Information card for entry 4336996

Structure parameters

• Formula: C12 H10 Ag4 N18 O16
• Calculated formula: C12 H10 Ag4 N18 O16
• 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: 8.5731 ± 0.0003 Å
• b: 12.244 ± 0.0005 Å
• c: 13.8489 ± 0.0005 Å
• α: 90.032 ± 0.001°
• β: 91.937 ± 0.001°
• γ: 98.991 ± 0.002°
• Cell volume: 1435 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No