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Information card for entry 7036161
Preview
Coordinates | 7036161.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H33 Cl3 Fe N4 O5 |
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Calculated formula | C24 H33 Cl3 Fe N4 O5 |
SMILES | [Fe]12345678([c]9(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)[cH]1[cH]2[cH]3[cH]49)[c]1(NC(=O)[C@@H](NC(=O)C)C)[cH]5[cH]6[cH]7[cH]81.C(Cl)(Cl)Cl |
Title of publication | The conjugates of ferrocene-1,1'-diamine and amino acids. A novel synthetic approach and conformational analysis. |
Authors of publication | Kovačević, Monika; Kodrin, Ivan; Cetina, Mario; Kmetič, Ivana; Murati, Teuta; Semenčić, Mojca Čakić; Roca, Sunčica; Barišić, Lidija |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 37 |
Pages of publication | 16405 - 16420 |
a | 8.9475 ± 0.0004 Å |
b | 16.3934 ± 0.0011 Å |
c | 20.8167 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3053.4 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1007 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.155 |
Weighted residual factors for all reflections included in the refinement | 0.1803 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
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/7036161.html
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Users of the data should acknowledge the original authors of the
structural data.