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Information card for entry 7038619
Preview
Coordinates | 7038619.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H32 Mn N5 O7 |
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Calculated formula | C24 H32 Mn N5 O7 |
SMILES | COc1ccc2c(c1)C=[N]1CCC[NH]3CC[NH]4CCC[N]5=Cc6cc(OC)ccc6O[Mn]1345O2.N(=O)(=O)[O-] |
Title of publication | Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands. |
Authors of publication | Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 13 |
Pages of publication | 5676 - 5688 |
a | 8.1183 ± 0.0016 Å |
b | 15.286 ± 0.003 Å |
c | 20.484 ± 0.004 Å |
α | 90° |
β | 100.528 ± 0.004° |
γ | 90° |
Cell volume | 2499.2 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0643 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1362 |
Weighted residual factors for all reflections included in the refinement | 0.1382 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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