Information card for entry 4311309

Structure parameters

• Formula: C19.33 H17.67 Cl1.67 Cu N3
• Calculated formula: C19.3334 H17.6668 Cl1.6668 Cu N3
• 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: 21.0593 ± 0.0016 Å
• b: 21.0593 Å
• c: 7.5642 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2905.2 ± 0.3 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No