Measurement evidence
High-κ Samarium-Based Metal-Organic Framework for Gate Dielectric Applications · Pathak A., Chiou G.R., Gade N.R. et al. · ACS Applied Materials and Interfaces · 2017 · 21872-21878
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
compound 1 powder / bulk sample · Powder
Wavelength 1.5406 Angstrom; step size 0.004 deg; scan speed 0.15 s per step; simulated pattern from Mercury 1.4.1.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD agreement with simulated pattern | good agreement | — | — | Text Qualitative | p003 / journal page 21874 · 3.3. Powder X-ray Diffraction and Thermogravimetric Analysis · Figure 2a |
as-synthesised compound 1 crystals · Single Crystal
Crystallographic data and refinement parameters reported in SI Table S1 and CIF; structure measured/refined near 293 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| unit cell a | a = 6.6276(3) Angstrom | — | (3) | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| unit cell b | b = 10.1411(4) Angstrom | — | (4) | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| unit cell c | c = 13.4095(5) Angstrom | — | (5) | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| unit cell volume | V = 901.27(6) Angstrom3 | — | (6) | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| hexagonal channel diagonal metal separation distances | 8.30 and 7.11 Angstrom | — | — | Text Exact Reported | p003 / journal page 21874 · 3.2. Crystal Structure |
| crystal system | Orthorhombic | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| calculated crystal density | Dcalc = 2.745 g/cm3 | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| empirical formula from Table S1 | C6H6O9Sm | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| formula weight | 372.46 | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| hydrogen-bond distances in channels | H51...O2 1.97 A; H52...O1 2.06 A; H61...O1 2.05 A; H62...O6 2.19 A | — | — | Text Exact Reported | p003 / journal page 21874 · 3.2. Crystal Structure · Figure S3 |
| R1 for I > 2 sigma(I) | R1 = 0.0110 | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| R(int) | R(int) = 0.0307 | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| Sm-O bond length range | 2.340-2.580 Angstrom | — | — | Text Range | p002 / journal page 21873 · 3.2. Crystal Structure · Figure 1 |
| longest listed Sm-O distance in CIF | Sm1-O3 2.5796(14) Angstrom | — | (14) | Table Exact Reported | CIF text · geom_bond loop |
| shortest Sm-O distance in CIF | Sm1-O1 2.336(2) Angstrom | — | (2) | Table Exact Reported | CIF text · geom_bond loop |
| Sm(III)...Sm(III) separation across bhc bridges | 11.620-9.350 Angstrom | — | — | Text Range | p002 / journal page 21873 · 3.2. Crystal Structure |
| space group | Pnmn / P n m n | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| framework topology | 3D (4,8)-connected net | — | — | Text Qualitative | p003 / journal page 21874 · 3.2. Crystal Structure · Figure S4 |
| wR2 for I > 2 sigma(I) | wR2 = 0.0263 | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |
| Z value | Z = 4 | — | — | SI Table Exact Reported | p002 / SI page S-2 · Table S1 · Table S1 |