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Information card for entry 4335172
Preview
Coordinates | 4335172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H97 Al N4 O8 Si2 Zr |
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Calculated formula | C53 H97 Al N4 O8 Si2 Zr |
SMILES | [Zr]1(O[Si](O[Al]2(O[Si](O1)(OC(C)(C)C)OC(C)(C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(OC(C)(C)C)OC(C)(C)C)(N(CC)CC)N(CC)CC |
Title of publication | Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf) |
Authors of publication | Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 6934 - 6943 |
a | 12.4257 ± 0.0004 Å |
b | 13.0671 ± 0.0005 Å |
c | 37.4401 ± 0.0013 Å |
α | 90° |
β | 91.881 ± 0.001° |
γ | 90° |
Cell volume | 6075.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0352 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Weighted residual factors for all reflections included in the refinement | 0.0721 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4335172.html
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