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Information card for entry 7008740
Preview
Coordinates | 7008740.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H24 Cd N4 O7 S2 |
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Calculated formula | C11 H24 Cd N4 O7 S2 |
SMILES | [Cd]123([S]4CC[N]2(CC[S]1CCOCC4)CCC[NH2]3)ON(=O)=O.O=N(=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 | 13.128 ± 0.002 Å |
b | 16.559 ± 0.009 Å |
c | 16.951 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3685 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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