Information card for entry 4079569

Structure parameters

• Formula: C48 H32 Ag12 F30 N16 O20
• Calculated formula: C44 H28 Ag12 F30 N20 O20
• 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: 14.9245 ± 0.0019 Å
• b: 16.1583 ± 0.0018 Å
• c: 25.451 ± 0.003 Å
• α: 98.792 ± 0.002°
• β: 99.649 ± 0.003°
• γ: 97.927 ± 0.002°
• Cell volume: 5894.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1127
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No