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Information card for entry 2242555
Preview
Coordinates | 2242555.cif |
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Structure factors | 2242555.hkl |
Original IUCr paper | HTML |
Chemical name | (Acetato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)[tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']manganese(II) tetraphenylborate |
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Formula | C45 H45 B Mn N4 O3 |
Calculated formula | C45 H45 B Mn N4 O3 |
SMILES | [Mn]1234([OH]C)([O]=C(O1)C)[n]1c(C[N]2(Cc2[n]3cccc2)Cc2[n]4cccc2)cccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Crystal structure of a seven-coordinate manganese(II) complex with tris(pyridin-2-ylmethyl)amine (TMPA) |
Authors of publication | Frey, Steven T.; Ramirez, Hillary A.; Kaur, Manpreet; Jasinski, Jerry P. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 8 |
Pages of publication | 1075 - 1078 |
a | 11.3885 ± 0.0008 Å |
b | 11.7598 ± 0.0007 Å |
c | 15.6703 ± 0.001 Å |
α | 82.041 ± 0.005° |
β | 70.671 ± 0.006° |
γ | 85.87 ± 0.005° |
Cell volume | 1960.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0751 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1052 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242555.html
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Users of the data should acknowledge the original authors of the
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