Measurement evidence
Growth and Characterisation of Copper Complex of 2, 4, 6-Trioxypyrimidine: A Novel Luminescent and Active Pharmaceutical Material in Metal Organic Framework · Vineeth V.T., Divya R., Bijini B.R. et al. · Journal of Inorganic and Organometallic Polymers and Materials · 2021 · 426-436
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Crushed CuB powder · Powder
Beta cos(theta)/lambda plotted against sin(theta)/lambda to evaluate lattice strain from the slope.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Hall-Williamson strain | 0.0019 | — | — | Text Exact Reported | 431 · 3.5.1 Hall-Williamson Analysis · Figure 8 |
Crushed CuB powder · Powder
CuKalpha radiation, lambda = 1.540 A; grown crystal crushed into powder.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Prominent PXRD peak positions | 2theta = 14.78, 16.33, 17, 20.74, 23.36, 25.58, and 26.18 deg, indexed as (111), (220), (131), (151), (260), (022), and (311) | — | — | Text Rounded Reported | 430-431 · 3.5 Powder X-Ray Diffraction · Figure 6 |
Grown emerald coloured CuB single crystal · Single Crystal
Wavelength 0.71073 A; crystal size 0.350 x 0.300 x 0.300 mm; theta range 2.706 to 28.259 deg.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Unit cell a | a = 11.6951(7) A | — | (7) | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |
| Unit cell b | b = 30.1113(19) A | — | (19) | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |
| Unit cell c | c = 7.1767(7) A | — | (7) | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |
| Unit cell volume | 2527.3(3) A^3 | — | (3) | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |
| Cu-O ligand bond length | O(3)-Cu(1) 1.972(3) A | — | (3) | SI Table Exact Reported | Sheet2 · Table 3 · Table 3 |
| Cu-O out-of-plane water bond length | O(5)-Cu(1) 2.150(6) A | — | (6) | SI Table Exact Reported | Sheet2 · Table 3 · Table 3 |
| Cu-O water in-plane bond length | O(4)-Cu(1) 1.929(3) A | — | (3) | SI Table Exact Reported | Sheet2 · Table 3 · Table 3 |
| Calculated density | 1.943 Mg/m3 | — | — | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |
| Empirical formula | C8 H10 Cu N4 O9 | — | — | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |
| Final R1 for I > 2sigma(I) | R1 = 0.0286 | — | — | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |
| Crystal system and space group | Orthorhombic, F d d 2 | — | — | Table Exact Reported | 429 · 3.4 Single Crystal X-Ray Diffraction Studies · Table 1 |