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