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. 2009 Oct 31;65(Pt 11):o2913. doi: 10.1107/S1600536809044444
x y z Uiso*/Ueq
Cl1 0.92264 (17) 0.01264 (6) 0.17209 (4) 0.0623 (2)
O4 0.7689 (5) 0.14297 (17) −0.00572 (10) 0.0681 (6)
C16 0.8811 (6) 0.13347 (19) 0.05672 (13) 0.0463 (5)
O3 1.0794 (5) 0.19170 (18) 0.08873 (11) 0.0742 (7)
C15 0.7353 (7) 0.0407 (2) 0.09016 (14) 0.0616 (7)
H15A 0.7320 −0.0243 0.0596 0.074*
H15B 0.5276 0.0584 0.0954 0.074*
Cl2 0.8148 (2) 0.60659 (7) 0.34169 (5) 0.0862 (3)
O2 0.9854 (5) 0.38470 (15) 0.37047 (10) 0.0594 (5)
C14 0.8160 (6) 0.4192 (2) 0.41493 (13) 0.0497 (6)
O1 0.7445 (6) 0.36870 (18) 0.46320 (12) 0.0798 (7)
C13 0.6862 (8) 0.5308 (2) 0.40795 (16) 0.0632 (7)
H13A 0.7342 0.5722 0.4518 0.076*
H13B 0.4680 0.5230 0.3993 0.076*
N5 0.1724 (4) 0.18552 (15) 0.37450 (10) 0.0418 (4)
H5A 0.1093 0.2511 0.3762 0.050*
N6 0.1954 (5) 0.01175 (16) 0.42234 (10) 0.0467 (5)
C10 0.1065 (6) 0.11536 (19) 0.42261 (12) 0.0436 (5)
C9 0.4323 (6) 0.0461 (2) 0.32177 (13) 0.0502 (6)
H9A 0.5446 0.0210 0.2870 0.060*
C12 0.3572 (6) −0.02223 (19) 0.37232 (13) 0.0477 (5)
C8 0.3363 (5) 0.15178 (19) 0.32440 (12) 0.0430 (5)
N4 −0.0552 (6) 0.15065 (18) 0.47176 (12) 0.0610 (6)
H4A −0.1012 0.1075 0.5026 0.073*
H4B −0.1145 0.2167 0.4729 0.073*
C7 0.4002 (7) 0.2310 (2) 0.27171 (13) 0.0554 (6)
H7A 0.3149 0.2998 0.2829 0.083*
H7B 0.3119 0.2038 0.2266 0.083*
H7C 0.6146 0.2402 0.2718 0.083*
C11 0.4550 (8) −0.1383 (2) 0.37303 (18) 0.0689 (8)
H11A 0.3841 −0.1721 0.4118 0.103*
H11B 0.6715 −0.1400 0.3770 0.103*
H11C 0.3719 −0.1768 0.3308 0.103*
N2 0.0615 (5) 0.69331 (16) 0.07225 (10) 0.0457 (5)
H2A 0.1088 0.7470 0.0486 0.055*
N3 −0.2359 (5) 0.53279 (17) 0.07940 (11) 0.0489 (5)
C6 −0.0956 (6) 0.5215 (2) 0.14272 (13) 0.0493 (6)
N1 −0.2951 (5) 0.63311 (18) −0.01745 (11) 0.0566 (6)
H1A −0.4349 0.5876 −0.0354 0.068*
H1B −0.2464 0.6878 −0.0401 0.068*
C4 −0.1547 (5) 0.61899 (19) 0.04524 (12) 0.0443 (5)
C2 0.2013 (5) 0.6821 (2) 0.13654 (13) 0.0472 (5)
C3 0.1249 (6) 0.5956 (2) 0.17351 (14) 0.0520 (6)
H3B 0.2183 0.5868 0.2181 0.062*
C1 0.4302 (6) 0.7682 (2) 0.16441 (15) 0.0594 (7)
H1C 0.4485 0.8204 0.1300 0.089*
H1D 0.6220 0.7355 0.1759 0.089*
H1E 0.3673 0.8039 0.2052 0.089*
C5 −0.1883 (8) 0.4234 (2) 0.17923 (16) 0.0657 (8)
H5B −0.3422 0.3821 0.1499 0.099*
H5C −0.2654 0.4466 0.2216 0.099*
H5D −0.0162 0.3788 0.1896 0.099*