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Information card for entry 7209325
Preview
Coordinates | 7209325.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 Mn N10 O2 S2 |
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Calculated formula | C12 H12 Mn N10 O2 S2 |
SMILES | [OH2][Mn](N=C=S)([n]1cnn2c1nccc2)([OH2])(N=C=S)[n]1cnn2cccnc12 |
Title of publication | Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine |
Authors of publication | Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Pages of publication | 3038 - 3045 |
a | 8.6882 ± 0.0007 Å |
b | 12.6477 ± 0.001 Å |
c | 9.0639 ± 0.0007 Å |
α | 90° |
β | 111.736 ± 0.001° |
γ | 90° |
Cell volume | 925.18 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0316 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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