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Information card for entry 7040285
Preview
Coordinates | 7040285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H108 Fe2 N8 O6.5 |
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Calculated formula | C84 H96 Fe2 N8 O5 |
SMILES | c12c(C(C)(C)C)cc(C(C)(C)C)cc2C=[N]2c3cc4c(cc3[N]3=Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5O[Fe]23(O1)O[Fe]123[N](=Cc5c(c(C(C)(C)C)cc(C(C)(C)C)c5)O2)c2cc5nc6ccccc6nc5cc2[N]1=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O3)nc1c(n4)cccc1 |
Title of publication | Solid state π-π stacking and higher order dimensional crystal packing, reactivity, and electrochemical behaviour of salphenazine actinide and transition metal complexes. |
Authors of publication | Hardy, E. E.; Eddy, M. A.; Maynard, B. A.; Gorden, A. E. V. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 36 |
Pages of publication | 14243 - 14251 |
a | 18.9491 ± 0.0003 Å |
b | 41.342 ± 0.0007 Å |
c | 13.8422 ± 0.0002 Å |
α | 90° |
β | 128.209 ± 0.001° |
γ | 90° |
Cell volume | 8520.7 ± 0.3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0683 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1374 |
Weighted residual factors for all reflections included in the refinement | 0.1465 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.