Information card for entry 7119289

Structure parameters

• Formula: C45 H71 Cu F6 N4 O2
• Calculated formula: C45 H71 Cu F6 N4 O2
• Title of publication: Nitric oxide release via oxygen atom transfer from nitrite at copper(ii).
• Authors of publication: Sakhaei, Zeinab; Kundu, Subrata; Donnelly, Jane M.; Bertke, Jeffery A.; Kim, William Y.; Warren, Timothy H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 549 - 552
• a: 24.3428 ± 0.0007 Å
• b: 16.7818 ± 0.0005 Å
• c: 23.2483 ± 0.0007 Å
• α: 90°
• β: 93.793 ± 0.002°
• γ: 90°
• Cell volume: 9476.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No