Information card for entry 4071679

Structure parameters

• Formula: C57 H54 Fe2 Ga O6 P3
• Calculated formula: C57 H54 Fe2 Ga O6 P3
• SMILES: [Fe]([Ga][Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of a Gallium-Bridged Diiron Complex with Alkyl Lithium, HCl, and Phosphines
• Authors of publication: Muraoka, Takako; Motohashi, Hideaki; Hirotsu, Masakazu; Ueno, Keiji
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3918
• a: 11.3945 ± 0.0008 Å
• b: 14.6164 ± 0.001 Å
• c: 17.6617 ± 0.0011 Å
• α: 108.559 ± 0.001°
• β: 99.294 ± 0.002°
• γ: 110.135 ± 0.002°
• Cell volume: 2493.7 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0382
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No