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Information card for entry 7033781
Preview
Coordinates | 7033781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H60 Cl12 N14 Zn2 |
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Calculated formula | C36 H60 Cl12 N14 Zn2 |
SMILES | c12c([N](=C(N(C)C)N(C)C)[Zn]([N]2=C(N(C)C)N(C)C)(Cl)Cl)cc2c(c1)nc1cc3c(cc1n2)[N](=C(N(C)C)N(C)C)[Zn]([N]3=C(N(C)C)N(C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
Title of publication | Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination. |
Authors of publication | Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 7 |
Pages of publication | 3467 - 3485 |
a | 13.162 ± 0.003 Å |
b | 13.499 ± 0.003 Å |
c | 16.472 ± 0.003 Å |
α | 90° |
β | 108.3 ± 0.03° |
γ | 90° |
Cell volume | 2778.6 ± 1.1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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