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Information card for entry 7016829
Preview
Coordinates | 7016829.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H77 Cd4 N7 O0 Ru S10 |
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Calculated formula | C98 H77 Cd4 N7 Ru S10 |
SMILES | [Ru]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[Cd]12(Sc3ccccc3)[S]([Cd]3(Sc4ccccc4)[S]([Cd]([S]1c1ccccc1)(Sc1ccccc1)[S]([Cd]([S]2c1ccccc1)([S]3c1ccccc1)Sc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CC#N |
Title of publication | Anion-cation charge-transfer properties and spectral studies of [M(phen)(3)][Cd(4)(SPh)(10)] (M = Ru, Fe, and Ni). |
Authors of publication | Jiang, Jian-Bing; Bian, Guo-Qing; Zhang, Ya-Ping; Luo, Wen; Zhu, Qin-Yu; Dai, Jie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 37 |
Pages of publication | 9551 - 9556 |
a | 14.113 ± 0.003 Å |
b | 17.255 ± 0.003 Å |
c | 19.907 ± 0.004 Å |
α | 100.389 ± 0.005° |
β | 102.841 ± 0.006° |
γ | 94.35 ± 0.004° |
Cell volume | 4614.9 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1377 |
Residual factor for significantly intense reflections | 0.0812 |
Weighted residual factors for significantly intense reflections | 0.1282 |
Weighted residual factors for all reflections included in the refinement | 0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
Diffraction radiation wavelength | 0.7107 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/7016829.html
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Users of the data should acknowledge the original authors of the
structural data.