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Information card for entry 4313827
Preview
Coordinates | 4313827.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H53 N6 Si3 Y |
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Calculated formula | C37 H53 N6 Si3 Y |
SMILES | [Y]12345N(c6ccccc6)[Si]([N]61CC[N]2([Si](N5c1ccccc1)(C)C)CC[N]3([Si](N4c1ccccc1)(C)C)CC6)(C)C.c1(ccccc1)C |
Title of publication | Triamidotriazacyclononane Complexes of Group 3 Metals. Synthesis and Crystal Structures |
Authors of publication | Bernardo Monteiro; Dmitrii Roitershtein; Humberto Ferreira; José R. Ascenso; Ana M. Martins; Ângela Domingos; Noémia Marques |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 4223 - 4231 |
a | 10.943 ± 0.0008 Å |
b | 16.3749 ± 0.0014 Å |
c | 22.582 ± 0.003 Å |
α | 90° |
β | 91.195 ± 0.007° |
γ | 90° |
Cell volume | 4045.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2817 |
Residual factor for significantly intense reflections | 0.1086 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.1841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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