Information card for entry 7105510

Structure parameters

• Formula: C87 H68 B2 Cl2 Cu2 F8 N6 P4
• Calculated formula: C87 H66 B2 Cl2 Cu2 F8 N6 P4
• Title of publication: Coordination of NO2− ligand to Cu(i) ion in an O,O-bidentate fashion that evolves NO gas upon protonation: a model reaction relevant to the denitrification process
• Authors of publication: Chen, Chi-Shian; Yeh, Wen-Yann
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 3098 - 3100
• a: 12.87 ± 0.0002 Å
• b: 15.1448 ± 0.0002 Å
• c: 23.0511 ± 0.0003 Å
• α: 98.783 ± 0.001°
• β: 93.53 ± 0.001°
• γ: 101.671 ± 0.001°
• Cell volume: 4328.6 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No