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Information card for entry 4313422
Preview
Coordinates | 4313422.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TypeIII-Fc4NNiII |
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Formula | C32 H44 Cl2 Fe2 N4 Ni O8 |
Calculated formula | C32 H44 Cl2 Fe2 N4 Ni O8 |
SMILES | C1CC[NH]2CC[N]3([Ni]42[N]1(C[c]12[Fe]56789%10%11([cH]1[cH]5[cH]6[cH]27)[cH]1[cH]8[cH]9[cH]%10[cH]%111)CC[NH]4CCC3)C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Thermically and Electrochemically Induced Isomerization of a (Bis(ferrocene)-cyclam)copper(II) Complex |
Authors of publication | Christophe Bucher; Jean-Claude Moutet; Jacques Pécaut; Guy Royal; Eric Saint-Aman; Fabrice Thomas; Stéphane Torelli; Mihaela Ungureanu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2242 - 2252 |
a | 11.166 ± 0.008 Å |
b | 8.855 ± 0.002 Å |
c | 17.434 ± 0.015 Å |
α | 90° |
β | 90.07 ± 0.08° |
γ | 90° |
Cell volume | 1724 ± 2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4313422.html
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Users of the data should acknowledge the original authors of the
structural data.