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. 2012 Mar 17;68(Pt 4):o1079. doi: 10.1107/S1600536812010707
x y z Uiso*/Ueq
Cl1 0.43413 (5) 0.26184 (11) 0.43593 (6) 0.1157 (4)
Cl2 0.46637 (5) 0.46291 (14) 0.15497 (6) 0.1363 (4)
N1 0.14645 (12) 0.6342 (2) 0.52429 (10) 0.0574 (5)
N2 0.07370 (12) 0.6759 (3) 0.50355 (10) 0.0576 (6)
N3 0.15526 (12) 0.6563 (2) 0.26936 (11) 0.0604 (6)
N4 0.07935 (12) 0.6606 (3) 0.24935 (10) 0.0600 (6)
O1 0.25873 (11) 0.6596 (3) 0.61141 (10) 0.0842 (6)
H1 0.2159 0.6780 0.5939 0.126*
O2 0.06353 (10) 0.7996 (2) 0.60402 (9) 0.0713 (5)
O3 −0.26093 (11) 0.9580 (2) 0.46447 (10) 0.0847 (6)
O4 0.26641 (13) 0.7120 (3) 0.35609 (11) 0.1122 (8)
H4 0.2214 0.7009 0.3429 0.168*
O5 0.04802 (10) 0.6214 (2) 0.35756 (9) 0.0716 (5)
O6 −0.27527 (11) 0.6996 (3) 0.19814 (10) 0.0878 (6)
C1 0.26287 (14) 0.5095 (3) 0.50765 (14) 0.0598 (7)
C2 0.29662 (16) 0.5671 (3) 0.56912 (15) 0.0680 (8)
C3 0.37158 (18) 0.5317 (4) 0.58736 (17) 0.0892 (10)
H3 0.3944 0.5729 0.6280 0.107*
C4 0.41271 (18) 0.4375 (4) 0.5469 (2) 0.0911 (10)
H4A 0.4631 0.4129 0.5602 0.109*
C5 0.38012 (16) 0.3790 (4) 0.48679 (18) 0.0792 (9)
C6 0.30662 (15) 0.4144 (3) 0.46739 (15) 0.0732 (8)
H6 0.2851 0.3739 0.4261 0.088*
C7 0.18546 (14) 0.5496 (3) 0.48577 (14) 0.0610 (7)
H7 0.1643 0.5136 0.4436 0.073*
C8 0.03506 (14) 0.7664 (3) 0.54710 (14) 0.0549 (6)
C9 −0.04190 (14) 0.8190 (3) 0.52330 (12) 0.0517 (6)
C10 −0.07920 (15) 0.7694 (3) 0.46248 (13) 0.0648 (7)
H10 −0.0546 0.7010 0.4334 0.078*
C11 −0.15120 (16) 0.8190 (3) 0.44458 (14) 0.0700 (8)
H11 −0.1753 0.7849 0.4032 0.084*
C12 −0.18882 (16) 0.9187 (3) 0.48663 (14) 0.0635 (7)
C13 −0.15250 (16) 0.9716 (3) 0.54685 (13) 0.0663 (7)
H13 −0.1770 1.0408 0.5756 0.080*
C14 −0.08003 (15) 0.9212 (3) 0.56394 (13) 0.0637 (7)
H14 −0.0555 0.9576 0.6048 0.076*
C15 −0.30577 (17) 1.0475 (4) 0.50860 (17) 0.0905 (10)
H15A −0.3096 0.9908 0.5511 0.136*
H15B −0.3559 1.0628 0.4869 0.136*
H15C −0.2823 1.1496 0.5177 0.136*
C16 0.28167 (14) 0.6057 (3) 0.24456 (14) 0.0608 (7)
C17 0.31081 (17) 0.6535 (4) 0.30840 (17) 0.0820 (9)
C18 0.3881 (2) 0.6417 (5) 0.3241 (2) 0.1183 (14)
H18 0.4081 0.6743 0.3672 0.142*
C19 0.4352 (2) 0.5837 (5) 0.2780 (2) 0.1143 (13)
H19 0.4873 0.5763 0.2896 0.137*
C20 0.40683 (16) 0.5361 (4) 0.21483 (19) 0.0863 (10)
C21 0.33051 (15) 0.5475 (3) 0.19787 (15) 0.0730 (8)
H21 0.3112 0.5156 0.1544 0.088*
C22 0.20133 (15) 0.6144 (3) 0.22551 (14) 0.0623 (7)
H22 0.1833 0.5891 0.1809 0.075*
C23 0.02814 (14) 0.6472 (3) 0.29745 (14) 0.0549 (6)
C24 −0.05182 (14) 0.6598 (3) 0.27157 (12) 0.0520 (6)
C25 −0.10656 (15) 0.5695 (3) 0.30053 (13) 0.0618 (7)
H25 −0.0924 0.5008 0.3367 0.074*
C26 −0.18192 (15) 0.5784 (3) 0.27714 (14) 0.0661 (7)
H26 −0.2182 0.5148 0.2968 0.079*
C27 −0.20315 (15) 0.6807 (3) 0.22506 (14) 0.0617 (7)
C28 −0.14915 (16) 0.7721 (3) 0.19611 (14) 0.0664 (7)
H28 −0.1637 0.8429 0.1608 0.080*
C29 −0.07463 (14) 0.7606 (3) 0.21823 (13) 0.0584 (7)
H29 −0.0385 0.8215 0.1972 0.070*
C30 −0.33470 (17) 0.6190 (5) 0.23012 (19) 0.1119 (12)
H30A −0.3272 0.5057 0.2270 0.168*
H30B −0.3829 0.6472 0.2073 0.168*
H30C −0.3342 0.6498 0.2777 0.168*
H2 0.0577 (14) 0.658 (3) 0.4600 (7) 0.080*
H4B 0.0664 (14) 0.662 (3) 0.2044 (6) 0.080*