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Information card for entry 8101820
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Coordinates | 8101820.cif |
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Chemical name | dichloro[1,3-bis(5-methyl-3-phenylpyrazol-1-yl)propan-2-ol]palladium(II) |
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Formula | C23 H24 Cl2 N4 O Pd |
Calculated formula | C23 H24 Cl2 N4 O Pd |
SMILES | [Pd]1([n]2c(cc(C)n2CC(Cn2c(C)cc(c3ccccc3)[n]12)O)c1ccccc1)(Cl)Cl |
Title of publication | Crystal structure of dichloro[1,3-bis(5-methyl-3-phenylpyrazol-1-yl) propan-2-ol]palladium(II), Pd[(C~10~H~9~N~2~)~2~C~3~H~5~OH]Cl~2~ |
Authors of publication | G.-F. Zhang; Y.-L. Dou; X.-Z. Fan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 3 |
Pages of publication | 451 - 452 |
a | 8.8868 ± 0.0018 Å |
b | 16.192 ± 0.003 Å |
c | 16.228 ± 0.003 Å |
α | 90° |
β | 97.08 ± 0.03° |
γ | 90° |
Cell volume | 2317.3 ± 0.8 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0776 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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