Information card for entry 4319491

Structure parameters

• Formula: C62 H108 Ag N10 Na3 O18 S4
• Calculated formula: C62 H108 Ag N10 Na3 O18 S4
• SMILES: C1(=C(C#N)S[Ag]2(S1)SC(=C(S2)C#N)C#N)C#N.C1C[O]2CC[O]3CC[N]45CC[O]6[Na]235789[O](CC[O]7CC[N]18CC[O]9CC6)CC4.C1C[O]2CC[O]3CC[N]45CC[O]6[Na]235789[O](CC[O]7CC[N]18CC[O]9CC6)CC4.C1C[O]2CC[O]3CC[N]45CC[O]6[Na]235789[O](CC[O]7CC[N]18CC[O]9CC6)CC4
• Title of publication: Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]
• Authors of publication: Craig C. McLauchlan; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1809 - 1815
• a: 11.547 ± 0.002 Å
• b: 11.766 ± 0.002 Å
• c: 27.774 ± 0.006 Å
• α: 90°
• β: 91.85 ± 0.03°
• γ: 90°
• Cell volume: 3771.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.538
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No