Information card for entry 4319490

Structure parameters

• Common name: Tris(potassium[2.2.2]-cryptand) bis(maleonitrilediselenolato)silver(I)
• Chemical name: Tris(potassium(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo-[8.8.8]hexacosane)) bis(1,2-dicyano-1,2-Se-Se'-diselenato-ethylene)silver(I)
• Formula: C66 H114 Ag K3 N12 O18 Se4
• Calculated formula: C66 H114 Ag K3 N12 O18 Se4
• SMILES: [Ag]12([Se]C(=C([Se]1)C#N)C#N)[Se]C(=C([Se]2)C#N)C#N.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.C(#N)C.C(#N)C
• 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: 13.9974 ± 0.001 Å
• b: 21.8664 ± 0.0016 Å
• c: 28.2808 ± 0.0017 Å
• α: 90°
• β: 97.723 ± 0.002°
• γ: 90°
• Cell volume: 8577.5 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No