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Information card for entry 2012010
Preview
| Coordinates | 2012010.cif |
|---|---|
| Structure factors | 2012010.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,7-diphenyl-1,10-phenanthrolinetetracarbonylmolybdenum |
|---|---|
| Formula | C28 H16 Mo N2 O4 |
| Calculated formula | C28 H16 Mo N2 O4 |
| SMILES | [Mo]1([n]2ccc(c3ccc4c(cc[n]1c4c23)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | A molybdenum complex with 4,7-diphenyl-1,10-phenanthroline |
| Authors of publication | Xie, Xiang-Jin; Jin, Xiang-Lin; Tang, Ka-Luo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 696 - 697 |
| a | 9.8354 ± 0.0001 Å |
| b | 7.5648 ± 0.0001 Å |
| c | 31.1172 ± 0.0004 Å |
| α | 90° |
| β | 94.4628 ± 0.0004° |
| γ | 90° |
| Cell volume | 2308.19 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for all reflections included in the refinement | 0.0536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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