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Information card for entry 4075307
Preview
| Coordinates | 4075307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H78 B21 Er2 Na O4 |
|---|---|
| Calculated formula | C45 H74 B21 Er2 Na O4 |
| SMILES | [Na]([O]1CCCC1)[O]1CCCC1.[Er]123456789%10([O]%11CCCC%11)[C]%11%12([c]%13%14[cH]%15[Er]%16%17%18%19%20%21%13([O]%13CCCC%13)([cH]%15[c]%13%16[c]%14%17cccc%13)([C]%13%14([c]%151[cH]2[cH]3[c]14cccc[c]5%151)[BH]12%18[CH]34[BH]5%15%19[BH]%16%17%20[BH]%18%21%13[BH]%13%19%141[BH]123[BH]245[BH]3%15%16[BH]%17%18%13[BH]%19123)[BH4]%10)[BH]126[CH]34[BH]567[BH]7%108[BH]89%11[BH]9%11%121[BH]123[BH]245[BH]367[BH]%1089[BH]%11123.c1(ccccc1)C |
| Title of publication | Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes |
| Authors of publication | Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 10 |
| Pages of publication | 2617 |
| a | 33.105 ± 0.006 Å |
| b | 40.435 ± 0.007 Å |
| c | 17.226 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 23059 ± 7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.1297 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1531 |
| Weighted residual factors for all reflections included in the refinement | 0.2014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178642 (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 4/07/53. |
4075307.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075307.cif |
| 49168 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075299, 4075300, 4075301, 4075302, 4075303, 4075304, 4075305, 4075306, 4075307, 4075308 via cif-deposit CGI script. |
4075307.cif |
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Users of the data should acknowledge the original authors of the
structural data.