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Information card for entry 7006623
Preview
Coordinates | 7006623.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H30 Cu N6 O3 P |
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Calculated formula | C19 H30 Cu N6 O3 P |
SMILES | [Cu]12([P](OC)(OC)OC)[n]3n(C(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C |
Title of publication | Coinage metal complexes of tris(pyrazolyl)methanide [C(3,5-Me2pz)3]-: kappa3-coordination vs. backbone functionalisation. |
Authors of publication | Krummenacher, Ivo; Rüegger, Heinz; Breher, Frank |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 8 |
Pages of publication | 1073 - 1081 |
a | 10.392 ± 0.002 Å |
b | 11.069 ± 0.003 Å |
c | 11.705 ± 0.003 Å |
α | 96.346 ± 0.005° |
β | 104.986 ± 0.005° |
γ | 112.169 ± 0.005° |
Cell volume | 1171.4 ± 0.5 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 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 | 0.0799 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Weighted residual factors for all reflections included in the refinement | 0.1694 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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