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Information card for entry 7016103
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Coordinates | 7016103.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H18 Br2 N2 Zn |
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Calculated formula | C16 H18 Br2 N2 Zn |
SMILES | c1([N]2[Zn]([n]3c(cccc3)C=2)(Br)Br)ccc(cc1)C(C)(C)C |
Title of publication | Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence. |
Authors of publication | Saha Roy, Amit; Saha, Pinaki; Mitra, Partha; Sundar Maity, Shyam; Ghosh, Sanjib; Ghosh, Prasanta |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 28 |
Pages of publication | 7375 - 7384 |
a | 9.2536 ± 0.001 Å |
b | 7.6218 ± 0.0011 Å |
c | 12.375 ± 0.0011 Å |
α | 90° |
β | 97.059 ± 0.002° |
γ | 90° |
Cell volume | 866.18 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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