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Information card for entry 7236639
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Coordinates | 7236639.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cobalt 5-sulphoisophthalate |
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Formula | C16 H19 Co3 Na O21 S2 |
Calculated formula | C16 H13 Co3 Na O21.007 S2 |
Title of publication | Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate) |
Authors of publication | Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2017 |
Journal volume | 5 |
Journal issue | 45 |
Pages of publication | 23577 |
a | 9.972 ± 0.004 Å |
b | 11.192 ± 0.005 Å |
c | 12.679 ± 0.005 Å |
α | 104.544 ± 0.009° |
β | 90.078 ± 0.009° |
γ | 110.086 ± 0.009° |
Cell volume | 1280.4 ± 0.9 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0685 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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