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Information card for entry 7236125
Preview
Coordinates | 7236125.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H37 N3 Ni1.5 O12.5 P3 |
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Calculated formula | C27 H27.5 N3 Ni1.5 O12.5 P3 |
Title of publication | Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid |
Authors of publication | Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2016 |
Journal volume | 4 |
Journal issue | 4 |
Pages of publication | 1353 |
a | 18.5564 ± 0.0016 Å |
b | 18.5564 ± 0.0016 Å |
c | 22.937 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7898.1 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 121 |
Hermann-Mauguin space group symbol | I -4 2 m |
Hall space group symbol | I -4 2 |
Residual factor for all reflections | 0.1402 |
Residual factor for significantly intense reflections | 0.0856 |
Weighted residual factors for significantly intense reflections | 0.1941 |
Weighted residual factors for all reflections included in the refinement | 0.2226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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