Information card for entry 7012614

Structure parameters

• Formula: C52 H76 Cl12 Mn8 N6 O32
• Calculated formula: C52 H56 Cl12 Mn8 N6 O32
• Title of publication: Novel octanuclear and enneanuclear manganese clusters with carboxylate and pyrimidine ligands
• Authors of publication: Brechin, Euan K.; Christou, George; Soler, Monica; Helliwell, Madeleine; Teat, Simon J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 513
• a: 10.3843 ± 0.0008 Å
• b: 15.5276 ± 0.0012 Å
• c: 15.7421 ± 0.0012 Å
• α: 61.988 ± 0.002°
• β: 71.912 ± 0.002°
• γ: 79.64 ± 0.002°
• Cell volume: 2128.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.6881 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No