Information card for entry 4302304

Structure parameters

• Formula: C64 H84 Mn3 N32 O10
• Calculated formula: C64 H84 Mn3 N32 O10
• Title of publication: In Situ Ligand Transformation in the Synthesis of Manganese Complexes: Mono-, Tri- and a Barrel-shaped Tetradeca-nuclear Mn^II^~14~ Aggregate
• Authors of publication: Anwar, Muhammad Usman; Lan, Yanhua; Beltran, Lianne M. C.; Clérac, Rodolphe; Pfirrmann, Sven; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5177 - 5186
• a: 11.3977 ± 0.0005 Å
• b: 19.3147 ± 0.0009 Å
• c: 17.6692 ± 0.0008 Å
• α: 90°
• β: 103.559 ± 0.001°
• γ: 90°
• Cell volume: 3781.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0725
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338618
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No