Information card for entry 7103380

Structure parameters

• Formula: C79 H68 Ag2 Br4 N4 O P4 Pd2 S4
• Calculated formula: C79 H66 Ag2 Br4 N4 O P4 Pd2 S4
• Title of publication: Modular construction of a series of heteronuclear metallamacrocycles.
• Authors of publication: Baudron, Stéphane A; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 4558 - 4560
• a: 10.2098 ± 0.0003 Å
• b: 12.0948 ± 0.0004 Å
• c: 17.5469 ± 0.0006 Å
• α: 101.96 ± 0.002°
• β: 95.545 ± 0.002°
• γ: 104.022 ± 0.002°
• Cell volume: 2031.83 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No