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Information card for entry 2242010
Preview
Coordinates | 2242010.cif |
---|---|
Structure factors | 2242010.hkl |
Original IUCr paper | HTML |
Chemical name | Tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~)rubidium] rubidium nonastannide |
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Formula | C54 H108 N6 O18 Rb4 Sn9 |
Calculated formula | C54 H108 N6 O18 Rb4 Sn9 |
SMILES | [Sn]1234[Sn]567[Sn]891[Sn]126[Sn]268[Sn]859[Sn]537[Sn]412[Sn]568.[Rb+].[Rb+].[Rb]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[Rb]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[Rb]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9 |
Title of publication | Crystal structure of tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^<i>N</i>~2~,<i>O</i>~6~)rubidium] rubidium nonastannide |
Authors of publication | Klein, Wilhelm; He, Haiyan; Fässler, Thomas F. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | 2 |
Pages of publication | 147 - 151 |
a | 15.7287 ± 0.0008 Å |
b | 16.153 ± 0.001 Å |
c | 20.2896 ± 0.0008 Å |
α | 98.782 ± 0.004° |
β | 104.35 ± 0.004° |
γ | 118.407 ± 0.006° |
Cell volume | 4165.4 ± 0.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.183 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.0935 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.622 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2242010.html
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