Information card for entry 4311343

Structure parameters

• Formula: C71 H71 Cl2 Cu2 F12 O0.5 P6 S4
• Calculated formula: C68 H49 Cu2 F6 P5 S4
• Title of publication: Binuclear Copper(I) Macrocycles Synthesized via the Weak-Link Approach
• Authors of publication: Martin S. Masar; Chad A. Mirkin; Charlotte L. Stern; Lev N. Zakharov; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4693 - 4701
• a: 32.951 ± 0.002 Å
• b: 14.4561 ± 0.001 Å
• c: 32.267 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15370.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No