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Information card for entry 4084163
Preview
Coordinates | 4084163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H8 N2 O5 |
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Calculated formula | C13 H8 N2 O5 |
SMILES | C(=O)(c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O |
Title of publication | Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents |
Authors of publication | Solařová, Hana; Císařová, Ivana; Štěpnička, Petr |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 15 |
Pages of publication | 4131 |
a | 12.8221 ± 0.0005 Å |
b | 31.0744 ± 0.0009 Å |
c | 6.0751 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2420.56 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.033 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/4084163.html
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Users of the data should acknowledge the original authors of the
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