Information card for entry 7715427

Structure parameters

• Formula: C66 H88 B2 N6 O2 Zn2
• Calculated formula: C66 H88 B2 N6 O2 Zn2
• Title of publication: Exploring the carbonic anhydrase-mimetic [(PMDTA)₂ZnII2(OH^-)₂]²⁺ for nitric oxide monooxygenation.
• Authors of publication: Das, Sandip; Kumar, Pankaj
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 6173 - 6177
• a: 10.8666 ± 0.0012 Å
• b: 11.7591 ± 0.0013 Å
• c: 13.51 ± 0.0014 Å
• α: 69.809 ± 0.004°
• β: 72.122 ± 0.004°
• γ: 69.657 ± 0.004°
• Cell volume: 1484.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No