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Information card for entry 4072170
Preview
| Coordinates | 4072170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H88 B20 K La O7 |
|---|---|
| Calculated formula | C50 H88 B20 K La O7 |
| SMILES | [La]123456789%10([C]%11%12%13%14[C]%15%16%17([c]%181[c]12cccc[c]1%10[cH]3[cH]4%18)[BH]12%14[BH]34%17[BH]%10%14%15[BH]%15%11%16[BH]%11%16%14[BH]%144%10[BH]423[BH]2%121[BH]%13%15%11[BH]%16%1442)([C]1234[C]%10%11%12([c]%135[c]56cccc[c]75[cH]8[cH]9%13)[BH]561[BH]17%10[BH]89%11[BH]%102%12[BH]2%119[BH]978[BH]761[BH]135[BH]4%102[BH]%11971)[O]1CCCC1.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2− |
| Authors of publication | Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5309 |
| a | 10.95 ± 0.002 Å |
| b | 17.141 ± 0.003 Å |
| c | 20.219 ± 0.004 Å |
| α | 69.65 ± 0.03° |
| β | 84.14 ± 0.03° |
| γ | 82.15 ± 0.03° |
| Cell volume | 3518.7 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0917 |
| Weighted residual factors for significantly intense reflections | 0.2508 |
| Weighted residual factors for all reflections included in the refinement | 0.2745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072170.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072170.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072170.cif |
| 44270 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072170, 4072171, 4072172, 4072173 via cif-deposit CGI script. |
4072170.cif |
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Users of the data should acknowledge the original authors of the
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