Information card for entry 4336995

Structure parameters

• Formula: C13 H9 Ag3 N14 O12
• Calculated formula: C13 H9 Ag3 N14 O12
• SMILES: c1(cc([n]2n1[Ag]n1c(cc([n]1[Ag]n1c(cc([n]1[Ag]2([N]#CC)[N]#CC)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Solventless Supramolecular Chemistry via Vapor Diffusion of Volatile Small Molecules upon a New Trinuclear Silver(I)-Nitrated Pyrazolate Macrometallocyclic Solid: An Experimental/Theoretical Investigation of the Dipole/Quadrupole Chemisorption Phenomena
• Authors of publication: Rossana Galassi; Simone Ricci; Alfredo Burini; Alceo Macchioni; Luca Rocchigiani; Fabio Marmottini; Sammer M. Tekarli; Vladimir N. Nesterov; Mohammad A. Omary
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14124 - 14137
• a: 14.4883 ± 0.0003 Å
• b: 12.4162 ± 0.0003 Å
• c: 14.3661 ± 0.0003 Å
• α: 90°
• β: 109.604 ± 0.001°
• γ: 90°
• Cell volume: 2434.51 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0134
• Residual factor for significantly intense reflections: 0.0127
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No