Information card for entry 4081252

Structure parameters

• Common name: dicyclopentadienyldinickel[phenylethynyldimethylphenylsilane]tricarbonyl- chromium - 0,25 naphthalene
• Chemical name: tricarbonyl-1kappa3C-dicyclopentadienyl-2(eta5),3(eta5)-[mu3-dimethyl[phenyl- 1(eta6)](phenylethynyl-2kappa2C,C':3kappa2C,C')silane]-1-chromium(0)-2,3- bis[nickel(I)](Ni-Ni)-naphthalene (4/1)
• Formula: C63 H56 Cr2 Ni4 O6 Si2
• Calculated formula: C63 H56 Cr2 Ni4 O6 Si2
• Title of publication: Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands
• Authors of publication: Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4531
• a: 12.516 ± 0.0014 Å
• b: 13.9396 ± 0.0017 Å
• c: 18.172 ± 0.002 Å
• α: 97.025 ± 0.007°
• β: 104.083 ± 0.007°
• γ: 105.141 ± 0.007°
• Cell volume: 2909.3 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No