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Information card for entry 7037882
Preview
Coordinates | 7037882.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H50 Cl4 Cu2 Fe2 I2 N2 Se4 |
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Calculated formula | C44 H50 Cl4 Cu2 Fe2 I2 N2 Se4 |
SMILES | [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[Se]1CC[N]2(CC[Se]([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]5([cH]4[cH]9[cH]%10[cH]%115)[Se]4CC[N]5(CC[Se]3[Cu]45I)Cc3ccccc3)[Cu]12I)Cc1ccccc1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Macrocyclic Se4N2[7,7]ferrocenophane and Se2N[10]ferrocenophane containing benzyl unit: synthesis, complexation, crystal structures, electrochemical and optical properties. |
Authors of publication | Qu, Jian; Song, Yinglin; Ji, Wei; Jing, Su; Zhu, Dunru; Huang, Wei; Zheng, Mengxi; Li, Yanle; Ma, Jing |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3417 - 3428 |
a | 10.4214 ± 0.0017 Å |
b | 11.3687 ± 0.0018 Å |
c | 12.1274 ± 0.0019 Å |
α | 117.235 ± 0.002° |
β | 92.895 ± 0.002° |
γ | 97.974 ± 0.002° |
Cell volume | 1254.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0493 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7037882.html
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