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Information card for entry 4081488
Preview
Coordinates | 4081488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H33 Cl2 Fe N O P2 Pd |
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Calculated formula | C37 H33 Cl2 Fe N O P2 Pd |
SMILES | [Pd]1(Cl)(Cl)[P]([c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[c]2([cH]%10[cH]9[cH]8[cH]72)C(=O)NCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents |
Authors of publication | Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5754 |
a | 9.3728 ± 0.0001 Å |
b | 9.8452 ± 0.0001 Å |
c | 18.5988 ± 0.0002 Å |
α | 78.3571 ± 0.0006° |
β | 76.9884 ± 0.0006° |
γ | 87.6089 ± 0.0007° |
Cell volume | 1637.76 ± 0.03 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0632 |
Weighted residual factors for all reflections included in the refinement | 0.0654 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081488.html
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