Table 4 Crystallographic parameters for Ti(2,4-6)(O i Pr) 2
Compound reference | Ti(2)(OiPr)2 | Ti(4)(OiPr)2 | Ti(5)(OiPr)2 | Ti(6)(OiPr)2 |
|---|---|---|---|---|
Chemical formula | C35H56N2O4Ti | C35H56N2O4Ti | C45H76N2O4Ti | C40H60N2O4Ti |
Formula mass | 616.72 | 616.72 | 756.95 | 680.80 |
Crystal system | Triclinic | Monoclinic | Orthorhombic | Monoclinic |
a/Ã… | 11.2340(14) | 19.3720(7) | 10.9250(7) | 14.0530(2) |
b/Ã… | 12.4310(17) | 9.6520(4) | 14.7200(12) | 13.5820(2) |
c/Ã… | 13.3470(12) | 20.3950(10) | 27.1040(14) | 20.1480(4) |
α/° | 83.037(7) | 90.00 | 90 | 90 |
β/° | 71.297(6) | 116.015(2) | 90 | 91.5280(10) |
γ/° | 89.540(5) | 90.00 | 90 | 90 |
Unit cell volume/Ã…3 | 1751.5(4) | 3427.0(3) | 4358.8(5) | 3844.24(11) |
Temperature/K | 150(2) | 150(2) | 150(2) | 150(2) |
Space group |
| P21/a | P212121 | P21/n |
Z | 2 | 4 | 4 | 4 |
No. of reflections measured | 36743 | 21094 | 52730 | 66001 |
No. of independent reflections | 7965 | 5422 | 6899 | 6743 |
R int | 0.0877 | 0.1729 | 0.1339 | 0.1218 |
Final R 1 values (I > 2σ(I)) | 0.0564 | 0.0837 | 0.0607 | 0.0503 |
Final wR(F2) values (I > 2σ(I)) | 0.1265 | 0.1960 | 0.1452 | 0.1156 |
Final R 1 values (all data) | 0.1066 | 0.1272 | 0.0918 | 0.0830 |
Final wR(F2) values (all data) | 0.1497 | 0.2254 | 0.1651 | 0.1348 |
Goodness of fit on F2 | 1.034 | 1.079 | 1.039 | 1.027 |