Information card for entry 4325737

Structure parameters

• Formula: C52 H50 Cu N4 P2 S2
• Calculated formula: C52 H50 Cu N4 P2 S2
• 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: 14.2716 ± 0.0006 Å
• b: 17.6685 ± 0.0009 Å
• c: 35.8182 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9031.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No