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Information card for entry 4105285
Preview
| Coordinates | 4105285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H72 Ga Rh Zn7 |
|---|---|
| Calculated formula | C44 H72 Ga Rh Zn7 |
| SMILES | [Rh]1234567[Ga]89%10([Zn]%11%123([Zn]3%13%14%15%164([Zn]41([Zn]23([Zn]123%17584[c]4([c]1([c]2([c]3([c]%174C)C)C)C)C)([Zn]123469%11[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C)([Zn]12347%10%12[c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C)[c]1([c]%16([c]%15([c]%14([c]%131C)C)C)C)C)C)C |
| 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 | 16.9525 ± 0.0007 Å |
| b | 16.583 ± 0.0004 Å |
| c | 23.4379 ± 0.0009 Å |
| α | 90° |
| β | 110.783 ± 0.004° |
| γ | 90° |
| Cell volume | 6160.2 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
| 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. |
4105285.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105285.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105285.cif |
| 30480 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105285 via cif-deposit CGI script. |
4105285.cif |
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