Information card for entry 7021108

Structure parameters

• Formula: C63 H128.5 Gd Mn7 N6.5 O34
• Calculated formula: C63 H123 Gd Mn7 N6.5 O34
• Title of publication: Octanuclear Mn(III)6Mn(II)Ln (Ln = Gd, Dy and Er) clusters with a novel core topology: syntheses, structures, and magnetic properties.
• Authors of publication: Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Cui, Hong-Hua; Liu, Jin-Ying; Song, Xiao-Wei; Chen, Chang-Neng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4908 - 4914
• a: 15.953 ± 0.003 Å
• b: 16.18 ± 0.003 Å
• c: 19.858 ± 0.004 Å
• α: 97.522 ± 0.002°
• β: 91.442 ± 0.002°
• γ: 117.355 ± 0.002°
• Cell volume: 4492.1 ± 1.5 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.039
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No