Information card for entry 4514825

Structure parameters

• Formula: C19 H28 Cl Cu N3 O4
• Calculated formula: C19 H28 Cl Cu N3 O4
• Title of publication: Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes.
• Authors of publication: Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai
• Journal of publication: ACS catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 7746 - 7758
• a: 23.1742 ± 0.0003 Å
• b: 9.9101 ± 0.0001 Å
• c: 9.2756 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2130.22 ± 0.04 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No