Information card for entry 7041093

Structure parameters

• Formula: C24 H28 Fe3 N2 O6 P2
• Calculated formula: C24 H28 Fe3 N2 O6 P2
• SMILES: C(#[O])[Fe]12(C#[O])(C#[O])[P]3([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]5([cH]4[cH]9[cH]%10[cH]%115)[P]1(N(CC)CC)[Fe]23(C#[O])(C#[O])C#[O])N(CC)CC
• Title of publication: Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes.
• Authors of publication: Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 19034 - 19044
• a: 19.399 ± 0.002 Å
• b: 10.4784 ± 0.0012 Å
• c: 15.5681 ± 0.0018 Å
• α: 90°
• β: 121.012 ± 0.001°
• γ: 90°
• Cell volume: 2712.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No