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Information card for entry 4341122
Preview
| Coordinates | 4341122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H63 Ni2 Zn8 |
|---|---|
| Calculated formula | C36 H63 Ni2 Zn8 |
| SMILES | [Ni]12345678[Ni]9%10%11%12%13%14%15([Zn]%165([Zn]54([Zn]4%17%18%191([Zn]3([Zn]13%20%2125[c]2([c]1([c]3([c]%20([c]%212C)C)C)C)C)([Zn]7%10%16C)C)[c]1([c]4([c]%17([c]%18([c]%191C)C)C)C)C)([Zn]8%11([Zn]69C)C)C)C)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C |
| Title of publication | Hume-Rothery Phase-Inspired Metal-Rich Molecules: Cluster Expansion of [Ni(ZnMe)6(ZnCp*)2] by Face Capping with Ni(0)(η(6)-toluene) and Ni(I)(η(5)-Cp*). |
| Authors of publication | Molon, Mariusz; Gemel, Christian; Jerabek, Paul; Trombach, Lukas; Frenking, Gernot; Fischer, Roland A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 10403 - 10411 |
| a | 12.3108 ± 0.0013 Å |
| b | 12.7998 ± 0.0015 Å |
| c | 16.8206 ± 0.0019 Å |
| α | 74.1 ± 0.01° |
| β | 69.449 ± 0.01° |
| γ | 86.513 ± 0.009° |
| Cell volume | 2385 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179514 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/11. |
4341122.cif |
| 126979 | 2014-11-12 | cif/ Updating files of 4341122, 4341123 Original log message: Adding full bibliography for 4341122--4341123.cif. |
4341122.cif |
| 124107 | 2014-09-23 | cif/ Adding structures of 4341122, 4341123 via cif-deposit CGI script. |
4341122.cif |
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