Information card for entry 4300009

Structure parameters

• Common name: bis(potassium-[2.2.2]-cryptand) bis(maleonitrilediselenolate)nickelate(ii)
• Chemical name: bis(potassium-4,7,13,16,21,24-hexaoxa-1,10-diazobicyclo[8.8.8]hexacosane) bis(cis-1,2-dicyano,1,2-diselenato-ethene-Se-Se')nickelate(ii)
• Formula: C44 H72 K2 N8 Ni O12 Se4
• Calculated formula: C44 H72 K2 N8 Ni O12 Se4
• SMILES: C1(=C(C#N)[Se][Ni]2([Se]1)[Se]C(=C(C#N)[Se]2)C#N)C#N.[K]1234567[O]8CC[O]1CC[N]12CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.[K]1234567[O]8CC[O]1CC[N]12CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1
• Title of publication: Facile Syntheses and Structures of New Metal-Maleonitrilediselenolates [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)(Se6)], [K([2.2.2]-cryptand)]2[Ni(Se2C2(CN)2)2], and Ni(dppp)(Se2C2(CN)2)
• Authors of publication: Craig C. McLauchlan; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1046 - 1048
• a: 12.2196 ± 0.0011 Å
• b: 15.8602 ± 0.0015 Å
• c: 15.3055 ± 0.0014 Å
• α: 90°
• β: 107.644 ± 0.002°
• γ: 90°
• Cell volume: 2826.7 ± 0.5 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: 0.0791
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No