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xyzUiso*/UeqOcc. (<1)
Hg0.87912 (2)0.305769 (14)0.873548 (12)0.06174 (8)
Cl11.04268 (15)0.36276 (12)0.73426 (9)0.0791 (3)
Cl20.63148 (16)0.21091 (10)0.83674 (11)0.0794 (4)
N11.0536 (5)0.1777 (3)0.9449 (3)0.0636 (10)
C21.1638 (6)0.1270 (4)0.8923 (4)0.0799 (14)
H21.17080.13990.82390.096*
C31.2665 (7)0.0573 (5)0.9348 (5)0.0911 (17)
H31.34250.02350.89630.109*
C41.2548 (7)0.0381 (5)1.0354 (6)0.0959 (18)
H41.3227−0.00931.06650.115*
C51.1423 (6)0.0898 (4)1.0893 (4)0.0792 (14)
H51.13320.07791.15780.095*
C61.0426 (5)0.1592 (3)1.0422 (3)0.0576 (10)
C70.9172 (6)0.2192 (4)1.0981 (4)0.0727 (13)
H7A0.8150.18471.09140.087*
H7B0.94470.22281.16880.087*
N80.9085 (9)0.3260 (5)1.0549 (3)0.0594 (19)0.794 (14)
H81.00330.3581.06710.071*0.794 (14)
N8A0.807 (3)0.2914 (15)1.0593 (11)0.048 (7)0.206 (14)
H8A0.71010.25991.06150.057*0.206 (14)
C90.7863 (6)0.3898 (4)1.0952 (3)0.0746 (14)
H9A0.82040.41611.16010.09*
H9B0.69180.34781.10530.09*
C100.7454 (5)0.4802 (4)1.0282 (3)0.0590 (11)
C110.6733 (5)0.5697 (4)1.0649 (4)0.0707 (13)
H110.65230.57631.13290.085*
C120.6337 (6)0.6482 (4)0.9995 (4)0.0766 (14)
H120.58420.70811.02290.092*
C130.6666 (6)0.6383 (4)0.9010 (4)0.0742 (13)
H130.64080.69120.8560.089*
C140.7391 (5)0.5482 (4)0.8685 (3)0.0669 (12)
H140.76220.54130.80070.08*
N150.7774 (4)0.4704 (3)0.9307 (2)0.0563 (8)