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Information card for entry 4335770
Preview
Coordinates | 4335770.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H27 Cl N4 O2 Ru |
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Calculated formula | C46 H27 Cl N4 O2 Ru |
SMILES | c12n3c4ccc3c(c1cc1C(=c3ccc5=C(c6ccc(=C4c4ccccc4)[n]6[Ru]([n]21)(n35)(C#[O])(C#[O])Cl)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and Isomerization of N-Fused Tetraphenylporphyrin Ruthenium(II) Complexes |
Authors of publication | Motoki Toganoh; Hideaki Matsuo; Ayumi Sato; Yuya Hirashima; Hiroyuki Furuta |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 9613 - 9619 |
a | 14.818 ± 0.008 Å |
b | 12.632 ± 0.006 Å |
c | 20.895 ± 0.011 Å |
α | 90° |
β | 103.401 ± 0.006° |
γ | 90° |
Cell volume | 3805 ± 3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.1167 |
Residual factor for significantly intense reflections | 0.0742 |
Weighted residual factors for significantly intense reflections | 0.1778 |
Weighted residual factors for all reflections included in the refinement | 0.2115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.710747 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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