Information card for entry 2225135

Structure parameters

• Chemical name: Bis{tris[3-(2-pyridyl)-1<i>H</i>-pyrazole]nickel(II)} dodecamolybdosilicate tetrahydrate
• Formula: C48 H50 Mo12 N18 Ni2 O44 Si
• Calculated formula: C48 H42 Mo12 N18 Ni2 O44 Si
• Title of publication: Bis{tris[3-(2-pyridyl)-1<i>H</i>-pyrazole]nickel(II)} dodecamolybdosilicate tetrahydrate
• Authors of publication: Zhang, Xiutang; Yuan, Dong; Wei, Peihai; Li, Bin; Hu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m152 - m153
• a: 18.687 ± 0.004 Å
• b: 16.299 ± 0.003 Å
• c: 27.604 ± 0.006 Å
• α: 90°
• β: 104.1 ± 0.03°
• γ: 90°
• Cell volume: 8154 ± 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: 0.1283
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes