Information card for entry 2216615

Structure parameters

• Chemical name: [Hydridotris(pyrazol-1-yl)borato-κ^3^N,N',N''][5,10,15,20-tetrakis(4- methylphenyl)porphyrinato-κ^4^N,N',N'',N''']samarium(III) toluene 1.75-solvate
• Formula: C69.25 H60 B N10 Sm
• Calculated formula: C69.25 H60 B N10 Sm
• Title of publication: [Hydridotris(pyrazol-1-yl)borato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''][5,10,15,20-tetrakis(4-methylphenyl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']samarium(III) toluene 1.75-solvate
• Authors of publication: He, Hongshan; He, Guishan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2878 - m2878
• a: 16.621 ± 0.0002 Å
• b: 16.5696 ± 0.0002 Å
• c: 25.4414 ± 0.0003 Å
• α: 79.318 ± 0.001°
• β: 79.064 ± 0.001°
• γ: 61.248 ± 0.001°
• Cell volume: 5995.09 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes