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Information card for entry 4073458
Preview
Coordinates | 4073458.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H39 Cl2 N O2 P2 Pd |
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Calculated formula | C42 H39 Cl2 N O2 P2 Pd |
SMILES | [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#N)C(=O)OC(C)C.ClCCl |
Title of publication | Preparation, Structures, and Thermal Reactivity of Alkoxycarbonyl(cyano)palladium(II) Complexestrans-Pd(COOR)(CN)(PPh3)2(R = Me, Et,nPr,iPr,nBu,tBu, and Bn) as Intermediates of the Palladium-Catalyzed Cyanoesterification of Norbornene Derivatives |
Authors of publication | Nishihara, Yasushi; Miyasaka, Mitsuru; Inoue, Yoshiaki; Yamaguchi, Tomoka; Kojima, Masaaki; Takagi, Kentaro |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 16 |
Pages of publication | 4054 |
a | 11.288 ± 0.003 Å |
b | 12.435 ± 0.004 Å |
c | 15.926 ± 0.006 Å |
α | 68.424 ± 0.014° |
β | 89.252 ± 0.015° |
γ | 68.756 ± 0.012° |
Cell volume | 1918.9 ± 1.1 Å3 |
Cell temperature | 93.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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