Information card for entry 4067283

Structure parameters

• Formula: C58 H69 Ce Cl Cu N4 O8
• Calculated formula: C58 H69 Ce Cl Cu N4 O8
• Title of publication: Cu2O: A Versatile Reagent for Base-Free Direct Synthesis of NHC-Copper Complexes and Decoration of 3D-MOF with Coordinatively Unsaturated NHC-Copper Species
• Authors of publication: Chun, Jiseul; Lee, Han Sol; Jung, Il Gu; Lee, Soon Won; Kim, Hae Jin; Son, Seung Uk
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1518
• a: 15.4828 ± 0.0015 Å
• b: 24.962 ± 0.002 Å
• c: 22.355 ± 0.002 Å
• α: 90°
• β: 99.575 ± 0.006°
• γ: 90°
• Cell volume: 8519.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0963
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No