Information card for entry 4308842

Structure parameters

• Chemical name: [Mn(titmb)(N3)2]-1.5(H2O)
• Formula: C21 H27 Mn N12 O1.5
• Calculated formula: C21 H27 Mn N12 O1.5
• Title of publication: Syntheses, Crystal Structures, and Magnetic Properties of Novel Manganese(II) Complexes with Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene
• Authors of publication: Wei Zhao; You Song; Taka-aki Okamura; Jian Fan; Wei-Yin Sun; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3330 - 3336
• a: 20.956 ± 0.013 Å
• b: 9.884 ± 0.006 Å
• c: 24.318 ± 0.014 Å
• α: 90°
• β: 95.87 ± 0.05°
• γ: 90°
• Cell volume: 5011 ± 5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No