Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105286
Preview
| Coordinates | 4105286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H72 F0 Ni Zn8 |
|---|---|
| Calculated formula | C44 H72 Ni Zn8 |
| SMILES | [Ni]1234567[Zn]89%10([Zn]%11%121([Zn]1%13%14%1548([Zn]482([Zn]3([Zn]23%16%17594[c]4([c]2([c]3([c]%16([c]%174C)C)C)C)C)([Zn]23456%118[c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([Zn]23457%10%12[c]6([c]5([c]4([c]3([c]26C)C)C)C)C)C)C)[c]2([c]1([c]%13([c]%14([c]%152C)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 | 29.9453 ± 0.0013 Å |
| b | 20.8547 ± 0.0006 Å |
| c | 22.1767 ± 0.0007 Å |
| α | 90° |
| β | 126.644 ± 0.003° |
| γ | 90° |
| Cell volume | 11112.2 ± 0.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.78 |
| 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. |
4105286.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105286.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105286.cif |
| 30481 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105286 via cif-deposit CGI script. |
4105286.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.