Information card for entry 7050279

Structure parameters

• Common name: (Mn(IIMB)4(OH2)2)Cl2-5(H2O)
• Chemical name: [Mn(IIMB)4(OH2)2]Cl2-5(H2O)
• Formula: C52 H62 Cl2 Mn N16 O7
• Calculated formula: C52 H52 Cl2 Mn N16 O7
• Title of publication: Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts
• Authors of publication: Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 28.14 ± 0.03 Å
• b: 12.158 ± 0.011 Å
• c: 16.671 ± 0.014 Å
• α: 90°
• β: 103.24 ± 0.08°
• γ: 90°
• Cell volume: 5553 ± 9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No