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. 2013 Oct 2;69(Pt 11):m573. doi: 10.1107/S1600536813026524
x y z Uiso*/Ueq
Zn1 1.32995 (12) 0.41377 (10) 0.39336 (8) 0.0404 (4)
Cl1 1.4508 (3) 0.6199 (2) 0.45651 (17) 0.0448 (6)
Cl2 0.4395 (3) 0.9322 (2) 0.6822 (2) 0.0584 (8)
F1 0.7971 (10) −0.0762 (7) −0.0678 (5) 0.086 (2)
F2 0.6122 (9) 0.2436 (7) −0.0664 (4) 0.083 (2)
F3 0.8098 (7) 0.2576 (6) 0.7540 (4) 0.0657 (18)
F4 1.2544 (8) 0.3386 (7) 0.9953 (4) 0.079 (2)
N1 0.5148 (8) 0.3554 (8) 0.1793 (5) 0.043 (2)
N2 0.5348 (9) 0.4724 (7) 0.1718 (6) 0.048 (2)
N3 0.4536 (8) 0.4152 (7) 0.2976 (5) 0.041 (2)
N4 1.1903 (9) 0.4025 (7) 0.4804 (5) 0.041 (2)
N5 1.0061 (8) 0.3403 (6) 0.5307 (5) 0.0335 (18)
N6 1.0891 (8) 0.4430 (6) 0.5911 (5) 0.0345 (18)
N7 1.1616 (8) 0.4340 (7) 0.2632 (5) 0.041 (2)
N8 1.0182 (9) 0.4016 (9) 0.1051 (6) 0.054 (2)
N9 0.9478 (8) 0.4220 (7) 0.1671 (5) 0.0388 (19)
N10 0.7509 (8) −0.2201 (7) 0.6379 (5) 0.0393 (19)
N11 0.8367 (9) −0.0419 (7) 0.7239 (6) 0.048 (2)
N12 0.7677 (8) −0.0339 (7) 0.6293 (5) 0.0381 (19)
O1 0.7534 (7) 0.2765 (6) 0.2468 (4) 0.0446 (17)
H1 0.6956 0.2212 0.2602 0.067*
O2 0.9802 (7) 0.1089 (6) 0.5651 (4) 0.0417 (16)
H2 0.9323 0.0797 0.5087 0.063*
O3 0.5759 (12) 0.8041 (10) 0.3197 (8) 0.106 (4)
H3A 0.5660 0.8728 0.3247 0.127*
H3B 0.5394 0.7628 0.3585 0.127*
O4 0.1267 (8) 0.9438 (6) 0.6285 (5) 0.055 (2)
H4A 0.0960 0.9921 0.6543 0.065*
H4B 0.2165 0.9582 0.6394 0.065*
C1 0.7769 (15) 0.0150 (10) −0.0176 (9) 0.061 (3)
C2 0.7008 (14) 0.0812 (11) −0.0685 (8) 0.061 (3)
H2A 0.6611 0.0669 −0.1366 0.073*
C3 0.6831 (12) 0.1716 (11) −0.0163 (8) 0.055 (3)
C4 0.7305 (10) 0.1914 (8) 0.0866 (6) 0.037 (2)
C5 0.8047 (12) 0.1152 (9) 0.1326 (7) 0.048 (3)
H5 0.8379 0.1228 0.2009 0.058*
C6 0.8309 (14) 0.0295 (9) 0.0817 (8) 0.059 (3)
H6 0.8848 −0.0178 0.1146 0.071*
C7 0.7064 (10) 0.2849 (8) 0.1446 (6) 0.038 (2)
C8 0.5481 (11) 0.2778 (9) 0.1112 (7) 0.044 (2)
H8A 0.5219 0.3018 0.0456 0.053*
H8B 0.4911 0.1963 0.1083 0.053*
C9 0.4661 (10) 0.3227 (9) 0.2527 (7) 0.043 (2)
H9 0.4441 0.2460 0.2701 0.051*
C10 0.4963 (11) 0.5041 (9) 0.2440 (7) 0.045 (2)
H10 0.4978 0.5816 0.2584 0.054*
C11 1.1463 (11) 0.4096 (10) 0.1657 (7) 0.050 (3)
H11 1.2202 0.3997 0.1446 0.060*
C12 1.0311 (11) 0.4394 (8) 0.2601 (7) 0.042 (2)
H12 1.0035 0.4532 0.3144 0.051*
C13 0.7955 (10) 0.4106 (9) 0.1330 (7) 0.045 (3)
H13A 0.7669 0.4244 0.0644 0.054*
H13B 0.7766 0.4699 0.1706 0.054*
C14 0.9018 (10) 0.1666 (8) 0.6051 (6) 0.035 (2)
C15 0.9956 (10) 0.2149 (8) 0.7112 (6) 0.036 (2)
C16 0.9466 (11) 0.2552 (8) 0.7784 (7) 0.043 (2)
C17 1.0282 (12) 0.2959 (9) 0.8753 (6) 0.047 (3)
H17 0.9900 0.3211 0.9202 0.056*
C18 1.1686 (12) 0.2967 (10) 0.9008 (6) 0.050 (3)
C19 1.2280 (12) 0.2644 (9) 0.8356 (7) 0.052 (3)
H19 1.3248 0.2691 0.8550 0.062*
C20 1.1427 (10) 0.2248 (8) 0.7411 (7) 0.040 (2)
H20 1.1826 0.2039 0.6955 0.048*
C21 0.7561 (10) 0.0805 (8) 0.5970 (7) 0.043 (2)
H21A 0.7120 0.1149 0.6367 0.052*
H21B 0.6944 0.0683 0.5292 0.052*
C22 0.7170 (11) −0.1387 (9) 0.5789 (7) 0.045 (3)
H22 0.6653 −0.1546 0.5122 0.054*
C23 0.8252 (11) −0.1510 (9) 0.7257 (7) 0.046 (3)
H23 0.8644 −0.1822 0.7827 0.056*
C24 1.0684 (10) 0.3188 (8) 0.4666 (6) 0.038 (2)
H24 1.0314 0.2539 0.4187 0.046*
C25 1.1980 (11) 0.4760 (8) 0.5568 (6) 0.038 (2)
H25 1.2742 0.5445 0.5829 0.045*
C26 0.8744 (10) 0.2674 (8) 0.5427 (7) 0.038 (2)
H26A 0.8054 0.2338 0.4787 0.046*
H26B 0.8341 0.3160 0.5745 0.046*