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Information card for entry 7009667
Preview
Coordinates | 7009667.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H30 Cl2 Cu N6 |
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Calculated formula | C13 H30 Cl2 Cu N6 |
SMILES | [Cu]1(Cl)(Cl)[N](CCC[N]1=C(N(C)C)N(C)C)=C(N(C)C)N(C)C |
Title of publication | 1,3-Bis(N,N,N',N'-tetramethylguanidino)propane: synthesis, characterization and bonding properties of the first bidentate, peralkylated guanidine ligand † |
Authors of publication | Pohl, Siegfried; Harmjanz, Michael; Schneider, Jörg; Saak, Wolfgang; Henkel, Gerald |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2000 |
Journal issue | 19 |
Pages of publication | 3473 |
a | 19.037 ± 0.001 Å |
b | 13.646 ± 0.001 Å |
c | 30.587 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7945.9 ± 0.9 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
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 | 0.09 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1548 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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