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Information card for entry 4065269
Preview
Coordinates | 4065269.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,1'-Bis(9-adeninylethyl)ferrocene |
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Formula | C24 H24 Fe N10 |
Calculated formula | C24 H24 Fe N10 |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)CCn1cnc2c1ncnc2N)CCn1c2c(c(ncn2)N)nc1 |
Title of publication | 1,1′-Homodisubstituted Ferrocenes Containing Adenine and Thymine Nucleobases: Synthesis, Electrochemistry, and Formation of H-Bonded Arrays |
Authors of publication | Nguyen, Huy V.; Sallustrau, Antoine; Male, Louise; Thornton, Peter J.; Tucker, James H. R. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 19 |
Pages of publication | 5284 |
a | 6.3611 ± 0.0006 Å |
b | 8.0936 ± 0.0011 Å |
c | 20.68 ± 0.003 Å |
α | 90° |
β | 90.135 ± 0.008° |
γ | 90° |
Cell volume | 1064.7 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0932 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1461 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
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/4065269.html
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