Information card for entry 7033380

Structure parameters

• Formula: C26 H34 Mn N4 O10
• Calculated formula: C26 H34 Mn N4 O10
• SMILES: [Mn]123(ON(=O)=O)(ON(=[O]1)=O)([N](=C(c1ccccc1)C1([OH]2)CCCCC1)O)[N](=C(c1ccccc1)C1([OH]3)CCCCC1)O
• Title of publication: Structural variations in metal complexes of a tertiary α-hydroxyoxime.
• Authors of publication: D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7163 - 7168
• a: 10.6575 ± 0.0008 Å
• b: 11.8208 ± 0.0009 Å
• c: 12.1533 ± 0.0009 Å
• α: 81.878 ± 0.006°
• β: 74.254 ± 0.006°
• γ: 78.403 ± 0.006°
• Cell volume: 1437.42 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No