Information card for entry 7107347

Structure parameters

• Formula: C60 H88 Ni2 P2 Si2
• Calculated formula: C60 H88 Ni2 P2 Si2
• SMILES: c1c([Si]23([Ni]45([H][Si]5(c5ccccc5)(c5ccccc5)[Ni]34([H]2)[P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)c2ccccc2)cccc1
• Title of publication: Reaction of alkyne with dinickel-diphenylsilyl complexes. Preparation of an emissive disilane via consecutive Si-C and Si-Si bond-making reactions
• Authors of publication: Makoto Tanabe; Ryouhei Yumoto; Kohtaro Osakada
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2125
• a: 10.2283 ± 0.0018 Å
• b: 13.576 ± 0.003 Å
• c: 20.026 ± 0.004 Å
• α: 90°
• β: 91.961 ± 0.003°
• γ: 90°
• Cell volume: 2779.2 ± 1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• 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: 0.1376
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No