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Information card for entry 4078075
Preview
Coordinates | 4078075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H76 N4 O2 Zr |
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Calculated formula | C49 H76 N4 O2 Zr |
SMILES | [Zr]123(Oc4c(C(C)(C)C)cc(C(C)(C)C)cc4C(NC(C)C)=[N]1C(C)C)(Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(=[N]3C(C)C)N2C(C)C)Cc1ccccc1 |
Title of publication | Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands |
Authors of publication | Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3228 |
a | 13.4011 ± 0.0004 Å |
b | 17.9193 ± 0.0006 Å |
c | 20.5171 ± 0.0007 Å |
α | 90° |
β | 98.656 ± 0.001° |
γ | 90° |
Cell volume | 4870.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1169 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
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/4078075.html
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Users of the data should acknowledge the original authors of the
structural data.