Information card for entry 7703950

Structure parameters

• Formula: C65.6 H99.2 Na4 O8.4
• Calculated formula: C65.6 H99.2 Na4 O8.4
• Title of publication: Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes.
• Authors of publication: Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5257 - 5263
• a: 13.3331 ± 0.0001 Å
• b: 13.3331 ± 0.0001 Å
• c: 37.0015 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6577.81 ± 0.11 ų
• Cell temperature: 123.05 ± 0.1 K
• Ambient diffraction temperature: 123.05 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No