Information card for entry 4316156

Structure parameters

• Formula: C72 H117 Ag3 N12 S6
• Calculated formula: C72 H117 Ag3 N12 S6
• SMILES: [Ag]123[S]=C4S[Ag]5([S]=C6S[Ag]7([S]=C(S1)C(n1[n]3c(cc1C(C)(C)C)C(C)(C)C)n1[n]2c(C(C)(C)C)cc1C(C)(C)C)[n]1n(c(C(C)(C)C)cc1C(C)(C)C)C6n1c(cc([n]71)C(C)(C)C)C(C)(C)C)[n]1c(C(C)(C)C)cc(C(C)(C)C)n1C4n1[n]5c(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Li+, Cu+, and Ag+ Oligonuclear Structures with the Sterically Demanding Bis(3,5-tertbutylpyrazol-1-yl)dithioacetate Heteroscorpionate Ligand
• Authors of publication: Irene Bassanetti; Marcello Gennari; Luciano Marchiò; Mattia Terenghi; Lisa Elviri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7007 - 7015
• a: 15.396 ± 0.002 Å
• b: 15.833 ± 0.002 Å
• c: 21.295 ± 0.003 Å
• α: 68.871 ± 0.002°
• β: 83.645 ± 0.003°
• γ: 61.547 ± 0.002°
• Cell volume: 4245.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No