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Information card for entry 4509183
Preview
Coordinates | 4509183.cif |
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Original paper (by DOI) | HTML |
Formula | C109.88 H63.88 Cl0.25 Mn N6.88 |
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Calculated formula | C109.875 H63.875 Cl0.25 Mn N6.875 |
Title of publication | Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds |
Authors of publication | Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 1170 |
a | 26.17 ± 0.001 Å |
b | 17.901 ± 0.001 Å |
c | 15.026 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7039.2 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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