| FITZAJ | FITZAJ01 | This work [CCDC: 1532364] |
---|---|---|---|
Crystal morphology | Colourless platelets | Yellow block | Yellow block |
Data collection temperature (K) | 291 (2) | 173 (2) | 180 (2) |
Radiation | Cu (1.54178Â Ã…) | Mo (0.71073Â Ã…) | Cu (1.54178Â Ã…) |
Crystal system | Triclinic | Triclinic | Triclinic |
Space group | PĪ | PĪ | PĪ |
a (Ã…) | 7.440 (1) | 7.4659 (8) | 7.4432 (15) |
b (Ã…) | 10.164 (1) | 10.0257 (12) | 9.993 (2) |
c (Ã…) | 16.666 (2) | 16.7147 (19) | 16.648 (3) |
α (°) | 77.43 (1) | 77.579 (9) | 77.55 (2) |
β (°) | 88.75 (1) | 87.490 (9) | 87.54 (3) |
γ (°) | 88.56 (1) | 86.937 (9) | 87.09 (3) |
Volume (Ã…3) | 1229.5 | 1219.4 (2) | 1207.0 (4) |
No. of reflections used | 4251 | 4567 | 4571 |
No. of observed reflections | 3186 [F o  > 3sig*] | 3300 [I > 2sig(I)] | 3786 [I > 2sig(I)] |
Z, Z′ | 4, 2 | 4, 2 | 4, 2 |
R 1 factor | 0.090 | 0.0739 | 0.0360 |
Calculated density (g/cm3) | 1.37 | 1.380 | 1.394 |
Packing coefficient | 67.8 | 67.3 | 68.0 |