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Information card for entry 7040699
Preview
Coordinates | 7040699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H54 Cl2 N4 O4 Zn2 |
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Calculated formula | C32 H54 Cl2 N4 O4 Zn2 |
SMILES | c12c3cc(cc1C[NH]1CC(C)(C)C[NH]4[Zn]51([O]2[Zn]12([NH](CC(C[NH]1Cc1c(c(cc(c1)CC)C4)[O]52)(C)C)C3)Cl)Cl)CC.OC.OC |
Title of publication | Syntheses, crystal structures and steady state and time-resolved fluorescence properties of a PET based macrocycle and its dinuclear Zn(II)/Cd(II)/Hg(II) complexes. |
Authors of publication | Mandal, Leena; Majumder, Samit; Mohanta, Sasankasekhar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17365 - 17381 |
a | 8.0099 ± 0.0017 Å |
b | 9.963 ± 0.002 Å |
c | 12.498 ± 0.003 Å |
α | 70.153 ± 0.009° |
β | 73.594 ± 0.009° |
γ | 73.815 ± 0.009° |
Cell volume | 881.3 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.1023 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/7040699.html
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