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Information card for entry 7038129
Preview
Coordinates | 7038129.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H49 N2 P Zr |
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Calculated formula | C38 H49 N2 P Zr |
SMILES | [Zr]12([P](CC(CN1C(C)(C)C)CN2C(C)(C)C)(c1ccccc1)c1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type "molecular claw". |
Authors of publication | Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3528 - 3540 |
a | 16.53716 ± 0.00005 Å |
b | 19.78721 ± 0.00007 Å |
c | 20.54069 ± 0.00009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6721.41 ± 0.04 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0241 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0555 |
Weighted residual factors for all reflections included in the refinement | 0.0562 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7038129.html
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Users of the data should acknowledge the original authors of the
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