Information card for entry 4330163

Structure parameters

• Formula: C21 H24 Cl2 Cu F6 N6 O4
• Calculated formula: C21 H24 Cl2 Cu F6 N6 O4
• Title of publication: Copper(I) Nitro Complex with an Anionic [HB(3,5-Me2Pz)3]-Ligand: A Synthetic Model for the Copper Nitrite Reductase Active Site
• Authors of publication: Sodio C. N. Hsu; Yu-Lun Chang; Wan-Jung Chuang; Hsing-Yin Chen; I-Jung Lin; Michael Y. Chiang; Chai-Lin Kao; Hsuan-Ying Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9297 - 9308
• a: 13.7806 ± 0.0003 Å
• b: 8.2508 ± 0.0002 Å
• c: 24.347 ± 0.0006 Å
• α: 90°
• β: 91.632 ± 0.001°
• γ: 90°
• Cell volume: 2767.15 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No