Information card for entry 4325733

Structure parameters

• Formula: C50 H44 Cu2 N4 O P2
• Calculated formula: C50 H44 Cu2 N4 O P2
• Title of publication: Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper
• Authors of publication: Gengwen Tan; Hongping Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6979 - 6986
• a: 12.2441 ± 0.0003 Å
• b: 13.6298 ± 0.0004 Å
• c: 28.0083 ± 0.0007 Å
• α: 90°
• β: 96.909 ± 0.002°
• γ: 90°
• Cell volume: 4640.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No