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Information card for entry 4071435
Preview
| Coordinates | 4071435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H94 B22 Ir N4 O P2 Sn2 |
|---|---|
| Calculated formula | C55 H94 B22 Ir N4 O P2 Sn2 |
| SMILES | [O]#C[Ir]([Sn]1234[BH]567[BH]89%10[BH]%11%125[BH]536[BH]362[BH]2%131[BH]478[BH]1%10%13[BH]432[BH]9%111[BH]%12564)([Sn]1234[BH]567[BH]89%10[BH]%1115[BH]154[BH]4%12%13[BH]%1431[BH]126[BH]278[BH]4%141[BH]9%122[BH]%10%115%13)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(C)CC.C[N+](CC)(CC)CC.N#CC.C(#N)C |
| Title of publication | Iridium Coordination Compounds of Stanna-closo-dodecaborate |
| Authors of publication | Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 12 |
| Pages of publication | 2803 |
| a | 18.7819 ± 0.0011 Å |
| b | 21.2139 ± 0.0011 Å |
| c | 35.3915 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14101.3 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1144 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/14. |
4071435.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071435.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071435.cif |
| 43835 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071431, 4071432, 4071433, 4071434, 4071435 via cif-deposit CGI script. |
4071435.cif |
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