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Information card for entry 7103614
Preview
Coordinates | 7103614.cif |
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Original paper (by DOI) | HTML |
Formula | C93 H61 Cl5 N4 Sn |
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Calculated formula | C93 H61 Cl5 N4 Sn |
SMILES | c12c(c3ccccc3)c(c3n1[Sn]14(n5c(=C(c6[n]1c(=C2c1ccccc1)c(c6c1ccccc1)c1ccccc1)c1ccccc1)c(c1ccccc1)c(c5=C(c1[n]4c(=C3c2ccccc2)c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.C(Cl)(Cl)Cl |
Title of publication | Formation of dodecaphenylporphodimethene via facile protonation of saddle-distorted dodecaphenylporphyrin. |
Authors of publication | Kojima, Takahiko; Hanabusa, Kakeru; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 48 |
Pages of publication | 6513 - 6515 |
a | 11.7235 ± 0.0002 Å |
b | 28.411 ± 0.0007 Å |
c | 21.1529 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7045.5 ± 0.3 Å3 |
Cell temperature | 123.1 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.2358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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