Information card for entry 7114741

Structure parameters

• Formula: C68 H54 Ag F6 O3 P5
• Calculated formula: C68 H48 Ag F6 O2.75 P5
• Title of publication: Thermal reactivities of isostructural d10 metalloenediynes: metal-dependent Bergman cyclization
• Authors of publication: Schmitt, Elbert W.; Huffman, John C.; Zaleski, Jeffrey M.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 167
• a: 11.495 ± 0.0004 Å
• b: 20.2486 ± 0.0007 Å
• c: 28.7007 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6680.3 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 26
• Hermann-Mauguin space group symbol: P b 21 m
• Hall space group symbol: P -2 -2b
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No