Information card for entry 4081254

Structure parameters

• Common name: cyclopentadienylcobalt[3,4-diphenyl-1,2-bis(phenyldimethylsilyl)- cyclobutadiene]chromium
• Chemical name: 2(eta5)-cyclopentadienyl-{mu-3,4-diphenyl-1,2-bis{dimethyl[phenyl- 1(eta6)]silyl}-cyclobutadiene-2(eta4)}-chromium(0)-cobalt(I)
• Formula: C37 H37 Co Cr Si2
• Calculated formula: C37 H37 Co Cr Si2
• SMILES: [Si]1([c]23[Cr]456789%10%11%12([cH]%13[c]4([cH]%11[cH]8[cH]7[cH]%12%13)[Si]([C]47[Co]8%11%12%13%14%15([C](=[C]148)(c1ccccc1)[C]=7%12c1ccccc1)[cH]1[cH]%11[cH]%14[cH]%13[cH]%151)(C)C)[cH]2[cH]5[cH]9[cH]%10[cH]36)(C)C
• 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: 18.3347 ± 0.0007 Å
• b: 10.2468 ± 0.0003 Å
• c: 16.7982 ± 0.0006 Å
• α: 90°
• β: 103.437 ± 0.001°
• γ: 90°
• Cell volume: 3069.52 ± 0.18 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No