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Information card for entry 4083992
Preview
Coordinates | 4083992.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H30 Fe4 O2 |
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Calculated formula | C28 H30 Fe4 O2 |
SMILES | [Fe]12345678([Fe]9%10%11%12%13%14%15%16([Fe]%17%18%19%20%21%22%23([Fe]%24%25%26%2719([CH]3%18[CH]2%10%17)([C]4%11=O)([C]%12%19=O)[c]1([cH]%27[cH]%26[cH]%25[cH]%241)C)[c]1([cH]%23[cH]%22[cH]%21[cH]%201)C)[c]1([cH]%13[cH]%14[cH]%15[cH]%161)C)[c]1([cH]5[cH]6[cH]7[cH]81)C |
Title of publication | Stepwise Reduction of Four Carbonyl Ligands in (η5-C5H4Me)4Fe4(μ3-CO)4To Produce Clusters Containing μ3-Methylidyne and/or Acetylene Ligands |
Authors of publication | Okazaki, Masaaki; Ohtani, Takeo; Takano, Masato; Ogino, Hiroshi |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Journal issue | 17 |
Pages of publication | 4055 |
a | 9.353 ± 0.001 Å |
b | 15.634 ± 0.001 Å |
c | 32.792 ± 0.004 Å |
α | 90° |
β | 98.174 ± 0.008° |
γ | 90° |
Cell volume | 4746.3 ± 0.8 Å3 |
Cell temperature | 150.2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for all reflections included in the refinement | 0.0426 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.821 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083992.html
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Users of the data should acknowledge the original authors of the
structural data.