Information card for entry 4081832

Structure parameters

• Formula: C48 H32 Fe2 O4 P4
• Calculated formula: C48 H32 Fe2 O4 P4
• SMILES: c1(ccccc1)[P@@]12[Fe]34([P@]5(c6cccc7c6c([P@@]45c4ccccc4)ccc7)c4ccccc4)(C#[O])[Fe]1(C#[O])(C#[O])([P@]3(c1cccc3cccc2c13)c1ccccc1)C#[O]
• Title of publication: Formation of a Hexacarbonyl Diiron Complex Having a Naphthalene-1,8-bis(phenylphosphido) Bridge and the Electrochemical Behavior of Its Derivatives
• Authors of publication: Teramoto, Yuichi; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7014
• a: 10.9048 ± 0.0009 Å
• b: 15.866 ± 0.0013 Å
• c: 12.1558 ± 0.001 Å
• α: 90°
• β: 101.82 ± 0.001°
• γ: 90°
• Cell volume: 2058.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No