162
6 Thermo-Responsive Phosphorescence Control Mediated …
Table 6.2 (continued)
Compound
1 at 233 K
1 at 253 K
1 at 273 K
1 at 298 K
c (Å)
14.267(2)
14.266(2)
14.292(4)
14.3149(19)
α (°)
69.105(4)
69.224(4)
69.463(8)
69.614(3)
β (°)
67.658(4)
67.495(4)
67.245(8)
67.344(4)
γ (°)
65.451(4)
65.403(4)
65.456(6)
65.315(4)
V (Å 3 )
1983.3(5)
1986.7(6)
1998.4(10)
2005.7(5)
Space group
P-1(#2)
P-1(#2)
P-1(#2)
P-1(#2)
Z value
2
2
2
2
D calc (g cm −3 )
1.927
1.923
1.912
1.905
Temperature (K) 233
253
273
298
2θ max (°)
55.0
55.0
55.0
55.0
μ(Mo K α )
(cm −1 )
75.565
75.432
74.993
74.719
No. of
reflections
Total: 19,627
Total: 19,611
Total: 19,718
Total: 19,774
Unique: 9004
Unique: 9011
Unique: 9078
Unique: 9106
R int = 0.1006
R int = 0.1007
R int = 0.1147
R int = 0.1013
R 1
a
0.0887
0.0983
0.0877
0.0938
wR 2
b
0.3413
0.3645
0.3429
0.3550
GOF c
0.966
1.022
0.922
0.815
Max./mini. peak
I d (Å 3 )
1.96 e − /−3.34
e −
1.83 e − /−3.03
e −
2.05 e − /−1.80
e −
1.62 e − /−2.23
e −
Compound
2 at 123 K
2 at 193 K
2 at 213 K
2 at 233 K
CCDC number
1568253
1568255
1568260
1568261
Empirical
formula
C 50 H 36 Au 2 F 6 P 2 C 50 H 36 Au 2 F 6 P 2 C 50 H 36 Au 2 F 6 P 2 C 50 H 36 Au 2 F 6 P 2
Formula weight
1206.71
1206.71
1206.71
1206.71
Crystal system
Monoclinic
Monoclinic
Monoclinic
Monoclinic
Crystal size
(mm)
0.175 × 0.170
× 0.065
0.175 × 0.170
× 0.065
0.176 × 0.171
× 0.066
0.205 × 0.192
× 0.067
a (Å)
30.890(2)
31.070(3)
31.171(2)
31.370(8)
b (Å)
14.5763(9)
14.5498(11)
14.5681(8)
14.641(3)
c (Å)
19.1589(12)
19.1760(14)
19.2032(11)
19.272(4)
α (°)
90
90
90
90
β (°)
97.7949(15)
97.356(2)
97.2997(16)
97.170(4)
γ (°)
90
90
90
90
V (Å 3 )
8546.8(10)
8597.5(12)
8649.5(9)
8782(3)
Space group
C2/c(#15)
C2/c(#15)
C2/c(#15)
C2/c(#15)
Z value
8
8
8
8
(continued)