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Information card for entry 4125280
Preview
Coordinates | 4125280.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H20 N2 O2 |
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Calculated formula | C26 H20 N2 O2 |
SMILES | O(c1c(OC)c2c(c3cc(c4ccncc4)ccc13)cc(c1ccncc1)cc2)C |
Title of publication | Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage. |
Authors of publication | Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 41 |
Pages of publication | 13750 |
a | 11.9958 ± 0.0012 Å |
b | 16.3222 ± 0.0015 Å |
c | 10.2282 ± 0.001 Å |
α | 90° |
β | 108.225 ± 0.003° |
γ | 90° |
Cell volume | 1902.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0567 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1251 |
Weighted residual factors for all reflections included in the refinement | 0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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