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Information card for entry 7038616
Preview
Coordinates | 7038616.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H32 F3 Mn N4 O7 S |
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Calculated formula | C25 H32 F3 Mn N4 O7 S |
SMILES | COc1cc2c(cc1)O[Mn]1345[N](=C2)CCC[NH]1CC[NH]3CCC[N]4=Cc1cc(OC)ccc1O5.S(=O)(=O)([O-])C(F)(F)F |
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 | 21.107 ± 0.009 Å |
b | 8.4 ± 0.004 Å |
c | 17.288 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3065 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.107 |
Residual factor for significantly intense reflections | 0.0909 |
Weighted residual factors for significantly intense reflections | 0.2628 |
Weighted residual factors for all reflections included in the refinement | 0.2935 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.331 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7038616.html
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