Information card for entry 2225037

Structure parameters

• Chemical name: Bis{tris[3-(2-pyridyl)pyrazole]manganese(II)} dodecamolybdosilicate hexahydrate
• Formula: C48 H54 Mn2 Mo12 N18 O46 Si
• Calculated formula: C48 H54 Mn2 Mo12 N18 O46 Si
• Title of publication: Bis{tris[3-(2-pyridyl)pyrazole]manganese(II)} dodecamolybdosilicate hexahydrate
• Authors of publication: Niu, Bao-Hua; Li, Tao; Xi, Yan; Wu, Su-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m201
• a: 18.907 ± 0.004 Å
• b: 16.385 ± 0.003 Å
• c: 27.552 ± 0.006 Å
• α: 90°
• β: 105.09 ± 0.03°
• γ: 90°
• Cell volume: 8241 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes