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Information card for entry 7030174
Preview
Coordinates | 7030174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H19 Cl N6 O9 Os |
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Calculated formula | C25 H19 Cl N6 O9 Os |
SMILES | [Os]123([n]4ccccc4c4[n]2cccc4)([n]2c(c([nH]c2)C(=O)O)C(=O)O1)[n]1c(c2cccc[n]32)cccc1.Cl(=O)(=O)(=O)[O-].O |
Title of publication | A combined experimental and DFT/TDDFT investigation of structural, electronic, and pH-induced tuning of photophysical and redox properties of osmium(II) mixed-chelates derived from imidazole-4,5-dicarboxylic acid and 2,2'-bipyridine. |
Authors of publication | Das, Shyamal; Saha, Debasish; Mardanya, Sourav; Baitalik, Sujoy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 39 |
Pages of publication | 12296 - 12310 |
a | 15.5762 ± 0.0005 Å |
b | 12.8823 ± 0.0004 Å |
c | 15.1334 ± 0.0004 Å |
α | 90° |
β | 114.679 ± 0.001° |
γ | 90° |
Cell volume | 2759.27 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0416 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0997 |
Weighted residual factors for all reflections included in the refinement | 0.1069 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7030174.html
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