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Information card for entry 4075709
Preview
| Coordinates | 4075709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H37 Mo3 O5 P |
|---|---|
| Calculated formula | C32 H37 Mo3 O5 P |
| SMILES | [Mo]123456([Mo]789%10([C]1(=O)[Mo]1%11%12%13(C#[O])(C#[O])[cH]%14[cH]1[cH]%11[cH]%12[cH]%13%14)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]9[cH]%10[cH]7[cH]81)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]31 |
| Title of publication | A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity |
| Authors of publication | Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 1 |
| Pages of publication | 7 |
| a | 9.704 ± 0.003 Å |
| b | 22.494 ± 0.006 Å |
| c | 14.465 ± 0.004 Å |
| α | 90° |
| β | 109.17 ± 0.03° |
| γ | 90° |
| Cell volume | 2982.4 ± 1.6 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| 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 |
|---|---|---|---|
| 178646 (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 4/07/57. |
4075709.cif |
| 131843 | 2015-02-13 | cod/ (robertas@burundukas) Changed comma in the number to a decimal point. Affected only values of '_cell_measurement_theta_min' and '_cell_measurement_theta_max'. codsql 'select codid, message from validation \ where message like "%_cell_measurement_theta_m%\"%,%\"%" ' -NB \ | grep -P '"\d*,\d*"' \ | awk '{print $1}' | uniq | codid2file \ | xargs perl -i -pe \ 's/_cell_measurement_theta_m .* \K \b(\d+),(\d+)\b /$1.$2/xi' |
4075709.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075709.cif |
| 50632 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075706, 4075707, 4075708, 4075709 via cif-deposit CGI script. |
4075709.cif |
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Users of the data should acknowledge the original authors of the
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