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Information card for entry 4312685
Preview
Coordinates | 4312685.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C118 H106 F12 Mn6 N12 O24 S4 |
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Calculated formula | C118 H106 F12 Mn6 N12 O24 S4 |
SMILES | c1cc(cc2c3cc(cc[n]3[Mn]34567([n]12)[O]1[Mn]2895([n]5c(c%10[n]2ccc(c%10)C)cc(cc5)C)(O3)O[Mn]219([n]1c(c3[n]2ccc(c3)C)cc(cc1)C)([O]4[Mn]12347([n]5ccc(cc5c5cc(cc[n]15)C)C)[O]1[Mn]5794([n]4c(c%10[n]5ccc(c%10)C)cc(cc4)C)(O2)O[Mn]219([n]1c(c4[n]2ccc(c4)C)cc(cc1)C)([O]63)[O]=C(O7)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O8)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
Title of publication | A New Class of Oxo-Bridged High-Valent Hexamanganese Clusters Supported by Sterically Hindered Carboxylate Ligands |
Authors of publication | Sumitra Mukhopadhyay; Bhavesh A. Gandhi; Martin L. Kirk; William H. Armstrong |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8171 - 8180 |
a | 15.4471 ± 0.0008 Å |
b | 15.0773 ± 0.0009 Å |
c | 27.7033 ± 0.0017 Å |
α | 90° |
β | 91.679 ± 0.002° |
γ | 90° |
Cell volume | 6449.3 ± 0.6 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1599 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.2012 |
Weighted residual factors for all reflections included in the refinement | 0.2495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4312685.html
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