Information card for entry 4328889

Structure parameters

• Chemical name: La[15-MC Cu(II), L-homopheHA-5](isonicotinate)
• Formula: C63 H94.5 Cu5 La N13 O29.25
• Calculated formula: C62.75 H71 Cu5 La N13 O31
• Title of publication: Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal
• Authors of publication: Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4527 - 4538
• a: 16.4964 ± 0.0003 Å
• b: 16.4964 ± 0.0003 Å
• c: 61.5156 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16740.3 ± 0.7 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No