Information card for entry 4116928

Structure parameters

• Formula: C41.8 H38 B2 Cl1.2 F8 Fe O2 P2 Pd
• Calculated formula: C41.8 H37.2 B2 Cl1.2 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: 14.653 ± 0.002 Å
• b: 20.987 ± 0.002 Å
• c: 15.441 ± 0.002 Å
• α: 90°
• β: 103.41 ± 0.01°
• γ: 90°
• Cell volume: 4619 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections: 0.2022
• Weighted residual factors for significantly intense reflections: 0.1642
• Goodness-of-fit parameter for all reflections: 1.098
• Goodness-of-fit parameter for significantly intense reflections: 1.506
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No