Information card for entry 4311308

Structure parameters

• Formula: C41 H38 Cl2 Cu2 F6 N6 O8 S2
• Calculated formula: C41 H38 Cl2 Cu2 F6 N6 O8 S2
• Title of publication: Influence of the [2.1.1]-(2,6)-Pyridinophane Macrocycle Ring Size Constraint on the Structure and Reactivity of Copper Complexes
• Authors of publication: A. N. Vedernikov; M. Pink; K. G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4300 - 4305
• a: 9.9327 ± 0.0009 Å
• b: 10.6687 ± 0.001 Å
• c: 11.3605 ± 0.001 Å
• α: 83.677 ± 0.002°
• β: 69.113 ± 0.002°
• γ: 74.624 ± 0.002°
• Cell volume: 1084.33 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No