Information card for entry 4115970

Structure parameters

• Formula: C68 H48 Cl N O3 P4 Pd2
• Calculated formula: C68 H48 Cl N O3 P4 Pd2
• Title of publication: Structure and Thermal Reactivity of a Novel Pd(0) Metalloenediyne
• Authors of publication: Nicole L. Coalter; Thomas E. Concolino; William E. Streib; Chris G. Hughes; Arnold L. Rheingold; Jeffrey M. Zaleski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 3112 - 3117
• a: 11.4456 ± 0.0002 Å
• b: 18.5241 ± 0.0002 Å
• c: 14.3865 ± 0.0002 Å
• α: 90°
• β: 103.141 ± 0.0008°
• γ: 90°
• Cell volume: 2970.35 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1338
• Residual factor for significantly intense reflections: 0.1277
• Weighted residual factors for significantly intense reflections: 0.4027
• Weighted residual factors for all reflections included in the refinement: 0.4067
• Goodness-of-fit parameter for all reflections included in the refinement: 3.54
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No