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Information card for entry 1542463
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| Coordinates | 1542463.cif |
|---|---|
| Structure factors | 1542463.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V) |
|---|---|
| Formula | C48 H40 Mo4 O16 P4 |
| Calculated formula | C48 H40 Mo4 O16 P4 |
| SMILES | [Mo]12345([Mo]6789([O]1[Mo]1%10([Mo]([O]46)([O]51)([O]7%10)(=O)([O]=P(O8)(c1ccccc1)c1ccccc1)OP(=[O]3)(c1ccccc1)c1ccccc1)(=O)([O]=P(O2)(c1ccccc1)c1ccccc1)OP(=[O]9)(c1ccccc1)c1ccccc1)=O)=O |
| Title of publication | Tetrakis(μ~2~-diphenylphosphinato-κ^2^<i>O</i>,<i>O</i>')tetra-μ~3~-oxido-tetraoxidohexamolybdenum(V) |
| Authors of publication | Mota Merelo de Aguiar, Sara Raquel; Stöger, Berthold; Weil, Matthias; Kirchner, Karl |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160036 |
| a | 16.1061 ± 0.0019 Å |
| b | 19.891 ± 0.002 Å |
| c | 15.254 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4886.9 ± 1.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.272 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542463.cif 1542463.hkl |
| 177511 | 2016-03-04 | cif/ Updating files of 1542463 Original log message: Adding full bibliography for 1542463.cif. |
1542463.cif 1542463.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542463.cif 1542463.hkl |
| 176519 | 2016-02-17 | cif/ hkl/ Adding structures of 1542463 via cif-deposit CGI script. |
1542463.cif 1542463.hkl |
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