Information card for entry 1573530

Structure parameters

• Chemical name: <i>trans</i>-Bis(quinoline-8-amine-κ^2^<i>N</i>,<i>N</i>')bis(1,1,3,3-tetracyano-2-methoxypropenido-κ<i>N</i>)iron(II)
• Formula: C34 H22 Fe N12 O2
• Calculated formula: C34 H22 Fe N12 O2
• SMILES: c12c3c(ccc[n]3[Fe]3([NH2]2)(N=C=C(C(OC)=C(C#N)C#N)C#N)([n]2c4c(cccc4ccc2)[NH2]3)N=C=C(C(OC)=C(C#N)C#N)C#N)ccc1
• Title of publication: trans-Bis(quinoline-8-amine-κ2 N,N′)bis(1,1,3,3-tetracyano-2-methoxypropenido-κN)iron(II)
• Authors of publication: Setifi, Fatima; Setifi, Zouaoui; Böhme, Uwe; Al-Douh, Mohammad Hadi; Satour, Achouak
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 12
• Pages of publication: x241219
• a: 8.3617 ± 0.0005 Å
• b: 9.8067 ± 0.0006 Å
• c: 10.1251 ± 0.0005 Å
• α: 100.206 ± 0.003°
• β: 90.276 ± 0.003°
• γ: 90.5 ± 0.003°
• Cell volume: 817.08 ± 0.08 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No