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Information card for entry 4331150
Preview
Coordinates | 4331150.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe^II^{(CN)Fe^III^(msalept)}~6~]Cl~2~.10H~2~O |
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Formula | C132 H170 Cl2 Fe7 N24 O34 |
Calculated formula | C132 H150 Fe7 N24 O24 |
SMILES | C([Fe](C#[N][Fe]1234Oc5c(cccc5C=[N]2CC[NH]3CCC[N]4=Cc2cccc(OC)c2O1)OC)(C#[N][Fe]1234Oc5c(cccc5C=[N]2CC[NH]3CCC[N]4=Cc2cccc(OC)c2O1)OC)(C#[N][Fe]1234Oc5c(cccc5C=[N]2CC[NH]3CCC[N]4=Cc2cccc(OC)c2O1)OC)(C#[N][Fe]1234Oc5c(cccc5C=[N]2CC[NH]3CCC[N]4=Cc2cccc(OC)c2O1)OC)C#[N][Fe]1234Oc5c(cccc5C=[N]2CC[NH]3CCC[N]4=Cc2cccc(OC)c2O1)OC)#[N][Fe]1234Oc5c(cccc5C=[N]2CC[NH]3CCC[N]4=Cc2cccc(OC)c2O1)OC |
Title of publication | Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction |
Authors of publication | Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 12755 - 12767 |
a | 29.4119 ± 0.0003 Å |
b | 29.4119 ± 0.0003 Å |
c | 15.435 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 11563.3 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0664 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4331150.html
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