Information card for entry 7006094

Structure parameters

• Formula: C188 H250 Co2 N2 O16
• Calculated formula: C188 H250 Co2 N2 O16
• SMILES: O1c2c3Cc4cc(C(C)(C)C)cc(c4O)Cc4c(O)c(cc(C(C)(C)C)c4)Cc4c(O)c(cc(C(C)(C)C)c4)Cc4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc5Cc6cc(C(C)(C)C)cc7Cc8c(c(cc(C(C)(C)C)c8)Cc2cc(c3)C(C)(C)C)[OH][Co]21[O]c1c3Cc8c9[OH][Co]([O]c67)(Oc45)Oc4c(cc(C(C)(C)C)cc4Cc9cc(C(C)(C)C)c8)Cc4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc(c4O)Cc4cc(C(C)(C)C)cc(c4O2)Cc1cc(c3)C(C)(C)C.C(C)[NH+](CC)CC.C(C)[NH+](CC)CC
• Title of publication: A dinuclear cobalt(II) complex of calix[8]arenes exibiting strong magnetic anisotropy.
• Authors of publication: Petit, Sarah; Pilet, Guillaume; Luneau, Dominique; Chibotaru, Liviu F.; Ungur, Liviu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4582 - 4588
• a: 14.89 ± 0.01 Å
• b: 20.9 ± 0.02 Å
• c: 30.87 ± 0.04 Å
• α: 90°
• β: 102.57 ± 0.07°
• γ: 90°
• Cell volume: 9377 ± 17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1642
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections: 0.1548
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No