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Information card for entry 7032790
Preview
Coordinates | 7032790.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H20 N Ni S10 |
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Calculated formula | C18 H20 N Ni S10 |
SMILES | C12=C(S[Ni]3(S1)SC1=C(S3)SC(=S)S1)SC(=S)S2.C[N+](C)(C)CCCc1ccccc1 |
Title of publication | Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts. |
Authors of publication | Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 45 |
Pages of publication | 17067 - 17074 |
a | 8.2706 ± 0.0009 Å |
b | 12.0647 ± 0.0013 Å |
c | 25.316 ± 0.003 Å |
α | 98.184 ± 0.001° |
β | 95.131 ± 0.001° |
γ | 92.056 ± 0.001° |
Cell volume | 2487.3 ± 0.5 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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