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Information card for entry 7006423
Preview
Coordinates | 7006423.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H22 Cl2 N10 Ni |
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Calculated formula | C30 H22 Cl2 N10 Ni |
SMILES | c1ccc2c([n]1[Ni](Cl)(Cl)[n]1cccc3c1nc(c(c1ccc[nH]1)n3)c1ccc[nH]1)nc(c(c1ccc[nH]1)n2)c1ccc[nH]1 |
Title of publication | A colorimetric chemosensor for both fluoride and transition metal ions based on dipyrrolyl derivative. |
Authors of publication | Ghosh, Tamal; Maiya, Bhaskar G.; Samanta, Anunay |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 6 |
Pages of publication | 795 - 801 |
a | 6.9445 ± 0.0004 Å |
b | 12.8462 ± 0.0008 Å |
c | 17.3296 ± 0.0011 Å |
α | 110.379 ± 0.001° |
β | 90.81 ± 0.001° |
γ | 94.521 ± 0.001° |
Cell volume | 1443.28 ± 0.15 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1103 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.1991 |
Weighted residual factors for all reflections included in the refinement | 0.2241 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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