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Information card for entry 4325453
Preview
| Coordinates | 4325453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H32 B2 Fe3 Mo2 O7 Se2 |
|---|---|
| Calculated formula | C27 H32 B2 Fe3 Mo2 O7 Se2 |
| SMILES | [Mo]12345678([Se]9[Mo]%10%11%12%13%14%15%16([Fe]%17%18%191([Fe]1%20([Fe]29%10%18([BH]4%19)([B]%12%171[H]%20)(C#[O])C#[O])(C#[O])(C#[O])C#[O])([Se]3%11)(C#[O])C#[O])[c]1([c]%14([c]%15([c]%16([c]%131C)C)C)C)C)[c]1([c]6([c]7([c]8([c]51C)C)C)C)C |
| Title of publication | Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9 |
| Authors of publication | K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 5824 - 5832 |
| a | 12.2619 ± 0.0004 Å |
| b | 13.3712 ± 0.0003 Å |
| c | 21.2481 ± 0.0006 Å |
| α | 90° |
| β | 106.675 ± 0.003° |
| γ | 90° |
| Cell volume | 3337.26 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0205 |
| Residual factor for significantly intense reflections | 0.0172 |
| Weighted residual factors for significantly intense reflections | 0.0416 |
| Weighted residual factors for all reflections included in the refinement | 0.0423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179357 (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 4/32/54. |
4325453.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325453.cif |
| 44523 | 2012-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4325453 via cif-deposit CGI script. |
4325453.cif |
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Users of the data should acknowledge the original authors of the
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