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Information card for entry 7027878
Preview
Coordinates | 7027878.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H48 Mo2 N4 O14 |
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Calculated formula | C28 H48 Mo2 N4 O14 |
SMILES | c12c(cccn1CC(=O)OC)O[Mo]1([O]=2)(=O)(O[Mo]2([O]=c3c(cccn3CC(=O)OC)O2)(=O)(O1)=O)=O.C([NH+](CC)CC)C.C([NH+](CC)CC)C |
Title of publication | Synthesis and characterisation of cis-dioxomolybdenum(vi) complexes of N-substituted 3-hydroxy-2-pyridinonesElectronic supplementary information (ESI) available: ORTEP plot and structural details of [MoO2(Lb)2]. See http://www.rsc.org/suppdata/dt/b4/b407221a/ |
Authors of publication | Brown, Emma J.; Whitwood, Adrian C.; Walton, Paul H.; Duhme-Klair, Anne-K. |
Journal of publication | Dalton Transactions |
Year of publication | 2004 |
Journal issue | 16 |
Pages of publication | 2458 - 2462 |
a | 10.0526 ± 0.0005 Å |
b | 14.6016 ± 0.0007 Å |
c | 12.0634 ± 0.0005 Å |
α | 90° |
β | 91.556 ± 0.001° |
γ | 90° |
Cell volume | 1770.06 ± 0.14 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 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 | 0.0277 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0683 |
Weighted residual factors for all reflections included in the refinement | 0.0705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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