Information card for entry 4331007

Structure parameters

• Formula: C60 H56 Cu1.35 F6 N12 O8 S2
• Calculated formula: C60 H56 Cu1.351 F6 N12 O8 S2
• Title of publication: Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity
• Authors of publication: Aline Arnold; Christian Limberg; Ramona Metzinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12210 - 12217
• a: 10.5204 ± 0.0006 Å
• b: 12.7204 ± 0.0007 Å
• c: 13.2698 ± 0.0009 Å
• α: 106.207 ± 0.005°
• β: 105.279 ± 0.005°
• γ: 110.881 ± 0.004°
• Cell volume: 1457.02 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1553
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2655
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No