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Information card for entry 4123000
Preview
| Coordinates | 4123000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H72 Ni9 P8 Te6 |
|---|---|
| Calculated formula | C24 H72 Ni9 P8 Te6 |
| SMILES | C[P](C)(C)[Ni]123456[Ni]789%10%11%12[Ni]%13%14%15%161([P](C)(C)C)[Te]1%17[Ni]%18%19%20%218([P](C)(C)C)[Ni]8%22%23%247([P](C)(C)C)[Te]2([Ni]274%108([P](C)(C)C)[Te]3%14[Ni]%11%15%17%192([P](C)(C)C)[Te]%21%247)[Ni]235%12%22([Ni]9%131%18([P](C)(C)C)([Te]%20%232)[Te]6%163)[P](C)(C)C |
| Title of publication | Ferromagnetic Ordering in Superatomic Solids. |
| Authors of publication | Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Pages of publication | 141120142959006 |
| a | 17.3709 ± 0.0005 Å |
| b | 17.3709 ± 0.0005 Å |
| c | 14.927 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3900.75 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections | 0.1183 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.8766 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179032 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/30. |
4123000.cif |
| 127699 | 2014-11-21 | cif/ Adding structures of 4123000 via cif-deposit CGI script. |
4123000.cif |
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Users of the data should acknowledge the original authors of the
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