Skip to main content
. 2012 Jul 10;68(Pt 8):m1044. doi: 10.1107/S1600536812030577
x y z Uiso*/Ueq
Hg1 0.37072 (5) 0.63869 (6) 0.25091 (3) 0.04023 (14)
Br1 0.51422 (17) 0.90658 (15) 0.20946 (8) 0.0588 (5)
Br2 0.09847 (15) 0.50076 (19) 0.29179 (8) 0.0632 (5)
O1 0.9444 (9) 0.9090 (11) 0.3853 (4) 0.049 (3)
O2 0.8619 (10) 1.2308 (10) 0.4242 (4) 0.049 (3)
O3 0.5366 (11) 1.2813 (12) 0.4428 (4) 0.056 (3)
O4 0.1026 (9) 0.0570 (9) 0.1171 (4) 0.038 (2)
O5 −0.2179 (10) 0.1352 (9) 0.0797 (4) 0.046 (3)
O6 −0.2707 (9) 0.4636 (10) 0.0597 (4) 0.044 (3)
N1 0.5962 (12) 0.5309 (11) 0.3140 (4) 0.042 (3)
N2 0.4779 (10) 0.4141 (10) 0.1887 (4) 0.031 (3)
C1 0.6352 (14) 0.3621 (17) 0.2877 (6) 0.052 (4)
C2 0.6924 (14) 0.6232 (15) 0.3559 (6) 0.045 (4)
C3 0.6465 (14) 0.7939 (15) 0.3827 (5) 0.043 (4)
C4 0.7755 (15) 0.9297 (16) 0.3960 (5) 0.044 (4)
C5 0.7351 (14) 1.0908 (16) 0.4156 (6) 0.046 (4)
C6 0.5619 (15) 1.1177 (15) 0.4235 (6) 0.042 (4)
C7 0.4355 (14) 0.9766 (16) 0.4137 (6) 0.049 (4)
C8 0.4796 (14) 0.8155 (16) 0.3942 (5) 0.045 (4)
C9 0.9982 (15) 0.9674 (17) 0.3270 (6) 0.054 (5)
C10 0.9221 (18) 1.2691 (18) 0.4866 (7) 0.067 (5)
C11 0.3609 (16) 1.3144 (18) 0.4472 (7) 0.063 (5)
C12 0.6384 (12) 0.3677 (13) 0.2157 (5) 0.037 (3)
C13 0.3914 (13) 0.3135 (13) 0.1451 (5) 0.038 (4)
C14 0.2226 (13) 0.3556 (13) 0.1190 (5) 0.034 (3)
C15 0.0832 (13) 0.2238 (12) 0.1074 (5) 0.034 (3)
C16 −0.0803 (13) 0.2636 (13) 0.0872 (5) 0.037 (3)
C17 −0.1055 (14) 0.4365 (14) 0.0773 (5) 0.039 (4)
C18 0.0351 (14) 0.5662 (14) 0.0867 (5) 0.040 (4)
C19 0.1952 (15) 0.5265 (13) 0.1071 (5) 0.041 (4)
C20 0.0482 (16) 0.0059 (16) 0.1769 (6) 0.050 (4)
C21 −0.2585 (15) 0.0723 (17) 0.0148 (7) 0.057 (5)
C22 −0.3020 (16) 0.6398 (15) 0.0520 (7) 0.055 (5)
H1a 0.546622 0.273063 0.297768 0.0627*
H1b 0.746606 0.340413 0.304904 0.0627*
H2 0.798064 0.583586 0.371247 0.0537*
H7 0.316804 0.990139 0.420474 0.0587*
H8 0.391237 0.717756 0.38861 0.0538*
H9a 1.120159 0.961369 0.324628 0.0804*
H9b 0.935506 0.895556 0.292816 0.0804*
H9c 0.97558 1.085057 0.32375 0.0804*
H10a 1.022703 1.353925 0.488537 0.1007*
H10b 0.833294 1.314124 0.509965 0.1007*
H10c 0.952002 1.16573 0.504597 0.1007*
H11a 0.357791 1.43634 0.455575 0.095*
H11b 0.296018 1.275971 0.408037 0.095*
H11c 0.310931 1.252928 0.481018 0.095*
H12a 0.732679 0.450538 0.205595 0.0442*
H12b 0.657586 0.256372 0.197498 0.0442*
H13 0.436087 0.210774 0.129318 0.0457*
H18 0.019991 0.683646 0.078828 0.048*
H19 0.29061 0.617314 0.113552 0.0489*
H20a 0.090503 −0.101462 0.18577 0.0748*
H20b 0.093651 0.093536 0.209341 0.0748*
H20c −0.076121 −0.00902 0.176057 0.0748*
H21a −0.340801 −0.030218 0.013085 0.0848*
H21b −0.307063 0.159617 −0.007986 0.0848*
H21c −0.154633 0.04556 −0.003968 0.0848*
H22a −0.419337 0.64121 0.035716 0.0829*
H22b −0.283965 0.704837 0.092307 0.0829*
H22c −0.223713 0.690913 0.023017 0.0829*