Information card for entry 7702864

Structure parameters

• Formula: C40.5 H51.5 Gd N10.5 O11 Zn
• Calculated formula: C40.5 H45 Gd N10.5 O11 Zn
• Title of publication: Structural characterisation, EPR and magnetic properties of f‒f and f‒d lanthanide(iii) phenolic cryptates
• Authors of publication: Avecilla, Fernando; Platas-Iglesias, Carlos; Rodríguez-Cortiñas, Raquel; Guillemot, Geoffroy; Bünzli, Jean-Claude G.; Brondino, Carlos D.; Geraldes, Carlos F. G. C.; Blas, Andrés de; Rodríguez-Blas, Teresa
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4658
• a: 10.7705 ± 0.0014 Å
• b: 12.659 ± 0.0016 Å
• c: 17.494 ± 0.002 Å
• α: 81.937 ± 0.003°
• β: 87.968 ± 0.003°
• γ: 81.534 ± 0.002°
• Cell volume: 2335.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2044
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No