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Information card for entry 4071730
Preview
| Coordinates | 4071730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H76 Fe2 In2 N2 Si6 |
|---|---|
| Calculated formula | C42 H76 Fe2 In2 N2 Si6 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[c]61[In]1([c]78[cH]9[cH]%10[cH]%11[cH]8[Fe]8%12%13%1479%10%11[cH]7[cH]8[cH]%13[cH]%14[c]%127[In]7([c]89[cH]%10[cH]%11[cH]%12[cH]8[Fe]234569%10%11%12)[N](C)(C)[Si](C7([Si](C)(C)C)[Si](C)(C)C)(C)C)[N](C)(C)[Si](C)(C1([Si](C)(C)C)[Si](C)(C)C)C |
| Title of publication | The Dynamic Indium-Bridged [1.1]Ferrocenophane [(Me2Ntsi)In(C5H4)2Fe]2 |
| Authors of publication | Schachner, Jörg A.; Lund, Clinton L.; Burgess, Ian J.; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4703 |
| a | 17.1413 ± 0.0004 Å |
| b | 9.5085 ± 0.0003 Å |
| c | 16.7639 ± 0.0005 Å |
| α | 90° |
| β | 112.153 ± 0.001° |
| γ | 90° |
| Cell volume | 2530.62 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0711 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (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 4/07/17. |
4071730.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071730.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071730.cif |
| 44002 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071728, 4071729, 4071730 via cif-deposit CGI script. |
4071730.cif |
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