Information card for entry 7716946

Structure parameters

• Common name: ZnBAME
• Chemical name: [Zinc (II) N,N?- bis(4-antipyrlmethylidene)ethylenediamine chloride] chloride
• Formula: C27 H32 Cl2 N6 O3 Zn
• Calculated formula: C27 H32 Cl2 N6 O3 Zn
• Title of publication: Mononuclear Fe(III) Schiff base antipyrine complexes for catalytic hydrogen generation.
• Authors of publication: Cropley, Jessica D.; Mitchell, Amanda C.; Fritsch, Nicole A.; Ho, Marissa; Wells, Timothy D.; Reynolds, Todd M.; Brennessel, William W.; McNamara, William R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 37
• Pages of publication: 15421 - 15426
• a: 16.6505 ± 0.0013 Å
• b: 15.7096 ± 0.0013 Å
• c: 21.6693 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5668.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No