Information card for entry 7128997

Structure parameters

• Formula: C24.62 H35 Cl0.25 N3 O4.38 S Zn
• Calculated formula: C24.625 H35 Cl0.25 N3 O4.375 S Zn
• Title of publication: Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.
• Authors of publication: Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 80
• Pages of publication: 10403 - 10406
• a: 12.0902 ± 0.0017 Å
• b: 14.849 ± 0.002 Å
• c: 16.669 ± 0.002 Å
• α: 111.874 ± 0.002°
• β: 106.757 ± 0.002°
• γ: 94.825 ± 0.002°
• Cell volume: 2596.7 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No