Information card for entry 4079566

Structure parameters

• Formula: C61 H30 Ag13 Br7 F27 N7 O19
• Calculated formula: C61 H29 Ag13 Br7 F27 N7 O19
• Title of publication: Assembly of Silver-Organic Frameworks and Discrete Molecules Containing Embedded 1,3-Butadiyne-1,4-diide with Ancillary Heteroaromatic N-Donor Ligands
• Authors of publication: Hu, Ting; Zhao, Liang; Mak, Thomas C. W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7539
• a: 14.6146 ± 0.0008 Å
• b: 19.0197 ± 0.0011 Å
• c: 19.3313 ± 0.0011 Å
• α: 62.543 ± 0.001°
• β: 87.711 ± 0.001°
• γ: 76.841 ± 0.001°
• Cell volume: 4629.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No