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Information card for entry 2214171
Preview
Coordinates | 2214171.cif |
---|---|
Structure factors | 2214171.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-diphenylphosphido-bis{chlorido[(mesitylmethyl)diphenylphosphine- κP]palladium(II)]} |
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Formula | C68 H66 Cl2 P4 Pd2 |
Calculated formula | C68 H66 Cl2 P4 Pd2 |
SMILES | C(c1c(cc(cc1C)C)C)[P](c1ccccc1)(c1ccccc1)[Pd]1([P](c2ccccc2)(c2ccccc2)[Pd]([P]1(c1ccccc1)c1ccccc1)([P](Cc1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)Cl)Cl |
Title of publication | Di-μ-diphenylphosphido-bis{chlorido[(mesitylmethyl)diphenylphosphine-κ<i>P</i>]palladium(II)} |
Authors of publication | Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 7 |
Pages of publication | m1989 - m1989 |
a | 12.0793 ± 0.0007 Å |
b | 22.6156 ± 0.0014 Å |
c | 22.5499 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6160.2 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections included in the refinement | 0.0644 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.775 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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