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Information card for entry 4070812
Preview
| Coordinates | 4070812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H40 B Cl2 F4 Mo2 O6 P Ru |
|---|---|
| Calculated formula | C31 H40 B Cl2 F4 Mo2 O6 P Ru |
| SMILES | [Mo]12345678([Mo]9%10%11%12%13([Ru]1([C]3OC)(C4%13OC)(C#[O])(C#[O])C#[O])([P]2(C1CCCCC1)C1CCCCC1)([cH]1[cH]9[cH]%11[cH]%10[cH]%121)C#[O])[cH]1[cH]7[cH]8[cH]5[cH]61.[B](F)(F)(F)[F-].ClCCl |
| Title of publication | Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 3. Formation and Cleavage of C−C and C−O Bonds in the Reactions of the Complexes [Mo2Cp2(µ-COMe)(µ-COR)(µ-PCy2)]BF4(R = Me, Et) |
| Authors of publication | García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 543 |
| a | 17.9342 ± 0.0009 Å |
| b | 14.7605 ± 0.0005 Å |
| c | 13.571 ± 0.0007 Å |
| α | 90° |
| β | 99.491 ± 0.002° |
| γ | 90° |
| Cell volume | 3543.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0599 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (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 4/07/08. |
4070812.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070812.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070812.cif |
| 42720 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070810, 4070811, 4070812 via cif-deposit CGI script. |
4070812.cif |
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