Information card for entry 7110791

Structure parameters

• Formula: C95 H110 Ag4 Cl6 F24 N8 O4 P4
• Calculated formula: C89 H76 Ag2 Cl8 F24 N6 P4
• Title of publication: Metallatubulane: synthesis and structural analysis of an infinite tubular coordination network formed by the self-assembly of a tetracyanocyclophane and silver cations
• Authors of publication: Kleina, Cédric; Graf, Ernest; Hosseini, Mir Wais; De Cian, André; Fischer, Jean
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 239
• a: 24.2853 ± 0.0005 Å
• b: 19.1082 ± 0.0007 Å
• c: 11.9631 ± 0.0004 Å
• α: 90°
• β: 108.051 ± 0.002°
• γ: 90°
• Cell volume: 5278.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections: 2.527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.521
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No