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Information card for entry 4107617
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Coordinates | 4107617.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Mn(PaPy~2~Q)(OH)]ClO~4~ . CH~3~CN |
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Chemical name | hydroxo(N,N-bis(2-pyridylmethyl)amine-N-ethyl-2-quinoline-2- carboxamido)manganese(III) perchlorate acetonitrile solvate |
Formula | C26 H26 Cl Mn N6 O6 |
Calculated formula | C26 H26 Cl Mn N6 O6 |
SMILES | [Mn]1234(O)[n]5c6ccccc6ccc5C(=O)N1CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].N#CC |
Title of publication | Near-Infrared Light Activated Release of Nitric Oxide from Designed Photoactive Manganese Nitrosyls: Strategy, Design, and Potential as NO Donors |
Authors of publication | Aura A. Eroy-Reveles; Yvonne Leung; Christine M. Beavers; Marilyn M. Olmstead; Pradip K. Mascharak |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 4447 - 4458 |
a | 8.059 ± 0.002 Å |
b | 14.32 ± 0.004 Å |
c | 11.9 ± 0.004 Å |
α | 90° |
β | 105.66 ± 0.03° |
γ | 90° |
Cell volume | 1322.3 ± 0.7 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0702 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
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/4107617.html
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Users of the data should acknowledge the original authors of the
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