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Information card for entry 7014497
Preview
Coordinates | 7014497.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H36 Ag2 B2 F8 N8 |
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Calculated formula | C44 H36 Ag2 B2 F8 N8 |
SMILES | [B](F)(F)(F)[F-].c1ccc2=C(c3ccc[nH]3)c3ccc(cc3)c3cc[n]([Ag][n]4cccc4=C(c4ccc[nH]4)c4ccc(cc4)c4cc[n]([Ag][n]12)cc4)cc3.N#CC.[B](F)(F)(F)[F-].N#CC |
Title of publication | Dipyrrin based silver [2 + 2] metallamacrocycles. |
Authors of publication | Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 2 |
Pages of publication | 437 - 445 |
a | 10.5431 ± 0.0004 Å |
b | 7.2584 ± 0.0003 Å |
c | 27.3348 ± 0.0011 Å |
α | 90° |
β | 93.822 ± 0.002° |
γ | 90° |
Cell volume | 2087.17 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0533 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0888 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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