Information card for entry 2217981

Structure parameters

• Common name: {[Dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl}galla[1]ferrocenophane
• Chemical name: {[dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl-κ^2^C,N}(ferrocene-1,1'- diyl)gallium(III)
• Formula: C24 H36 Fe Ga N Si3
• Calculated formula: C24 H36 Fe Ga N Si3
• SMILES: [Fe]23456789%10[c]1([cH]2[cH]3[cH]4[cH]51)[Ga]%11([n]%12ccccc%12[Si](C%11([Si](C)(C)C)[Si](C)(C)C)(C)C)[c]16[cH]7[cH]8[cH]9[cH]%101
• Title of publication: The galla[1]ferrocenophane {[dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl-κ^2^<i>C</i>,<i>N</i>}(ferrocene-1,1'-diyl)gallium(III)
• Authors of publication: Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m517
• a: 9.6463 ± 0.0001 Å
• b: 35.2258 ± 0.0004 Å
• c: 15.4862 ± 0.0002 Å
• α: 90°
• β: 92.5212 ± 0.0007°
• γ: 90°
• Cell volume: 5257.1 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes