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Information card for entry 4111819
Preview
Coordinates | 4111819.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54.14 H67.65 Al N3 |
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Calculated formula | C54.142 H67.648 Al N3 |
Title of publication | The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide |
Authors of publication | Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 10170 - 10171 |
a | 21.56 ± 0.004 Å |
b | 10.457 ± 0.002 Å |
c | 40.816 ± 0.008 Å |
α | 90° |
β | 97.26 ± 0.03° |
γ | 90° |
Cell volume | 9128 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0463 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0859 |
Weighted residual factors for all reflections included in the refinement | 0.091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178889 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/18. |
4111819.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111819.cif |
63431 | 2012-08-01 | cif/ Adding structures of 4111819 via cif-deposit CGI script. |
4111819.cif |
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Users of the data should acknowledge the original authors of the
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