Information card for entry 7711482

Structure parameters

• Formula: C141 H204 Fe2 N10 O8
• Calculated formula: C141 H204 Fe2 N10 O8
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N](=CNc1c(cccc1C(C)C)C(C)C)[Fe]12[O]=C(N(c3c(cccc3C(C)C)C(C)C)/C=N/c3c(cccc3C(C)C)C(C)C)O[Fe]3([O]=C(N(c4c(cccc4C(C)C)C(C)C)/C=N/c4c(cccc4C(C)C)C(C)C)O1)(OC(N(c1c(cccc1C(C)C)C(C)C)/C=N/c1c(cccc1C(C)C)C(C)C)=[O]2)[O]=C(N(c1c(cccc1C(C)C)C(C)C)/C=N/c1c(cccc1C(C)C)C(C)C)O3.CCCCCC.CCCCCC
• Title of publication: Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates
• Authors of publication: Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 21.55 ± 0.005 Å
• b: 29.745 ± 0.005 Å
• c: 22.858 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.43 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 14639 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0676
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No