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Information card for entry 7203557
Preview
Coordinates | 7203557.cif |
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Original paper (by DOI) | HTML |
Chemical name | Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]manganese(II) dimethanol solvate (1.2CH~3~OH) |
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Formula | C18 H24 Cl2 Mn N8 O2 |
Calculated formula | C18 H24 Cl2 Mn N8 O2 |
SMILES | c1cccc2c3cc([nH][n]3[Mn]3([n]12)(Cl)([n]1ccccc1c1cc([nH][n]31)N)Cl)N.CO.CO |
Title of publication | Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole |
Authors of publication | Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A. |
Journal of publication | CrystEngComm |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 9 |
Pages of publication | 719 |
a | 18.9615 ± 0.0003 Å |
b | 11.942 ± 0.0003 Å |
c | 12.8415 ± 0.0002 Å |
α | 90° |
β | 125.675 ± 0.001° |
γ | 90° |
Cell volume | 2362.13 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0468 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1239 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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