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Information card for entry 1540652
Preview
Coordinates | 1540652.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H63 Br6 Fe3 N9 |
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Calculated formula | C27 H63 Br6 Fe3 N9 |
SMILES | [Br]1[Fe]234([Br][Fe]561([Br]2)[N]1(C)CC[N]5(CC[N]6(CC1)C)C)[N]1(CC[N]3(C)CC[N]4(CC1)C)C.Br[Fe]12(Br)(Br)[N]3(C)CC[N]1(C)CC[N]2(CC3)C |
Title of publication | Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts |
Authors of publication | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo |
Journal of publication | Polym. Chem. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 5 |
Pages of publication | 1037 |
a | 22.0243 ± 0.0016 Å |
b | 16.0659 ± 0.0011 Å |
c | 23.6931 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8383.6 ± 1 Å3 |
Cell temperature | 113 K |
Ambient diffraction temperature | 113 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0661 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1372 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
Diffraction radiation wavelength | 0.71075 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/1540652.html
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