Information card for entry 4505938

Structure parameters

• Formula: C47 H66 B3 F12 N10 O1.5 Pd3
• Calculated formula: C47 H66 B3 F12 N10 O1.5 Pd3
• Title of publication: Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions
• Authors of publication: Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1952
• a: 10.0566 ± 0.0004 Å
• b: 14.3393 ± 0.0005 Å
• c: 20.4904 ± 0.0005 Å
• α: 79.761 ± 0.002°
• β: 89.847 ± 0.002°
• γ: 73.098 ± 0.002°
• Cell volume: 2778.38 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No