Information card for entry 7011607

Structure parameters

• Chemical name: [Mn(L)2](SO4)× 16H2O (2)
• Formula: C42 H80 Mn N12 O20 S
• Calculated formula: C42 H66 Mn N12 O19.079 S
• Title of publication: Synthesis, structures and properties of two-dimensional honeycomb and stepwise networks from self-assembly of tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with metal salts
• Authors of publication: Fan, Jian; Sui, Bin; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3868 - 3873
• a: 11.7906 ± 0.0002 Å
• b: 20.4405 ± 0.0003 Å
• c: 24.3496 ± 0.0008 Å
• α: 90°
• β: 97.328 ± 0.002°
• γ: 90°
• Cell volume: 5820.5 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1103
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No