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Information card for entry 7010473
Preview
Coordinates | 7010473.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H23 Cr Mo2 N O7 |
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Calculated formula | C28 H23 Cr Mo2 N O7 |
SMILES | [Mo]12345([cH]6[cH]2[cH]5[cH]4[cH]36)(C#[O])(C#[O])[C]2(CN(C)C)[Mo]3456([C]1=2[c]12[Cr]789%10([cH]1[cH]7[cH]%10[cH]8[cH]29)(C#[O])(C#[O])C#[O])([cH]1[cH]3[cH]4[cH]5[cH]61)(C#[O])C#[O] |
Title of publication | Heterometallic metal carbonyl compounds derived from (η6-arene)tricarbonylchromium bearing propargyl units |
Authors of publication | Casagrande, Jr., Osvaldo L.; Gomes, Elton L. S.; Dupont, Jairton; Burrow, Robert; Lough, Alan J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 10 |
Pages of publication | 1634 |
a | 8.8575 ± 0.0006 Å |
b | 17.2298 ± 0.001 Å |
c | 17.6676 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2696.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0583 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1113 |
Weighted residual factors for all reflections included in the refinement | 0.118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7010473.html
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Users of the data should acknowledge the original authors of the
structural data.