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Information card for entry 7107578
Preview
Coordinates | 7107578.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H44 Mo2 O4 |
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Calculated formula | C46 H44 Mo2 O4 |
SMILES | c1(c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)[Mo]12[O]=CO[Mo]2(c2c(cccc2c2c(cccc2C)C)c2c(cccc2C)C)[O]=CO1 |
Title of publication | Four-Coordinate Quadruply Bonded Dimolybdenum Complexes with Carboxylate and Terphenyl Ligands |
Authors of publication | Mario Carrasco; Michelle Faust; Riccardo Peloso; Amor Rodriguez; J.Lopez-Serrano; Eleuterio Alvarez; Celia Maya; Philip P. Power; Ernesto Carmona |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 3954 - 3956 |
a | 8.3268 ± 0.0004 Å |
b | 20.3348 ± 0.0009 Å |
c | 11.127 ± 0.0004 Å |
α | 90° |
β | 98.516 ± 0.002° |
γ | 90° |
Cell volume | 1863.29 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0703 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.0972 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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