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Information card for entry 4501341
Preview
| Coordinates | 4501341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ni(aepa)2]3Sb6S12 |
|---|---|
| Formula | C30 H90 N18 Ni3 S12 Sb6 |
| Calculated formula | C30 H90 N18 Ni3 S12 Sb6 |
| Title of publication | From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure |
| Authors of publication | Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 5554 |
| a | 22.1486 ± 0.0011 Å |
| b | 22.1486 ± 0.0011 Å |
| c | 23.6629 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10052.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179544 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13. |
4501341.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501341.cif |
| 34867 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4501341 via cif-deposit CGI script. |
4501341.cif |
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Users of the data should acknowledge the original authors of the
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