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Information card for entry 7039443
Preview
Coordinates | 7039443.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H52 Fe N7 O2 S6 |
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Calculated formula | C42 H52 Fe N7 O2 S6 |
SMILES | CSC1=C(SC)SC(=C2Sc3c(cc4c(c3)N3C(=O)c5cccc[n]5[Fe]53(C#N)(C#N)N4C(=O)c3cccc[n]53)S2)S1.C(CCC)[N+](CCCC)(CCCC)CCCC |
Title of publication | Chiral heterobimetallic chains from a dicyanideferrite building block including a π-conjugated TTF annulated ligand. |
Authors of publication | Cui, Long; Lv, Zhong-Peng; Leong, Chanel F.; Ru, Jing; D'Alessandro, Deanna M; Song, You; Zuo, Jing-Lin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 42 |
Pages of publication | 16575 - 16584 |
a | 10.823 ± 0.002 Å |
b | 20.388 ± 0.004 Å |
c | 24.414 ± 0.005 Å |
α | 83.518 ± 0.004° |
β | 82.033 ± 0.004° |
γ | 78.424 ± 0.004° |
Cell volume | 5206.5 ± 1.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.1464 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1755 |
Weighted residual factors for all reflections included in the refinement | 0.1968 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039443.html
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