Information card for entry 4081830

Structure parameters

• Formula: C28 H16 Fe2 O6 P2
• Calculated formula: C28 H16 Fe2 O6 P2
• SMILES: [Fe]12([Fe]3([P]1(c1cccc4cccc([P]23c2ccccc2)c14)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])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: 8.9116 ± 0.0003 Å
• b: 12.2485 ± 0.0004 Å
• c: 12.8319 ± 0.0005 Å
• α: 85.5567 ± 0.0009°
• β: 75.4935 ± 0.0009°
• γ: 71.5005 ± 0.0008°
• Cell volume: 1285.92 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No