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Information card for entry 7061935
Preview
Coordinates | 7061935.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H25 N3 O2 Pd |
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Calculated formula | C15 H25 N3 O2 Pd |
SMILES | [Pd]12([N](=CC=[N]1C(C)(C)C)C(C)(C)C)[CH]1=[CH]2C(=O)N(C1=O)C |
Title of publication | Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety |
Authors of publication | Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 45 |
Pages of publication | 21536 - 21552 |
a | 17.3887 ± 0.0004 Å |
b | 9.9535 ± 0.0003 Å |
c | 19.3374 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3346.89 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.0216 |
Residual factor for significantly intense reflections | 0.0193 |
Weighted residual factors for significantly intense reflections | 0.0455 |
Weighted residual factors for all reflections included in the refinement | 0.047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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