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# Information card for entry 1519736

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Coordinates | 1519736.cif |
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Formula | C44 H36 Cl4 N16 O16 Zn2 |
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Calculated formula | C44 H36 Cl4 N16 O16 Zn2 |

SMILES | [Zn]12345[n]6ccccc6c6[n]3c(ccc6)C(N)=[N]4[N]3[Zn]467([n]8ccccc8c8[n]4c(ccc8)C(N)=[N]6[N]1=C(N)c1[n]2c(ccc1)c1[n]5cccc1)[n]1c(C=3N)cccc1c1[n]7cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |

Title of publication | C44H36Cl4N16O16Zn2 |

Authors of publication | Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. |

Journal of publication | Crystal Structure Report Archive |

Year of publication | 2004 |

Pages of publication | 990 |

a | 17.648 ± 0.003 Å |

b | 12.6089 ± 0.0018 Å |

c | 22.985 ± 0.004 Å |

α | 90° |

β | 90° |

γ | 90° |

Cell volume | 5114.7 ± 1.4 Å^{3} |

Cell temperature | 120 ± 2 K |

Ambient diffraction temperature | 120 ± 2 K |

Number of distinct elements | 6 |

Space group number | 60 |

Hermann-Mauguin space group symbol | P b c n |

Hall space group symbol | -P 2n 2ab |

Residual factor for all reflections | 0.0552 |

Residual factor for significantly intense reflections | 0.0418 |

Weighted residual factors for significantly intense reflections | 0.095 |

Weighted residual factors for all reflections included in the refinement | 0.1018 |

Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |

Diffraction radiation wavelength | 0.71073 Å |

Diffraction radiation type | MoKα |

Has coordinates | Yes |

Has disorder | No |

Has F_{obs} |
No |

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The link is: https://www.crystallography.net/1519736.html

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