Information card for entry 4319492

Structure parameters

• Common name: Bis(potassium([2.2.2]-cryptand)) bis(maleonitrilediselenolato)copper(II)
• Formula: C44 H72 Cu K2 N8 O12 Se4
• Calculated formula: C44 H72 Cu K2 N8 O12 Se4
• SMILES: [K]1234567[O]8CC[O]1CC[N]21CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.[K]1234567[O]8CC[O]1CC[N]21CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.[Cu]12([Se]C(=C(C#N)[Se]1)C#N)[Se]C(=C(C#N)[Se]2)C#N
• 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: 12.211 ± 0.002 Å
• b: 16.086 ± 0.003 Å
• c: 15.158 ± 0.003 Å
• α: 90°
• β: 107.05 ± 0.03°
• γ: 90°
• Cell volume: 2846.6 ± 1 ų
• Cell temperature: 154 ± 2 K
• Ambient diffraction temperature: 154 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No