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Information card for entry 1505700
Preview
Coordinates | 1505700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 Li Ni O8 S10 |
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Calculated formula | C22 H32 Li Ni O8 S10 |
SMILES | [Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[O]12CC[O]3CC[O](CC[O]4CC1)[Li]123456[O]7CC[O]5CC[O]6CC[O]1CC7 |
Title of publication | Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. |
Authors of publication | Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2006 |
Journal volume | 110 |
Journal issue | 12 |
Pages of publication | 5897 - 5904 |
a | 12.12 ± 0.03 Å |
b | 20.95 ± 0.05 Å |
c | 27.35 ± 0.05 Å |
α | 90.87 ± 0.19° |
β | 91.28 ± 0.18° |
γ | 103.59 ± 0.18° |
Cell volume | 6747 ± 3 Å3 |
Cell temperature | 296.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.3736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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