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Information card for entry 4002692
Preview
Coordinates | 4002692.cif |
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Original paper (by DOI) | HTML |
Common name | SBMOF1_C2H4 |
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Formula | C14.67 H9.35 Ca O6 S |
Calculated formula | C14.68 H9.36 Ca O6 S |
Title of publication | Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks |
Authors of publication | Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B. |
Journal of publication | Chemistry of Materials |
Year of publication | 2016 |
Journal volume | 28 |
Journal issue | 6 |
Pages of publication | 1636 - 1646 |
a | 11.5955 ± 0.0003 Å |
b | 5.5581 ± 0.0001 Å |
c | 22.9548 ± 0.0005 Å |
α | 90° |
β | 101.062 ± 0.003° |
γ | 90° |
Cell volume | 1451.93 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0442 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0905 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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