Information card for entry 7041091

Structure parameters

• Formula: C22 H28 Cr Fe N2 O4 P2
• Calculated formula: C22 H28 Cr Fe N2 O4 P2
• SMILES: [Fe]123456789[c]%10([P@]%11([P@@](N(CC)CC)([c]%125[cH]6[cH]7[cH]8[cH]9%12)[Cr]%11(C#[O])(C#[O])(C#[O])C#[O])N(CC)CC)[cH]1[cH]2[cH]3[cH]4%10
• 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: 17.74 ± 0.0002 Å
• b: 8.842 ± 0.0002 Å
• c: 18.501 ± 0.0003 Å
• α: 90°
• β: 118.113 ± 0.001°
• γ: 90°
• Cell volume: 2559.63 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No