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Information card for entry 4101303
Preview
Coordinates | 4101303.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H80 K2 N4 O12 Pb12 Pd |
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Calculated formula | C43 H80 K2 N4 O12 Pb12 Pd |
SMILES | [Pb]12345[Pb]6789[Pb]%10%11%121[Pb]1%13%142[Pb]2%15%163[Pb]3%1746[Pb]46%187[Pb]7%198%10[Pb]8%10%111[Pb]1%11%132[Pb]2%1534[Pb]6781[Pd]59%12%14%16%17%18%19%10%112.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.c1(ccccc1)C |
Title of publication | The Pb12(2-) and Pb10(2-) zintl ions and the M@Pb12(2-) and M@Pb10(2-) cluster series where M = Ni, Pd, Pt. |
Authors of publication | Esenturk, Emren N; Fettinger, James; Eichhorn, Bryan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Journal issue | 28 |
Pages of publication | 9178 - 9186 |
a | 13.59 ± 0.0011 Å |
b | 13.9389 ± 0.0011 Å |
c | 22.1236 ± 0.0017 Å |
α | 72.1144 ± 0.0015° |
β | 85.2884 ± 0.0016° |
γ | 64.1532 ± 0.0015° |
Cell volume | 3582.8 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1014 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.156 |
Weighted residual factors for all reflections included in the refinement | 0.1671 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4101303.html
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Users of the data should acknowledge the original authors of the
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