Information card for entry 7016352

Structure parameters

• Formula: C75 H62 Cl2 Cu2 N8 O6 P4
• Calculated formula: C75 H62 Cl2 Cu2 N8 O6 P4
• Title of publication: A dinuclear extension to constrained heteroleptic Cu(i) systems.
• Authors of publication: Gil, Belén; Cooke, Gareth A.; Nolan, Deanne; O Máille, Gearóid M; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8320 - 8327
• a: 14.57 ± 0.004 Å
• b: 19.092 ± 0.005 Å
• c: 26.482 ± 0.008 Å
• α: 90°
• β: 96.897 ± 0.007°
• γ: 90°
• Cell volume: 7313 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No