Information card for entry 4328888

Structure parameters

• Chemical name: Gd[15-MC Cu(II), L-homopheHA-5](btDC)
• Formula: C154.25 H225 Cu10 Gd2 N28 O58.25 S6
• Calculated formula: C154.75 H188.25 Cu10 Gd2 N28 O58.25 S6
• 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: 16.7609 ± 0.0009 Å
• b: 35.759 ± 0.002 Å
• c: 17.9482 ± 0.001 Å
• α: 90°
• β: 107.712 ± 0.001°
• γ: 90°
• Cell volume: 10247.4 ± 1 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No