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Information card for entry 1547692
Preview
Coordinates | 1547692.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H24 O12 P4 |
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Calculated formula | C25 H24 O12 P4 |
SMILES | P(=O)(O)(O)c1ccc(C(c2ccc(P(=O)(O)O)cc2)(c2ccc(P(=O)(O)O)cc2)c2ccc(P(=O)(O)O)cc2)cc1 |
Title of publication | Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system |
Authors of publication | Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga |
Journal of publication | Nature Communications |
Year of publication | 2017 |
Journal volume | 8 |
Pages of publication | 15369 |
a | 13.2646 ± 0.0007 Å |
b | 13.2646 ± 0.0007 Å |
c | 7.5238 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1323.81 ± 0.13 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0516 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1028 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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202055 (current) | 2017-10-17 | cif/ Adding structures of 1547692 via cif-deposit CGI script. |
1547692.cif |
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