Information card for entry 7030437

Structure parameters

• Formula: C28 H44 Mn3 N10 O26 S2
• Calculated formula: C28 H43.264 Mn3 N10 O26 S2
• Title of publication: Mixed azide-carboxylate bridged tri- and tetranuclear Mn(II) clusters in coordination polymers derived from a zwitterionic dicarboxylate ligand: structures and magnetism.
• Authors of publication: Ma, Yu; Wang, Kun; Gao, En-Qing; Song, You
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 33
• Pages of publication: 7714 - 7722
• a: 9.6556 ± 0.0004 Å
• b: 10.6835 ± 0.0004 Å
• c: 12.175 ± 0.0004 Å
• α: 87.259 ± 0.001°
• β: 79.514 ± 0.001°
• γ: 67.412 ± 0.001°
• Cell volume: 1139.88 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No