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Information card for entry 4326330
Preview
| Coordinates | 4326330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H37 B3 Fe2 O7 Ta2 |
|---|---|
| Calculated formula | C26 H34 B3 Fe2 O7 Ta2 |
| SMILES | [B]1234[BH]56[O]7[Ta]89%10%11%1215([B]15[Fe]%13%12(C#[O])(C#[O])(C#[O])[Fe]%121(C#[O])(C#[O])(C#[O])[Ta]1%14%15%162675%13([c]2([c]1([c]%15([c]%16([c]%142C)C)C)C)C)([H]4)[H]%12)([c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[H]3 |
| Title of publication | Synthesis, Characterization, and Electronic Structure of New Type of Heterometallic Boride Clusters |
| Authors of publication | Shubhankar Kumar Bose; K. Geetharani; Satyanarayan Sahoo; K. Hari Krishna Reddy; Babu Varghese; Eluvathingal D. Jemmis; Sundargopal Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 9414 - 9422 |
| a | 10.362 ± 0.005 Å |
| b | 8.747 ± 0.005 Å |
| c | 34.653 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 97.544 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3114 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179366 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63. |
4326330.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326330.cif |
| 48494 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4326330 via cif-deposit CGI script. |
4326330.cif |
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Users of the data should acknowledge the original authors of the
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