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Information card for entry 7101260
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Coordinates | 7101260.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (1L)Zn2Cl4(ethanol)2(water)2 |
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Formula | C39 H50 Cl4 N10 O5 Zn2 |
Calculated formula | C39 H46 Cl4 N10 O5 Zn2 |
SMILES | [Zn]23([N](Cc1[n]2c2c([nH]1)cccc2)(Cc1[n]3c2c([nH]1)cccc2)CC[OH]([Zn]134Cl)C[N]1(Cc1[n]3c2c([nH]1)cccc2)Cc1[n]4c2c([nH]1)cccc2)(Cl)Cl.[Cl-].O.OCC.OCC.O |
Title of publication | Rapid phosphate ester hydrolysis catalyzed by bimetallic tetrabenzimidazole complexes. |
Authors of publication | Klinkel, K.; L.A.Kiemele; D.L.Gin; J.R.Hagadorn |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 27 |
a | 12.3747 ± 0.0004 Å |
b | 13.7692 ± 0.0005 Å |
c | 14.0177 ± 0.0005 Å |
α | 93.14 ± 0.001° |
β | 111.015 ± 0.001° |
γ | 93.478 ± 0.001° |
Cell volume | 2217.98 ± 0.13 Å3 |
Cell temperature | 152 ± 2 K |
Ambient diffraction temperature | 152 ± 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 | 0.117 |
Residual factor for significantly intense reflections | 0.0799 |
Weighted residual factors for significantly intense reflections | 0.1967 |
Weighted residual factors for all reflections included in the refinement | 0.2252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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