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Information card for entry 4084237
Preview
Coordinates | 4084237.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H78 N4 P4 Ru2 |
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Calculated formula | C84 H78 N4 P4 Ru2 |
SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#CC(=C(C#N)C#N)C(=C(C#N)C#N)C#C[Ru]16789([P](c%10ccccc%10)(c%10ccccc%10)CC[P]1(c1ccccc1)c1ccccc1)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
Title of publication | From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch |
Authors of publication | Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 16 |
Pages of publication | 4209 |
a | 14.8635 ± 0.0008 Å |
b | 18.5242 ± 0.001 Å |
c | 25.6428 ± 0.0013 Å |
α | 90° |
β | 98.6 ± 0.001° |
γ | 90° |
Cell volume | 6981 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1018 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
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/4084237.html
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Users of the data should acknowledge the original authors of the
structural data.