Information card for entry 4024799

Structure parameters

• Formula: C93 H96 F45 N21 O24 P4.5 Pd3 S6
• Calculated formula: C93 H96 F42 N21 O24 P4.5 Pd3 S6
• Title of publication: Expanding the Cavity Size: Preparation of 2:1 Inclusion Complexes Based on Dinuclear Square Metallocycles
• Authors of publication: Víctor Blanco; Albert Gutiérrez; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6577 - 6583
• a: 27.957 ± 0.002 Å
• b: 19.8218 ± 0.0014 Å
• c: 36.046 ± 0.004 Å
• α: 90°
• β: 111.639 ± 0.002°
• γ: 90°
• Cell volume: 18567 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2306
• Residual factor for significantly intense reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.4005
• Weighted residual factors for all reflections included in the refinement: 0.4487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.512
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No