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Information card for entry 4306830
Preview
Coordinates | 4306830.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H57 Al Hf N2 O |
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Calculated formula | C41 H57 Al Hf N2 O |
SMILES | [Hf]12345678(O[Al]9([N](=C(C=C(N9c9c(cccc9C(C)C)C(C)C)C)C)c9c(cccc9C(C)C)C(C)C)C)(C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Synthesis, Structural Characterization, Catalytic Properties, and Theoretical Study of Compounds Containing an Al-O-M (M = Ti, Hf) Core |
Authors of publication | Prabhuodeyara M. Gurubasavaraj; Swadhin K. Mandal; Herbert W. Roesky; Rainer B. Oswald; Aritra Pal; Mathias Noltemeyer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 1056 - 1061 |
a | 9.921 ± 0.002 Å |
b | 10.276 ± 0.002 Å |
c | 19.616 ± 0.003 Å |
α | 88.28 ± 0.02° |
β | 87.17 ± 0.02° |
γ | 68.47 ± 0.02° |
Cell volume | 1857.9 ± 0.6 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0221 |
Residual factor for significantly intense reflections | 0.0178 |
Weighted residual factors for significantly intense reflections | 0.0369 |
Weighted residual factors for all reflections included in the refinement | 0.0375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179106 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/68. |
4306830.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306830.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306830.cif |
1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4306830.cif |
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Users of the data should acknowledge the original authors of the
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