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Information card for entry 4083727
Preview
Coordinates | 4083727.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 Fe N4 O6.5 |
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Calculated formula | C40 H40 Fe N4 O6.5 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)N[C@H](C(=O)OC)Cc1c[nH]c2ccccc12)[c]1([cH]5[cH]6[cH]7[cH]81)C(=O)N[C@H](C(=O)OC)Cc1c[nH]c2ccccc12.c1(ccccc1)C.OC |
Title of publication | Bis-amino Acid Derivatives of 1,1′-Ferrocenedicarboxylic Acid: Structural, Electrochemical, and Metal Ion Binding Studies |
Authors of publication | Adhikari, Bimalendu; Lough, Alan J.; Barker, Bryan; Shah, Afzal; Xiang, Cuili; Kraatz, Heinz-Bernhard |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 18 |
Pages of publication | 4873 |
a | 11.408 ± 0.0005 Å |
b | 21.0641 ± 0.0008 Å |
c | 30.1038 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7233.9 ± 0.5 Å3 |
Cell temperature | 147 ± 2 K |
Ambient diffraction temperature | 147 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1167 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4083727.html
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Users of the data should acknowledge the original authors of the
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