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Information card for entry 7706729
Preview
Coordinates | 7706729.cif |
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Original paper (by DOI) | HTML |
Formula | C96 H72 Cl2 N8 O12 Ru2 |
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Calculated formula | C96 H72 Cl2 N8 O12 Ru2 |
Title of publication | Variable electronic structure and spin distribution in bis(2,2'-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- and 4,5-diimido-pyrene. |
Authors of publication | Chatterjee, Madhumita; Mondal, Sudipta; Hazari, Arijit Singha; Záliš, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 12 |
Pages of publication | 4191 - 4201 |
a | 16.1871 ± 0.0004 Å |
b | 25.7337 ± 0.0006 Å |
c | 19.8582 ± 0.0005 Å |
α | 90° |
β | 92.578 ± 0.002° |
γ | 90° |
Cell volume | 8263.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0777 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.1411 |
Weighted residual factors for all reflections included in the refinement | 0.1465 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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