Information card for entry 4067282

Structure parameters

• Formula: C58 H70 Ce N5 O11
• Calculated formula: C58 H70 Ce N5 O11
• 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: 14.868 ± 0.004 Å
• b: 25.174 ± 0.006 Å
• c: 22.523 ± 0.006 Å
• α: 90°
• β: 98.458 ± 0.004°
• γ: 90°
• Cell volume: 8338 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No