The title compound (GaQ3), [Ga(C9H6NO)3], is the Ga analog of the most widely used organic light-emitting diode (OLED) material, AlQ3. Its molecular structure is a six-coordinated gallium compound, with the angles around the Ga3+ ion indicating approximate octahedral geometry. There is intermolecular π–π stacking of the ligands (8-hydroxyquinolines) in a multidirectional fashion.
Supporting information
CCDC reference: 234822
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- R factor = 0.050
- wR factor = 0.117
- Data-to-parameter ratio = 14.7
checkCIF/PLATON results
No syntax errors found
Alert level C
ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
Tmin and Tmax reported: 0.557 0.768
Tmin' and Tmax expected: 0.648 0.768
RR' = 0.858
Please check that your absorption correction is appropriate.
RINTA01_ALERT_3_C The value of Rint is greater than 0.10
Rint given 0.144
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.14
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.84
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19
N3 -GA1 -N1 -C9 146.70 0.90 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 24
N3 -GA1 -N1 -C1 -36.30 1.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 39
N1 -GA1 -N3 -C27 108.50 1.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44
N1 -GA1 -N3 -C19 -71.20 1.00 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
8 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 ALERT type 2 Indicator that the structure model may be wrong or deficient
4 ALERT type 3 Indicator that the structure quality may be low
4 ALERT type 4 Improvement, methodology, query or suggestion