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Information card for entry 7052392
Preview
| Coordinates | 7052392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis(potassium-(4,7,13,1621,24-Hexaoxa-1,10- diazabicyclo(8.8.8)hexacosane))-nonagermanid - ammonia(1/4) |
|---|---|
| Chemical name | Bis[potassium-(4,7,13,1621,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)]- nonagermanid - ammonia(1/4) |
| Formula | C36 H84 Ge5 K2 N8 O12 |
| Calculated formula | C36 H84 Ge5 K2 N8 O12 |
| SMILES | [Ge]12[Ge]34[Ge]51[Ge]23[Ge]45.[K]1234567[O]8CC[O]3CC[N]37CC[O]5CC[O]4CC[N]6(CC[O]2CC[O]1CC3)CC8.[K]1234567[O]8CC[O]2CC[N]27CC[O]4CC[O]3CC[N]6(CC[O]5CC[O]1CC2)CC8.N.N.N.N |
| Title of publication | Ge52? Zintl anions: synthesis and crystal structures of [K([2.2.2]-crypt)]2Ge5?4NH3 and [Rb([2.2.2]-crypt)]2Ge5?4NH3 |
| Authors of publication | Suchentrunk, Christof; Korber, Nikolaus |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2006 |
| Journal volume | 30 |
| Journal issue | 12 |
| Pages of publication | 1737 |
| a | 11.2887 ± 0.0009 Å |
| b | 11.8949 ± 0.0009 Å |
| c | 11.9433 ± 0.0009 Å |
| α | 117.911 ± 0.008° |
| β | 98.65 ± 0.009° |
| γ | 91.797 ± 0.009° |
| Cell volume | 1391.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180077 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/23. |
7052392.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052392.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052392.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7052392.cif |
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