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Information card for entry 4003333
Preview
Coordinates | 4003333.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H44 N2 O24 P2 Ti6 |
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Calculated formula | C54 H86 N2 O24 P2 Ti6 |
SMILES | CC(C)[O]1[Ti]23(OC(C)C)O[Ti]456([O]7[Ti]89([O]=P(O6)(O[Ti]6%101([O]2[Ti]([O]=C(c1cnccc1)O6)([O]=P(O3)(O[Ti]7([O]=C(c1cnccc1)O5)([O]4C(C)C)(OC(C)C)[O]8C(C)C)c1ccccc1)(OC(C)C)([O]%10C(C)C)O9)OC(C)C)c1ccccc1)OC(C)C)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 | 14.739 ± 0.0009 Å |
b | 20.9507 ± 0.001 Å |
c | 23.2253 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7171.8 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1583 |
Weighted residual factors for all reflections included in the refinement | 0.1706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4003333.html
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Users of the data should acknowledge the original authors of the
structural data.