Information card for entry 4308202

Structure parameters

• Formula: C62 H94 Cu2 N2 O4
• Calculated formula: C62 H94 Cu2 N2 O4
• SMILES: [Cu]1234[Cu]56([O]3c3c(C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc3C(C)(C)C)C(C)(C)C)[O]4c1c(cc(cc1C[N]5(Cc1cc(cc(c1O6)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Ferromagnetic vs Antiferromagnetic Coupling in Bis(μ-phenoxo)dicopper(II) Complexes. Tuning of the Nature of Exchange Coupling by Remote Ligand Substituents
• Authors of publication: Phalguni Chaudhuri; Rita Wagner; Thomas Weyhermüller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5134 - 5136
• a: 10.0842 ± 0.0006 Å
• b: 10.7271 ± 0.0006 Å
• c: 27.6144 ± 0.0014 Å
• α: 93.97 ± 0.01°
• β: 94.92 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2969 ± 0.3 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: 0.0417
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.0896
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No