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Information card for entry 2214082
Preview
Coordinates | 2214082.cif |
---|---|
Structure factors | 2214082.hkl |
Original IUCr paper | HTML |
Chemical name | tetra-μ~3~-chlorido-[tetrakis(η^5^-pentamethylcyclopentadienyl)ruthenium(II)] |
---|---|
Formula | C40 H60 Cl4 Ru4 |
Calculated formula | C40 H60 Cl4 Ru4 |
SMILES | [c]12([c]3([c]4([c]5([c]1([Ru]162345[Cl]2[Ru]34578([c]9([c]3([c]4([c]5([c]79C)C)C)C)C)[Cl]1[Ru]13457([c]9([c]1([c]3([c]4([c]59C)C)C)C)C)[Cl]8[Ru]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)[Cl]67)C)C)C)C)C |
Title of publication | A tetragonal polymorph of tetra-μ~3~-chlorido-tetrakis[(η^5^-pentamethylcyclopentadienyl)ruthenium(II)] |
Authors of publication | Jones, Peter G.; Hrib, Cristian G.; Beer, Stephan; Tamm, Matthias |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 7 |
Pages of publication | m1785 - m1785 |
a | 12.0733 ± 0.0008 Å |
b | 12.0733 ± 0.0008 Å |
c | 14.9611 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2180.8 ± 0.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0289 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0477 |
Weighted residual factors for all reflections included in the refinement | 0.0494 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2214082.html
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