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Information card for entry 4123126
Preview
Coordinates | 4123126.cif |
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Original paper (by DOI) | HTML |
Common name | MnBpyDPH Dimer |
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Formula | C56 H50 Mn2 N10 |
Calculated formula | C56 H50 Mn2 N10 |
SMILES | N(Nc1ccccc1)(c1ccccc1)[Mn]12([n]3c(c4[n]1cccc4)cccc3)[NH](c1ccccc1)[Mn]1(N(Nc3ccccc3)c3ccccc3)([n]3ccccc3c3[n]1cccc3)[NH]2c1ccccc1 |
Title of publication | Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement. |
Authors of publication | Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Pages of publication | 141218154447008 |
a | 26.474 ± 0.007 Å |
b | 10.909 ± 0.003 Å |
c | 20.872 ± 0.009 Å |
α | 90° |
β | 127.903 ± 0.005° |
γ | 90° |
Cell volume | 4756 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.094 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/4123126.html
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