Information card for entry 4326086

Structure parameters

• Formula: C87 H72.5 Cl3 Mn5 N26.5 O14.5
• Calculated formula: C87 H72.5 Cl3 Mn5 N26.5 O14.5
• Title of publication: Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular {MnII2MnIII(μ3-O)}5+ or {MnIIMnIII2(μ3-O)}6+ Core Wrapped by Two {MnII2(bpp)3}-
• Authors of publication: Sophie Romain; Jordi Rich; Cristina Sens; Thibaut Stoll; Jordi Benet-Buchholz; Antoni Llobet; Montserrat Rodriguez; Isabel Romero; Rodolphe Clérac; Corine Mathonière; Carole Duboc; Alain Deronzier; Marie-Noëlle Collomb
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8427 - 8436
• a: 15.4109 ± 0.0007 Å
• b: 22.591 ± 0.001 Å
• c: 26.9272 ± 0.0011 Å
• α: 90°
• β: 101.913 ± 0.001°
• γ: 90°
• Cell volume: 9172.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No