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Information card for entry 4063549
Preview
Coordinates | 4063549.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H64 Cr2 N2 O8 S4 Ta2 |
---|---|
Calculated formula | C62 H64 Cr2 N2 O8 S4 Ta2 |
SMILES | [c]12([c]3([c]4(C)[c]5([Ta]6134([c]25C)([N]#[N][Ta]12345([c]7([c]1([c]4([c]5([c]27C)C)C)C)C)[S](c1ccc(cc1)C)[Cr]([S]3c1ccc(cc1)C)(C#[O])(C#[O])(C#[O])C#[O])[S](c1ccc(cc1)C)[Cr]([S]6c1ccc(cc1)C)(C#[O])(C#[O])(C#[O])C#[O])C)C)C.c1ccccc1 |
Title of publication | Sulfur-Bridged Ta‒M (M = Mo, Cr) Multinuclear Complexes Bearing a Four-Electron-Reduced Dinitrogen Ligand |
Authors of publication | Takada, Ryoichi; Hirotsu, Masakazu; Nishioka, Takanori; Hashimoto, Hideki; Kinoshita, Isamu |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 16 |
Pages of publication | 4232 |
a | 12.0474 ± 0.001 Å |
b | 12.0476 ± 0.001 Å |
c | 13.151 ± 0.0011 Å |
α | 112.933 ± 0.001° |
β | 110.058 ± 0.0007° |
γ | 101.545 ± 0.0013° |
Cell volume | 1523.4 ± 0.2 Å3 |
Cell temperature | 193.1 K |
Ambient diffraction temperature | 193.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0302 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.0562 |
Weighted residual factors for all reflections included in the refinement | 0.0581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71075 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/4063549.html
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Users of the data should acknowledge the original authors of the
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