x

y

z

Uiso*/Ueq

C1

0.17271 (10)

0.68038 (9)

0.35411 (8)

0.01752 (19)

H1

0.1613

0.7278

0.2969

0.021*

C2

0.10691 (9)

0.69632 (9)

0.40965 (8)

0.01576 (18)

H2

0.0492

0.7537

0.3901

0.019*

C3

0.12487 (9)

0.62693 (8)

0.49683 (8)

0.01409 (17)

C4

0.21230 (10)

0.54235 (9)

0.52141 (9)

0.01694 (19)

H4

0.2281

0.4945

0.5793

0.020*

C5

0.27329 (10)

0.53025 (9)

0.46146 (9)

0.0194 (2)

H5

0.3307

0.4729

0.4777

0.023*

C6

−0.03134 (10)

0.72447 (10)

0.52349 (9)

0.0211 (2)

H6A

0.0041

0.7979

0.5284

0.032*

H6B

−0.0701

0.7206

0.5710

0.032*

H6C

−0.0903

0.7115

0.4513

0.032*

C7

0.08652 (11)

0.57280 (10)

0.64620 (9)

0.0206 (2)

H7A

0.0762

0.4944

0.6266

0.031*

H7B

0.0315

0.5931

0.6765

0.031*

H7C

0.1685

0.5858

0.6980

0.031*

N1

0.25385 (8)

0.59811 (8)

0.37942 (7)

0.01860 (18)

H1A

0.2945

0.5886

0.3421

0.022*

N2

0.06171 (8)

0.64013 (8)

0.55294 (7)

0.01696 (17)

Cl1

0.34860 (2)

0.68118 (2)

0.207499 (19)

0.01598 (6)

Cl2

0.42347 (2)

0.43620 (2)

0.32353 (2)

0.01864 (6)

Cu1

0.5000

0.559866 (14)

0.2500

0.01307 (5)