Information card for entry 7045086

Structure parameters

• Formula: C19 H14 Fe N O3 Re
• Calculated formula: C19 H14 Fe N O3 Re
• SMILES: [Re]1234([c]5([cH]4[cH]3[cH]2[cH]15)/C=N/[c]12[Fe]3456789([cH]%10[cH]3[cH]4[cH]5[cH]6%10)[cH]1[cH]7[cH]8[cH]29)(C#[O])(C#[O])C#[O]
• Title of publication: Isomeric and hybrid ferrocenyl/cyrhetrenyl aldimines: a new family of multifunctional compounds.
• Authors of publication: Oyarzo, Juan; Acuña, Alejandra; Klahn, Hugo; Arancibia, Rodrigo; Silva, Carlos P.; Bosque, Ramón; López, Concepción; Font-Bardía, Mercè; Calvis, Carme; Messeguer, Ramón
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1635 - 1649
• a: 7.7538 ± 0.0003 Å
• b: 10.0032 ± 0.0003 Å
• c: 11.4059 ± 0.0004 Å
• α: 99.296 ± 0.002°
• β: 104.904 ± 0.001°
• γ: 98.359 ± 0.001°
• Cell volume: 827.32 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0179
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No