Information card for entry 4077206

Structure parameters

• Formula: C22 H21 Fe2 Ga O3
• Calculated formula: C22 H21 Fe2 Ga O3
• SMILES: [Ga]1([Fe]23456([Fe]789%101(C2=O)(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Structures of Mesitylgallylene-Bridged Diiron Complexes [Cp‘Fe(CO)]2(μ-CO)(μ-GaMes) (Cp‘ = η-C5Me5, η-C5H5; Mes = 2,4,6-Trimethylphenyl) and Kinetic Study of the Cis−Trans Isomerization of [(η-C5H5)Fe(CO)]2(μ-CO)(μ-GaMes)
• Authors of publication: Yamaguchi, Takeshi; Ueno, Keiji; Ogino, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 3
• Pages of publication: 501
• a: 8.5605 ± 0.0003 Å
• b: 19.6762 ± 0.0008 Å
• c: 12.8157 ± 0.0005 Å
• α: 90°
• β: 106.46 ± 0.003°
• γ: 90°
• Cell volume: 2070.19 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0508
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No