Information card for entry 7706064

Structure parameters

• Formula: C72 H107.62 Al2 Cl N4 O6.31
• Calculated formula: C72 H107.626 Al2 Cl N4 O6.313
• Title of publication: Structural analysis of five-coordinate aluminium(salen) complexes and its relationship to their catalytic activity.
• Authors of publication: Fish, Heather; Hart, Sam; Lamb, Katie J.; North, Michael; Quek, Sophie C. Z.; Whitwood, Adrian C.; Woods, Barnaby; Wu, Xiao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 587 - 598
• a: 14.4538 ± 0.0004 Å
• b: 19.9792 ± 0.0004 Å
• c: 28.2756 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8165.3 ± 0.3 ų
• Cell temperature: 110.1 ± 0.2 K
• Ambient diffraction temperature: 110.1 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No