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Information card for entry 2011106
Preview
Coordinates | 2011106.cif |
---|---|
Structure factors | 2011106.hkl |
Original IUCr paper | HTML |
Chemical name | μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} chloroform solvate (1:2) |
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Formula | C36 H34 Cl6 N4 O7 Re2 |
Calculated formula | C36 H34 Cl6 N4 O7 Re2 |
SMILES | c12ccccc1C=[N]1CCC[N]3=Cc4ccccc4O[Re]13(O2)(=O)O[Re]123([N](=Cc4c(cccc4)O2)CCC[N]1=Cc1ccccc1O3)=O.ClC(Cl)Cl.ClC(Cl)Cl |
Title of publication | Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)} |
Authors of publication | Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 7 |
Pages of publication | 749 - 757 |
a | 9.0223 ± 0.0012 Å |
b | 10.4856 ± 0.0015 Å |
c | 10.7375 ± 0.0017 Å |
α | 79.75 ± 0.012° |
β | 89.256 ± 0.011° |
γ | 81.82 ± 0.011° |
Cell volume | 989.4 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.033 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for all reflections included in the refinement | 0.07 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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