Information card for entry 7703951

Structure parameters

• Formula: C50 H96 Mg N6 Na2 O2
• Calculated formula: C50 H96 Mg N6 Na2 O2
• 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: 12.9924 ± 0.0003 Å
• b: 14.0108 ± 0.0003 Å
• c: 15.4464 ± 0.0005 Å
• α: 90°
• β: 100.04 ± 0.003°
• γ: 90°
• Cell volume: 2768.71 ± 0.13 ų
• Cell temperature: 123.25 ± 0.1 K
• Ambient diffraction temperature: 123.25 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No