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Information card for entry 7039760
Preview
Coordinates | 7039760.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H26 Fe2 N2 |
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Calculated formula | C32 H26 Fe2 N2 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C=C/c1nc2ccccc2nc1/C=C/[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Ferrocene-quinoxaline Y-shaped chromophores as fascinating second-order NLO building blocks for long lasting highly active SHG polymeric films. |
Authors of publication | Senthilkumar, Kabali; Thirumoorthy, Krishnan; Dragonetti, Claudia; Marinotto, Daniele; Righetto, Stefania; Colombo, Alessia; Haukka, Matti; Palanisami, Nallasamy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 11939 - 11943 |
a | 5.88015 ± 0.00011 Å |
b | 17.9392 ± 0.0004 Å |
c | 22.8765 ± 0.0004 Å |
α | 90° |
β | 94.534 ± 0.0015° |
γ | 90° |
Cell volume | 2405.58 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0502 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1255 |
Weighted residual factors for all reflections included in the refinement | 0.1292 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.