0002 Å
• c: 26.6679 ± 0.0005 Å
• α: 90°
• β: 107.132 ± 0.001°
• γ: 90°
• Cell volume: 9419.7 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes