Information card for entry 4317146

Structure parameters

• Formula: C94 H98 Co Fe2 N10 O28
• Calculated formula: C94 H98 Co Fe2 N10 O28
• SMILES: [Co]12([O]=C3C(=[O]1)O[Fe]14(O3)(OC(=[O]3)C(=[O]5)O1)OC(=O)C(=O)O4)[O]=C1C(=[O]2)O[Fe]24(O1)(OC(=O)C(=O)O2)OC(=[O]1)C(O4)=[O][Co]24135([O]=C1C(=[O]2)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3)[O]=C1C(=[O]4)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(O3)=O.N(C)(c1ccc(cc1)C=O)C.O.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.O.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.N(C)(C)c1ccc(cc1)C=O.N(C)(c1ccc(cc1)C=O)C.O.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.O.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.c1cc(cc[n+]1C)/C=C/c1ccc(N(C)C)cc1.N(C)(C)c1ccc(cc1)C=O
• Title of publication: Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains
• Authors of publication: Elena Cariati; Renato Ugo; Giuseppe Santoro; Elisa Tordin; Lorenzo Sorace; Andrea Caneschi; Angelo Sironi; Piero Macchi; Nicola Casati
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10894 - 10901
• a: 39.364 ± 0.003 Å
• b: 48.759 ± 0.004 Å
• c: 9.4875 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18210 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.2095
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No