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Information card for entry 2108103
Preview
Coordinates | 2108103.cif |
---|---|
Structure factors | 2108103.hkl |
Original IUCr paper | HTML |
Chemical name | Tris(piperazine-1,4-diium) bis(hexaiodidoantimonate(III)) pentahydrate |
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Formula | C12 H46 I12 N6 O5 Sb2 |
Calculated formula | C12 H46 I12 N6 O5 Sb2 |
SMILES | I[Sb](I)(I)([I-])([I-])[I-].I[Sb](I)(I)([I-])([I-])[I-].O.O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1 |
Title of publication | Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron |
Authors of publication | Bujak, Maciej |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | 3 |
Pages of publication | 432 - 442 |
a | 16.0632 ± 0.0009 Å |
b | 8.6414 ± 0.0005 Å |
c | 16.3102 ± 0.001 Å |
α | 90° |
β | 91.994 ± 0.005° |
γ | 90° |
Cell volume | 2262.6 ± 0.2 Å3 |
Cell temperature | 85 ± 0.5 K |
Ambient diffraction temperature | 85 ± 0.5 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0952 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1045 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
199056 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2108102, 2108103, 2108104, 2108105, 2108106, 2108107 via cif-deposit CGI script. |
2108103.cif 2108103.hkl |
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Users of the data should acknowledge the original authors of the
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