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Information card for entry 7029599
Preview
Coordinates | 7029599.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H98 Cl2 Fe2 P6 Pd |
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Calculated formula | C100 H98 Cl2 Fe2 P6 Pd |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#C[P](c1ccccc1)(c1ccccc1)[Pd](Cl)([P](C#C[Fe]12345([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)[P](CC[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl)C)C)C)C |
Title of publication | Redox-active phosphines: synthesis and crystal structures of palladium(ii) complexes of a metallaphosphine in two different oxidation states. |
Authors of publication | Tohmé, Ayham; Labouille, Stéphanie; Roisnel, Thierry; Dorcet, Vincent; Carmichael, Duncan; Paul, Frédéric |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 19 |
Pages of publication | 7002 - 7005 |
a | 12.6954 ± 0.0004 Å |
b | 13.6393 ± 0.0004 Å |
c | 15.0485 ± 0.0005 Å |
α | 90.312 ± 0.002° |
β | 94.918 ± 0.002° |
γ | 112.192 ± 0.002° |
Cell volume | 2401.81 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1078 |
Weighted residual factors for all reflections included in the refinement | 0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7029599.html
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