Information card for entry 7002125

Structure parameters

• Formula: C34 H36 Fe2 I2 N4 O4
• Calculated formula: C34 H36 Fe2 I2 N4 O4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]2345(C#[O])(=C1N(C=CN1c1ccc(N2C(N(C=C2)CCCC)=[Fe]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(C#[O])C#[O])cc1)CCCC)C#[O].[I-].[I-]
• Title of publication: Main-chain organometallic polymers comprising redox-active iron(ii) centers connected by ditopic N-heterocyclic carbenes
• Authors of publication: Mercs, Laszlo; Neels, Antonia; Stoeckli-Evans, Helen; Albrecht, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7168
• a: 7.8161 ± 0.0013 Å
• b: 9.7331 ± 0.0015 Å
• c: 12.836 ± 0.002 Å
• α: 99.738 ± 0.013°
• β: 104.479 ± 0.013°
• γ: 89.843 ± 0.013°
• Cell volume: 931.1 ± 0.3 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: 0.0717
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No