Information card for entry 7007281

Structure parameters

• Formula: C33 H39 Cr O10
• Calculated formula: C33 H39 Cr O10
• SMILES: [Cr]123456789%10([c]%11([cH]1[c]2([cH]3[c]4([cH]5%11)C)C)C)[c]1([cH]6[c]7([cH]8[c]9([cH]%101)C)C)C.O=C(OC)[c-]1c(c(c(c1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations.
• Authors of publication: Calucci, Lucia; Cloke, F Geoffrey N; Englert, Ulli; Hitchcock, Peter B.; Pampaloni, Guido; Pinzino, Calogero; Puccini, Filippo; Volpe, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 35
• Pages of publication: 4228 - 4234
• a: 19.0585 ± 0.0012 Å
• b: 20.8529 ± 0.0012 Å
• c: 31.3141 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12445 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No