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# Information card for entry 4331150

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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 Å^{3} |

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 F_{obs} |
No |

For the version history of this entry, please navigate to main COD server.

The link is: https://www.crystallography.net/4331150.html

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Users of the data should acknowledge the original authors of the
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