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Information card for entry 4324853
Preview
Coordinates | 4324853.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H46 Cl2 Mn2 N8 O16 |
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Calculated formula | C34 H46 Cl2 Mn2 N8 O16 |
SMILES | C1[N]2(CC[N]3(CC(=O)O[Mn]4523(O[Mn]2365([n]5ccccc5C[N]3(CC[N]2(CC(=O)O6)C)Cc2ncccc2)O4)[n]2ccccc12)C)Cc1ccccn1.Cl(=O)(=O)(=O)[O-].O.Cl(=O)(=O)(=O)[O-].O |
Title of publication | Mechanistic Studies on the Water-Oxidizing Reaction of Homogeneous Manganese-Based Catalysts: Isolation and Characterization of a Suggested Catalytic Intermediate |
Authors of publication | Gustav Berggren; Anders Thapper; Ping Huang; Lars Eriksson; Stenbjörn Styring; Magnus F. Anderlund |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 3425 - 3430 |
a | 10.347 ± 0.019 Å |
b | 18.283 ± 0.017 Å |
c | 10.754 ± 0.009 Å |
α | 90° |
β | 95.91 ± 0.09° |
γ | 90° |
Cell volume | 2024 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0644 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.1624 |
Weighted residual factors for all reflections included in the refinement | 0.1665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.9083 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4324853.html
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