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Information card for entry 7016439
Preview
Coordinates | 7016439.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H150 Al16 F20 O26 |
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Calculated formula | C66 H150 Al16 F20 O26 |
SMILES | C(C)(C)[O]1[Al]234([F][Al]56([F]2)(F)[O]27[Al]8(F)([O]5C(C)C)[O]([Al]2(F)([O]6C(C)C)[O]([Al]7([F]3)(F)[O]8C(C)C)C(C)C)C(C)C)[O]23[Al]51(F)[O]([Al]3([O]4C(C)C)(F)[O]([Al]12([F][Al]23([F]1)[O]14[Al]678([F][Al]9%10([F]6)(F)[O]6%11[Al]%12(F)([O]9C(C)C)[O]([Al]6(F)([O]%10C(C)C)[O]([Al]%11([F]7)(F)[O]%12C(C)C)C(C)C)C(C)C)[O](C(C)C)[Al]1(F)([O]2C(C)C)[O]([Al]4(F)([O]8C(C)C)[O]3C(C)C)C(C)C)[O]5C(C)C)C(C)C)C(C)C.C(C)(C)O.C(C)(C)O |
Title of publication | New crystalline aluminum alkoxide oxide fluorides: Evidence of the mechanism of the fluorolytic sol-gel reaction. |
Authors of publication | König, R; Scholz, G.; Veiczi, M.; Jäger, C; Troyanov, S. I.; Kemnitz, E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 34 |
Pages of publication | 8701 - 8710 |
a | 10.7854 ± 0.0005 Å |
b | 13.6679 ± 0.0006 Å |
c | 20.0924 ± 0.0009 Å |
α | 96.679 ± 0.004° |
β | 100.678 ± 0.004° |
γ | 100.788 ± 0.004° |
Cell volume | 2824 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1304 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.172 |
Weighted residual factors for all reflections included in the refinement | 0.1912 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/7016439.html
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