Information card for entry 4073443

Structure parameters

• Formula: C29 H31 Fe2 N3 O4
• Calculated formula: C29 H31 Fe2 N3 O4
• SMILES: [Fe]1234567([Fe]89%10%11([cH]%12[cH]9[cH]%10[cH]%11[cH]8%12)(C5=O)(C#[O])C6([C](C=7N(C)c5c(cccc5C)C)=NN=CC(=O)OCC)C)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Reactions of Diazo Compounds at μ-Vinyliminium Ligands: Synthesis of Novel Dinuclear Azine−Bis(alkylidene) Complexes
• Authors of publication: Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3577
• a: 9.0593 ± 0.0018 Å
• b: 11.785 ± 0.002 Å
• c: 12.541 ± 0.003 Å
• α: 96.29 ± 0.03°
• β: 95.75 ± 0.03°
• γ: 96.76 ± 0.03°
• Cell volume: 1312.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0542
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No