Information card for entry 4115630

Structure parameters

• Formula: C49 H48 Cl2 N4 O7 Pd
• Calculated formula: C49 H48.006 Cl2 N4 O7 Pd
• Title of publication: A Conformationally Programmable Ligand
• Authors of publication: Yong S. Chong; Mark D. Smith; Ken D. Shimizu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7463 - 7464
• a: 11.2844 ± 0.0009 Å
• b: 11.4009 ± 0.0009 Å
• c: 18.2311 ± 0.0014 Å
• α: 80.542 ± 0.001°
• β: 73.825 ± 0.002°
• γ: 82.607 ± 0.002°
• Cell volume: 2213.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No