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Information card for entry 4300009
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Coordinates | 4300009.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(potassium-[2.2.2]-cryptand) bis(maleonitrilediselenolate)nickelate(ii) |
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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 Å3 |
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 |
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