Information card for entry 4077633

Structure parameters

• Formula: C40 H31 Cl2 Fe4 Ga2 N3 O8
• Calculated formula: C40 H31 Cl2 Fe4 Ga2 N3 O8
• SMILES: [Ga]1([n]2ccccc2c2[n]1cccc2)([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[Ga]([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)(Cl)Cl.N#CC
• Title of publication: Synthesis of Cationic Diiron Complexes Bridged by a Base-Stabilized Gallium Atom [Fp2(μ-Ga·Do2)]+X-(Fp = (η-C5H5)Fe(CO)2, Do2= 2,2‘-Bipyridine,N,N,N‘,N‘-Tetramethylethylenediamine, 1,10-Phenanthroline, (4-(Dimethylamino)pyridine)2, X-= [Fp2GaCl2]-, BPh4-)
• Authors of publication: Ueno, Keiji; Watanabe, Takahito; Ogino, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 5679
• a: 13.816 ± 0.006 Å
• b: 14.931 ± 0.004 Å
• c: 10.731 ± 0.005 Å
• α: 93.54 ± 0.03°
• β: 99.38 ± 0.04°
• γ: 78.16 ± 0.03°
• Cell volume: 2136.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No