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Information card for entry 7043680
Preview
Coordinates | 7043680.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H20 Fe N P |
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Calculated formula | C22 H20 Fe N P |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N)[c]1(P(c2ccccc2)c2ccccc2)[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes |
Authors of publication | Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 8.6644 ± 0.0004 Å |
b | 10.1933 ± 0.0004 Å |
c | 10.9689 ± 0.0005 Å |
α | 103.168 ± 0.0014° |
β | 102.966 ± 0.0015° |
γ | 101.417 ± 0.0014° |
Cell volume | 887.01 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0277 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0581 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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