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Information card for entry 4312254
Preview
| Coordinates | 4312254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H96 Bi4 O38 Ti4 |
|---|---|
| Calculated formula | C94 H96 Bi4 O38 Ti4 |
| SMILES | [Bi]123[O]=C4c5c(cccc5)O[Ti]56(O4)(OC(C)C)[O]([Bi]4([O]=C7c8c(cccc8)O[Ti]89(O7)(Oc7ccccc7C(=O)[O]8[Bi]7([O]=C8c%10c(cccc%10)O[Ti]%10%11(Oc%12ccccc%12C(=O)[O]%10[Bi]%10([O]=C%12c%13c(cccc%13)O[Ti]%13(Oc%14c(cccc%14)C(=O)[O]2%13)(OC(C)C)([O]3C(C)C)O%12)(Oc2ccccc2C(O%10)=[O]7)[O]%11C(C)C)(O8)OC(C)C)[O]9C(C)C)OC(C)C)(Oc2ccccc2C(=[O]4)O1)[O]6C(=O)c1c(cccc1)O5)C(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 | 13.551 ± 0.003 Å |
| b | 14.397 ± 0.003 Å |
| c | 16.376 ± 0.003 Å |
| α | 66.7 ± 0.03° |
| β | 76.71 ± 0.03° |
| γ | 79.71 ± 0.03° |
| Cell volume | 2841.9 ± 1.2 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.71 |
| 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. |
4312254.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312254.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312254.cif |
| 3759 | 2010-11-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4312254 via cif-deposit CGI script. |
4312254.cif |
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