Information card for entry 7003665

Structure parameters

• Formula: C52 H80 N4 Na4 O6
• Calculated formula: C52 H80 N4 Na4 O6
• Title of publication: Synthetic and structural investigations of alkali metal diamine bis(phenolate) complexes
• Authors of publication: Clegg, William; Davidson, Matthew G.; Graham, David V.; Griffen, Gemma; Jones, Matthew D.; Kennedy, Alan R.; O'Hara, Charles T.; Russo, Luca; Thomson, Calum M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1295 - 1301
• a: 16.2626 ± 0.0004 Å
• b: 16.8683 ± 0.0006 Å
• c: 21.4569 ± 0.0005 Å
• α: 90°
• β: 111.185 ± 0.002°
• γ: 90°
• Cell volume: 5488.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No