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Information card for entry 7037539
Preview
Coordinates | 7037539.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C108 H140 Cl4 O54 Ti13 |
---|---|
Calculated formula | C108 H140 Cl4 O54 Ti13 |
SMILES | c12c(cccc1)C1=[O][Ti]3456OC7c8c(C9=[O][Ti]%10%11%12%13[O]=C%14c%15c(cccc%15)C%15=[O][Ti]%16%17%18%19[O]=C%20c%21c(C%22=[O][Ti]%23%24%25%26[O]=C2O[Ti]2([O]=C%27[O]%23[Ti](O%22)(Oc%22c%27cc(cc%22)Cl)([O]%24C(C)C)(OC(C)C)OC(C)C)([O]%25[Ti]%22%23%24([O]([Ti](O%26)(OC(C)C)([O]=7)([O]=C7[O]3[Ti](O1)(Oc1c7cc(cc1)Cl)(OC(C)C)(OC(C)C)[O]4C(C)C)[O]5%22)[Ti](O%13)(OC(C)C)(O%20)([O]=C1[O]%16[Ti](O%15)(Oc3c1cc(cc3)Cl)(OC(C)C)(OC(C)C)[O]%17C(C)C)[O]%18%23)[O]%12[Ti](O%14)([O]=C1[O]%10[Ti](O9)(Oc3c1cc(cc3)Cl)(OC(C)C)(OC(C)C)[O]%11C(C)C)(O6)(OC(C)C)[O]2%24)(O%19)OC(C)C)cccc%21)cccc8 |
Title of publication | Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties. |
Authors of publication | Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 19829 - 19835 |
a | 25.876 ± 0.003 Å |
b | 25.876 ± 0.003 Å |
c | 43.429 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 29079 ± 6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1579 |
Residual factor for significantly intense reflections | 0.1353 |
Weighted residual factors for significantly intense reflections | 0.1891 |
Weighted residual factors for all reflections included in the refinement | 0.199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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