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Information card for entry 7008737
Preview
Coordinates | 7008737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H24 Cl2 Hg N2 O8 S3 |
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Calculated formula | C11 H24 Cl2 Hg N2 O8 S3 |
SMILES | C1C[S]2CC[S]3CC[S]4CC[N]51CCC[NH2][Hg]2345.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions. |
Authors of publication | Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 18 |
Pages of publication | 2994 - 3004 |
a | 13.586 ± 0.001 Å |
b | 16.156 ± 0.001 Å |
c | 18.833 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4133.8 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0776 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0659 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7008737.html
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