Information card for entry 4307080

Structure parameters

• Common name: 04043r
• Formula: C42 H50 Cu2 N4 S2
• Calculated formula: C42 H50 Cu2 N4 S2
• Title of publication: Ligand Structural Effects on Cu2S2 Bonding and Reactivity in Side-On Disulfido-Bridged Dicopper Complexes
• Authors of publication: Eric C. Brown; Itsik Bar-Nahum; John T. York; Nermeen W. Aboelella; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 486 - 496
• a: 23.6195 ± 0.0018 Å
• b: 10.7047 ± 0.0008 Å
• c: 15.6798 ± 0.0012 Å
• α: 90°
• β: 95.113 ± 0.001°
• γ: 90°
• Cell volume: 3948.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No