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Information card for entry 4073028
Preview
| Coordinates | 4073028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 Mo2 O5 P |
|---|---|
| Calculated formula | C27 H19 Mo2 O5 P |
| SMILES | [Mo]12345([Mo]6789(C#[O])(C#[O])(C#[O])[c]%10([P]1(c1ccccc1)c1ccccc1)[cH]6[cH]7[cH]8[cH]9%10)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51 |
| Title of publication | Synthesis and Structural Characterization of the μ-η1:η5-Ph2PC5H4Ligand-Containing Transition-Metal Cluster and Dinuclear Complexes (μ-η1:η5-Ph2PC5H4)(μ3-S)MFeCo(CO)7(M = Mo, W), (μ-η1:η5-Ph2PC5H4)(μ3-RC)MCo2(CO)7(M = Mo, W; R = Me, Ph), and (μ-η1:η5-Ph2PC5H4)CpMo2(CO)5Obtained from the Studied Isolobal Displacement Reactions |
| Authors of publication | Song, Li-Cheng; Yu, Guang-Ao; Liu, Yang; Yin, Bang-Shao; Zhang, Xiao-Guang; Hu, Qing-Mei |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 8 |
| Pages of publication | 1966 |
| a | 8.0974 ± 0.0018 Å |
| b | 17.001 ± 0.004 Å |
| c | 18.266 ± 0.004 Å |
| α | 90° |
| β | 100.351 ± 0.003° |
| γ | 90° |
| Cell volume | 2473.6 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0294 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30. |
4073028.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073028.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073028.cif |
| 46126 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073028 via cif-deposit CGI script. |
4073028.cif |
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Users of the data should acknowledge the original authors of the
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