Information card for entry 4116926

Structure parameters

• Formula: C38 H60 B2 F8 Fe O2 P2 Pd
• Calculated formula: C38 H60 B2 F8 Fe O2 P2 Pd
• Title of publication: Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects
• Authors of publication: Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 550 - 559
• a: 10.638 ± 0.002 Å
• b: 17.011 ± 0.003 Å
• c: 22.978 ± 0.004 Å
• α: 90°
• β: 97.92 ± 0.014°
• γ: 90°
• Cell volume: 4118.5 ± 1.3 ų
• Cell temperature: 247 ± 2 K
• Ambient diffraction temperature: 247 ± 2 K
• Number of distinct elements: 8
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.0899
• Goodness-of-fit parameter for all reflections: 0.848
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No