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Information card for entry 7705381
Preview
Coordinates | 7705381.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H32 Ba Cl4 F12 N2 O6 |
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Calculated formula | C22 H32 Ba Cl4 F12 N2 O6 |
Title of publication | Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s. |
Authors of publication | Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 37 |
Pages of publication | 13017 - 13028 |
a | 20.8202 ± 0.0016 Å |
b | 8.6412 ± 0.0008 Å |
c | 21.2767 ± 0.0018 Å |
α | 90° |
β | 119.027 ± 0.003° |
γ | 90° |
Cell volume | 3347.1 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.0232 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0577 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
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/7705381.html
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