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Information card for entry 7035608
Preview
Coordinates | 7035608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C83 H85 Ni2 P2 S2 |
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Calculated formula | C80 H78 Ni2 P2 S2 |
SMILES | [Ni]12([Ni]345([S]1c1c(cc(cc1c1c(C)cc(cc1C)C)C(C)(C)C)c1[cH]4[cH]5c(c4c([S]23)c(c2c(cc(cc2C)C)C)cc(C(C)(C)C)c4)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Binuclear complexes of Ni(i) from 4-terphenyldithiophenol. |
Authors of publication | Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 29 |
Pages of publication | 13315 - 13324 |
a | 11.9127 ± 0.0003 Å |
b | 21.186 ± 0.0005 Å |
c | 28.2328 ± 0.0007 Å |
α | 77.625 ± 0.001° |
β | 86.185 ± 0.001° |
γ | 86.306 ± 0.001° |
Cell volume | 6935.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/7035608.html
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Users of the data should acknowledge the original authors of the
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