Measurement evidence
Millimeter-scale semiconductive metal-organic framework single crystal for X-ray imaging · Cheng L., Liang C., Li B. et al. · Cell Reports Physical Science · 2022 · 101004
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
SCU-15 crystals · Single Crystal
SCU-15 crystals tested after two months in moist air.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Air stability duration | 2 months in moist air | — | — | Text Exact Reported | main p.8 · X-ray detection performance · Figure S20 |
SCU-15 crystals · Single Crystal
Bruker D8 Advance diffractometer, Cu Ka radiation (lambda = 1.54056 A), 5-50 deg 2theta.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD phase match | Peak positions of all unground crystal products match well with simulated pattern | — | — | Text Qualitative | main p.3-p.4 · Synthesis and characterizations of SCU-15 large single crystals · Figures S4-S5 |
SCU-15 crystals · Single Crystal
Bruker D8-Venture diffractometer, Mo Ka radiation (lambda = 0.71073 A), CMOS detector, 296 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| SC-XRD absorption coefficient mu | 8.247 mm^-1 | — | — | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| CCDC number | 2095959 | — | — | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| Crystal density | 2.120 g cm-3 | — | — | SI Table Exact Reported | SI p.10-p.11 · Supplemental Items · Table S1; Table S3 |
| S-S disulfide bond length | S2-S1 2.023(3) A | — | (3) | Text Exact Reported | CIF line 281 · data_SCU-15 geom_bond loop · CIF |
| CIF chemical formula sum | C17 H15 N O7 S2 U | — | — | Text Exact Reported | CIF lines 10-12 · data_SCU-15 · CIF |
| Formula weight | 647.45 | — | — | Text Exact Reported | CIF line 12 · data_SCU-15 · CIF |
| Goodness of fit on F2 | 0.871 | — | — | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| R1 for observed reflections | 0.0310 for I > 2sigma(I) | — | — | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| SCU-15 space group | P21/c | — | — | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| Unit-cell a parameter | 10.8295(12) A | — | (12) | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| Unit-cell b parameter | 16.3795(18) A | — | (18) | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| Unit-cell beta angle | 94.023(3) deg | — | (3) | Text Exact Reported | CIF line 57 · data_SCU-15 · CIF |
| Unit-cell c parameter | 11.4622(12) A | — | (12) | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| Unit-cell volume | 2028.2(4) A3 | — | (4) | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| wR2 for observed reflections | 0.1050 for I > 2sigma(I) | — | — | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |
| Formula units per cell Z | 4 | — | — | SI Table Exact Reported | SI p.10 · Supplemental Items · Table S1 |