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Information card for entry 4003335
Preview
Coordinates | 4003335.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H86 N4 O24 P2 Ti6 |
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Calculated formula | C52 H86 N4 O24 P2 Ti6 |
SMILES | c1(cnccn1)C1=[O][Ti]234([O]=P5(O[Ti]67(OC(C)C)O[Ti]89%10([O]=C(c%11cnccn%11)O[Ti]%11(O5)([O]8C(C)C)(OC(C)C)[O](C(C)C)[Ti]([O]=P(c5ccccc5)(O[Ti](O1)([O]2C(C)C)(OC(C)C)([O]7C(C)C)[O]36)O%10)(OC(C)C)([O]9%11)O4)OC(C)C)c1ccccc1)OC(C)C |
Title of publication | Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials |
Authors of publication | Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian |
Journal of publication | Chemistry of Materials |
Year of publication | 2017 |
Journal volume | 29 |
Journal issue | 7 |
Pages of publication | 2681 |
a | 12.414 ± 0.002 Å |
b | 15.182 ± 0.003 Å |
c | 19.227 ± 0.004 Å |
α | 90° |
β | 93.528 ± 0.004° |
γ | 90° |
Cell volume | 3616.8 ± 1.2 Å3 |
Cell temperature | 293.15 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1366 |
Weighted residual factors for all reflections included in the refinement | 0.1432 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4003335.html
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Users of the data should acknowledge the original authors of the
structural data.