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Information card for entry 4312253
Preview
| Coordinates | 4312253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H73 Bi O25 Ti4 |
|---|---|
| Calculated formula | C63 H73 Bi O25 Ti4 |
| SMILES | [Bi]1234567[O](C(C)C)[Ti]89%10(Oc%11ccccc%11C(=[O]8)O[Ti]8%11([O](C(C)C)[Ti]%12(Oc%13ccccc%13C(=[O]2)[O]1%12)([O]=C1O[Ti]2(Oc%12ccccc%12C([O]32)=[O]4)([O]=C([O]79)c2c(O%10)cccc2)(Oc2ccccc12)OC(C)C)([O]%11C(C)C)OC(C)C)(Oc1ccccc1C([O]58)=[O]6)OC(C)C)OC(C)C |
| Title of publication | Heterobimetallic Bi(III)-Ti(IV) Coordination Complexes: Synthesis and Solid-State Structures of BiTi4(sal)6(μ-OiPr)3(OiPr)4, and the Cyclic Isomers Bi4Ti4(sal)10(μ-OiPr)4(OiPr)4 and Bi8Ti8(sal)20(μ-OiPr)8(OiPr)8 |
| Authors of publication | John H. Thurston; Arvind Kumar; Cristina Hofmann; Kenton H. Whitmire |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 8427 - 8436 |
| a | 12.13 ± 0.002 Å |
| b | 15.073 ± 0.003 Å |
| c | 23.789 ± 0.005 Å |
| α | 98.62 ± 0.03° |
| β | 101.38 ± 0.03° |
| γ | 113.55 ± 0.03° |
| Cell volume | 3780.1 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1326 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1876 |
| Weighted residual factors for all reflections included in the refinement | 0.2166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179161 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/22. |
4312253.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312253.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312253.cif |
| 3758 | 2010-11-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4312253 via cif-deposit CGI script. |
4312253.cif |
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