Information card for entry 7006757

Structure parameters

• Formula: C58 H58 Cu2 F6 N4 O12 S2
• Calculated formula: C58 H58 Cu2 F6 N4 O12 S2
• SMILES: c1cccc2CNC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=[O][Cu]3([n]12)([O](C)[Cu]1([n]2ccccc2CNC(C(c2ccccc2)(c2ccccc2)c2ccccc2)=[O]1)([O]3C)[OH]C)[OH]C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Multinuclear copper complexes of pyridylmethylamide ligands.
• Authors of publication: Pal Chaudhuri, Urmila; Whiteaker, Laura R.; Yang, Lei; Houser, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 15
• Pages of publication: 1902 - 1908
• a: 11.3265 ± 0.0008 Å
• b: 12.2802 ± 0.0008 Å
• c: 12.5623 ± 0.0009 Å
• α: 83.353 ± 0.001°
• β: 63.427 ± 0.001°
• γ: 70.64 ± 0.001°
• Cell volume: 1473.27 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No