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Information card for entry 4105289
Preview
| Coordinates | 4105289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H90 O Pt Zn8 |
|---|---|
| Calculated formula | C52 H90 O Pt Zn8 |
| SMILES | [c]12([c]3([c]4([c]5([c]1([Zn]1672345[Pt]234589[Zn]%10%11%12%13%14%15([c]%16([c]%10([c]%11([c]%12([c]%13%16C)C)C)C)C)[Zn]%10%113(CC)[Zn]312(CC)[Zn]12%12%134%10([c]4([c]1([c]2([c]%12([c]%134C)C)C)C)C)[Zn]68%14(CC)[Zn]79%15(CC)[Zn]12465%113[c]3([c]1([c]2([c]4([c]63C)C)C)C)C)C)C)C)C)C.O(CC)CC |
| Title of publication | Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands |
| Authors of publication | Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16063 - 16077 |
| a | 17.2256 ± 0.0003 Å |
| b | 17.7766 ± 0.0003 Å |
| c | 18.5676 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5685.63 ± 0.17 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178798 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52. |
4105289.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105289.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105289.cif |
| 30484 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105289 via cif-deposit CGI script. |
4105289.cif |
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Users of the data should acknowledge the original authors of the
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