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Information card for entry 4326752
Preview
Coordinates | 4326752.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H57 Cl2 N2 P Zr |
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Calculated formula | C46 H57 Cl2 N2 P Zr |
SMILES | [Zr]12(Cl)([P](C3=C(N1c1c(cccc1C(C)C)C(C)C)CCC3)(C1=C(N2c2c(cccc2C(C)C)C(C)C)CCC1)c1ccccc1)Cl.c1ccccc1 |
Title of publication | New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex |
Authors of publication | Ting Zhu; Truman C. Wambach; Michael D. Fryzuk |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11212 - 11221 |
a | 16.5347 ± 0.0014 Å |
b | 19.8606 ± 0.0016 Å |
c | 12.7659 ± 0.001 Å |
α | 90° |
β | 91.719 ± 0.004° |
γ | 90° |
Cell volume | 4190.3 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0511 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0875 |
Weighted residual factors for all reflections included in the refinement | 0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
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/4326752.html
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