Compound | 2 | 3 | 4 | 6 | 7 |
Crystal system | Monoclinic | Triclinic | Monoclinic | Monoclinic | Monoclinic |
Unitcell dimensions | a = 12.2068 (11) Å α = 90.00 deg b = 9.0967 (8) Å β = 113.431 (5) deg c = 11.9634 (10) Å γ = 90.00 deg | a = 6.8359 (6) Å α = 93.459 (3) deg b = 7.8261 (6) Å β = 101.485 (3) deg c = 11.9252 (10) Å γ = 106.323 deg | a = 9.5021 (3) Å α = 90.00 deg b = 20.2456 (6) Å β = 93.783 (2) deg c = 8.1203 (2) Å γ = 90.00 deg | a = 5.6645 (3) Å α = 90.00 deg b = 34.863 (2) Å β = 96.742 (2) deg c = 20.7049 (14) Å γ = 90.00) deg | a = 5.3864 (2) Å α = 90.00 deg b = 8.5106 (3) Å β = 94.1040 (10) deg c = 31.6002 (10) Å γ = 90.00 deg |
Volume | 1218.89 (19)Å3 | 595.40 (9) Å3 | 1558.75 (8) Å3 | 595.40 (9) Å3 | 1444.89 (9) Å3 |
Z/Calculated density | 4/1.298 mg/m3 | 2/1.329 mg/m3 | 4/1.271 mg/m3 | 8/1.225 mg/m3 | 4/1.307 mg/m3 |
Absorption Coefficient | 0.101 mm−1 | 0.104 mm−1 | 0.089 mm−1 | 0.083 mm−1 | 0.093 mm−1 |
Space group/F (000) | P 21/c/ 504 | P −1/252 | P 21/c/632 | C c/1584 | P 21/c/600 |
Limiting indices | −14 ≤ h ≤ 14 −10 ≤ k ≤10 −14 ≤ l ≤ 14 | −8 ≤ h ≤ 8 −9 ≤ k ≤ 9 −14 ≤ l ≤ 14 | −9 ≤ h ≤ 11 −24 ≤ k ≤ 20 −9 ≤ l ≤ 9 | −6 ≤ h ≤ 6 −42 ≤ k ≤ 41 −24 ≤ l ≤ 24 | −6 ≤ h ≤ 6 −10 ≤ k ≤ 10 −37 ≤ l ≤ 37 |
Reflection scollected unique/R (int) | 9089/2224/0.0367 | 9223/2181/0.0622 | 8788/2835/0.0528 | 32,474/6927/0.1218 | 16172 /2654/0.0702 |
Completeness to θ = 25.10 | 99.9% | 99.9% | 99.9% | 99.8% | 99.9% |
Max/min Transmission | 0.961/0.990 | 0.958/0.984 | 0.965/0.994 | 0.976/0.995 | 0.970/0.983 |
Data/restraints/parameters | 2224/0/160 | 2181/1/159 | 2835/0/201 | 6927/2/507 | 2654/1/194 |
Final R indices | R1= 0.0403 | R1= 0.0441 | R1= 0.0414 | R1= 0.0484 | R1= 0.0458 |
I > 2σ (I) | wR2 = 0.1182 | wR2 = 0.1228 | wR2 = 0.0880 | wR2 = 0.1137 | wR2 = 0.1111 |
R indices (all data) | R1 = 0.0553 wR2 = 0.1260 | R1 = 0.0517 wR2 = 0.1297 | R1 = 0.0717 wR2 = 0.1045 | R1 = 0.0773 wR2 = 0.1286 | R1 = 0.0790 wR2 = 0.128 |
Goodness-of-fit on F2 | 1.059 | 1.070 | 0.998 | 1.030 | 1.019 |
Largest diff. peak/hole | 0.211/−0.185 e.Å−3 | 0.178/−0.162 e.Å−3 | 0.208/−0.241 e.Å−3 | 0.150/−0.138 e.Å−3 | 0.189/−0.178 e.Å−3 |
CCDC deposition number | 1,825,526 | 1,825,528 | 1,825,527 | 1,825,529 | 1,825,523 |