Information card for entry 4331014

Structure parameters

• Formula: C110 H103 Cu2 F24 N21 O4 P4
• Calculated formula: C110 H103 Cu2 F24 N21 O4 P4
• 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: 27.2617 ± 0.0017 Å
• b: 10.6304 ± 0.0005 Å
• c: 19.5032 ± 0.0009 Å
• α: 90°
• β: 100.914 ± 0.004°
• γ: 90°
• Cell volume: 5549.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No