Information card for entry 4106959

Structure parameters

• Formula: C20.8 H40.6 B18 Cl1.6 Co N P
• Calculated formula: C20.8 H40.6 B18 Cl1.6 Co N P
• Title of publication: Relaxed but Highly Compact Diansa Metallacyclophanes
• Authors of publication: Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16537 - 16552
• a: 10.508 ± 0.003 Å
• b: 15.676 ± 0.003 Å
• c: 20.258 ± 0.007 Å
• α: 90°
• β: 90.323 ± 0.002°
• γ: 90°
• Cell volume: 3336.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No