Information card for entry 7041092

Structure parameters

• Formula: C22 H28 Fe2 N2 O4 P2
• Calculated formula: C22 H28 Fe2 N2 O4 P2
• SMILES: [Fe]1([P@@]2(N(CC)CC)C(=O)[P@]1(N(CC)CC)[c]13[cH]4[Fe]56789%101([c]12[cH]5[cH]6[cH]7[cH]81)[cH]4[cH]9[cH]3%10)(C#[O])(C#[O])C#[O]
• 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: 9.9538 ± 0.0007 Å
• b: 10.0223 ± 0.0007 Å
• c: 13.4542 ± 0.001 Å
• α: 111.201 ± 0.001°
• β: 91.145 ± 0.001°
• γ: 107.133 ± 0.001°
• Cell volume: 1183.7 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0263
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No