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Information card for entry 2221797
Preview
Coordinates | 2221797.cif |
---|---|
Structure factors | 2221797.hkl |
Original IUCr paper | HTML |
Chemical name | Bromido{dicyclohexyl[2'-(dimethylamino)biphenyl-2-yl]phosphine-κ<i>P</i>}[2- (4,6-dimethylpyrimidin-2-yl)ferrocenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II) dichloromethane solvate |
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Formula | C43 H53 Br Cl2 Fe N3 P Pd |
Calculated formula | C43 H53 Br Cl2 Fe N3 P Pd |
SMILES | [Pd]1([c]23[Fe]456789%10([c]2([cH]4[cH]5[cH]36)c2[n]1c(cc(n2)C)C)[cH]1[cH]7[cH]8[cH]9[cH]%101)([P](C1CCCCC1)(C1CCCCC1)c1ccccc1c1c(N(C)C)cccc1)Br.ClCCl |
Title of publication | Bromido{dicyclohexyl[2'-(dimethylamino)biphenyl-2-yl]phosphine-κ<i>P</i>}[2-(4,6-dimethylpyrimidin-2-yl)ferrocenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II) dichloromethane solvate |
Authors of publication | Hao, Xin-Qi; Li, Hong-Mei; Jiang, Hui; Ma, Yong-Tao; Song, Mao-Ping |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 5 |
Pages of publication | m529 - m530 |
a | 10.2059 ± 0.0009 Å |
b | 10.3637 ± 0.0009 Å |
c | 21.9 ± 0.002 Å |
α | 81.195 ± 0.001° |
β | 76.59 ± 0.001° |
γ | 72.647 ± 0.001° |
Cell volume | 2141.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0943 |
Weighted residual factors for all reflections included in the refinement | 0.0993 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2221797.html
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