Information card for entry 7004899

Structure parameters

• Formula: C42 H104 Cl8 Mn8 O28
• Calculated formula: C42 H104 Cl8 Mn8 O28
• Title of publication: Syntheses, structure, and properties of a manganese-calcium cluster containing a Mn4Ca2 core.
• Authors of publication: Jerzykiewicz, Lucjan B.; Utko, Józef; Duczmal, Marek; Sobota, Piotr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 825 - 826
• a: 32.27 ± 0.011 Å
• b: 11.21 ± 0.005 Å
• c: 20.783 ± 0.006 Å
• α: 90°
• β: 103.22 ± 0.03°
• γ: 90°
• Cell volume: 7319 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No