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Information card for entry 7107533
Preview
Coordinates | 7107533.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H25 Cl N4 O2 Pd |
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Calculated formula | C12 H25 Cl N4 O2 Pd |
SMILES | [Pd]12(N(C)C(=O)[C@H](C)[N]1(C)CC[N]2(C)[C@@H](C)C(=O)NC)Cl |
Title of publication | Helicity Inversion from Left- to Right-Handed Square Planar Pd(II) Complexes: Synthesis of a Diastereomer Pair from a Single Chiral Ligand and their Structure Dynamism |
Authors of publication | Hiroyuki Miyake; Masashi Ueda; Saori Murota; Hideki Sugimoto; Hiroshi Tsukube |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 3721 |
a | 7.0991 ± 0.001 Å |
b | 14.147 ± 0.002 Å |
c | 15.733 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1580.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0541 |
Weighted residual factors for all reflections included in the refinement | 0.0545 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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