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Information card for entry 7000084
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Coordinates | 7000084.cif |
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Original paper (by DOI) | HTML |
Common name | (Fe6O2(OH)2(benz)10(dipaH2)2).5.5MeCN.H2O |
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Formula | C93 H96.5 Fe6 N7.5 O29 |
Calculated formula | C85 H82.5 Fe6 N3.5 O29 |
Title of publication | The role of diisopropanolamine (dipaH3) in cluster dimerisation and polymerisation: from spin frustrated S= 5 FeIII 6 clusters to the novel 1-D covalent polymer of mixed valence [CoII3CoIII] tetramers. |
Authors of publication | Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Cashion, John D.; Berry, Kevin J.; Murray, Keith S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 20 |
Pages of publication | 3344 - 3352 |
a | 14.2496 ± 0.0002 Å |
b | 14.3706 ± 0.0002 Å |
c | 23.831 ± 0.0003 Å |
α | 90° |
β | 104.378 ± 0.001° |
γ | 90° |
Cell volume | 4727.15 ± 0.11 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0729 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1466 |
Weighted residual factors for all reflections included in the refinement | 0.1576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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