Skip to main content
. 2008 Oct 9;64(Pt 11):m1377–m1378. doi: 10.1107/S1600536808031887
x y z Uiso*/Ueq Occ. (<1)
Co1 0.50476 (4) 0.57650 (2) 0.75640 (2) 0.04751 (16)
Cl1 0.10093 (14) 0.50610 (10) 0.55336 (8) 0.1022 (5)
O1 0.6076 (3) 0.65694 (14) 0.76901 (15) 0.0568 (7)
O2 0.5983 (3) 0.55521 (14) 0.67367 (15) 0.0619 (7)
O3 0.1244 (5) 0.5541 (3) 0.4915 (2) 0.1324 (18)
O4 0.2142 (4) 0.4859 (3) 0.5844 (3) 0.1202 (15)
O5 0.0367 (5) 0.4459 (4) 0.5318 (4) 0.175 (3)
O6 0.0303 (5) 0.5444 (3) 0.6048 (3) 0.1398 (18)
O7 0.6798 (12) 0.6643 (6) 0.5737 (6) 0.153 (4)* 0.50
H7 0.6495 0.6359 0.6022 0.230* 0.50
O8 0.9347 (13) 0.6770 (6) 0.5559 (7) 0.163 (4)* 0.50
H8C 0.8572 0.6746 0.5606 0.195* 0.50
H8D 0.9657 0.6377 0.5703 0.195* 0.50
N1 0.4061 (3) 0.59406 (15) 0.83873 (17) 0.0460 (7)
N2 0.3989 (3) 0.49659 (15) 0.74280 (16) 0.0462 (7)
N3 0.6234 (3) 0.52046 (17) 0.81394 (17) 0.0506 (8)
N4 0.4010 (4) 0.63945 (18) 0.6973 (2) 0.0601 (9)
C1 0.5455 (4) 0.68095 (18) 0.8912 (2) 0.0498 (9)
C2 0.6202 (4) 0.69134 (19) 0.8297 (2) 0.0497 (9)
C3 0.7149 (4) 0.7448 (2) 0.8337 (3) 0.0571 (10)
H3 0.7637 0.7540 0.7938 0.069*
C4 0.7341 (4) 0.7824 (2) 0.8957 (3) 0.0607 (11)
H4 0.7955 0.8171 0.8973 0.073*
C5 0.6637 (4) 0.7697 (2) 0.9561 (3) 0.0632 (11)
H5 0.6799 0.7947 0.9982 0.076*
C6 0.5700 (4) 0.7204 (2) 0.9542 (2) 0.0578 (10)
H6 0.5222 0.7129 0.9948 0.069*
C7 0.4382 (4) 0.63562 (19) 0.8909 (2) 0.0477 (9)
H7A 0.3883 0.6364 0.9313 0.057*
C8 0.5417 (3) 0.4304 (2) 0.6702 (2) 0.0482 (8)
C9 0.5718 (4) 0.3609 (2) 0.6450 (2) 0.0578 (10)
H9 0.5178 0.3231 0.6536 0.069*
C10 0.6775 (4) 0.3479 (2) 0.6087 (3) 0.0666 (12)
H10 0.6975 0.3016 0.5941 0.080*
C11 0.7546 (4) 0.4046 (3) 0.5938 (3) 0.0729 (13)
H11 0.8273 0.3959 0.5692 0.087*
C12 0.7280 (4) 0.4727 (3) 0.6140 (3) 0.0688 (12)
H12 0.7809 0.5098 0.6013 0.083*
C13 0.6209 (4) 0.4882 (2) 0.6542 (2) 0.0539 (10)
C14 0.4274 (3) 0.4402 (2) 0.7069 (2) 0.0493 (9)
H14 0.3701 0.4033 0.7045 0.059*
C15 0.2981 (3) 0.5456 (2) 0.8473 (2) 0.0473 (9)
H15 0.3202 0.5088 0.8826 0.057*
C16 0.2763 (3) 0.5075 (2) 0.7757 (2) 0.0486 (9)
H16 0.2305 0.5406 0.7448 0.058*
C17 0.1814 (3) 0.5823 (2) 0.8738 (2) 0.0510 (9)
C18 0.1280 (4) 0.6393 (3) 0.8389 (3) 0.0713 (12)
H18 0.1664 0.6588 0.7989 0.086*
C19 0.0192 (4) 0.6679 (3) 0.8621 (3) 0.0758 (13)
H19 −0.0159 0.7057 0.8367 0.091*
C20 −0.0378 (4) 0.6424 (2) 0.9208 (3) 0.0686 (12)
H20 −0.1112 0.6629 0.9361 0.082*
C21 0.0128 (4) 0.5855 (2) 0.9584 (2) 0.0649 (11)
H21 −0.0263 0.5672 0.9988 0.078*
C22 0.1243 (4) 0.5560 (2) 0.9345 (2) 0.0536 (9)
H22 0.1601 0.5183 0.9598 0.064*
C23 0.1990 (4) 0.4396 (2) 0.7842 (2) 0.0571 (10)
C24 0.2292 (6) 0.3877 (3) 0.8359 (3) 0.0832 (15)
H24 0.2987 0.3929 0.8644 0.100*
C25 0.1518 (7) 0.3278 (3) 0.8433 (4) 0.105 (2)
H25 0.1708 0.2934 0.8776 0.126*
C26 0.0507 (6) 0.3185 (4) 0.8023 (4) 0.1008 (18)
H26 0.0012 0.2783 0.8083 0.121*
C27 0.0227 (5) 0.3690 (4) 0.7522 (4) 0.1023 (19)
H27 −0.0467 0.3632 0.7237 0.123*
C28 0.0970 (4) 0.4298 (3) 0.7429 (3) 0.0739 (12)
H28 0.0765 0.4637 0.7084 0.089*
C29 0.5918 (4) 0.4749 (2) 0.8660 (3) 0.0630 (11)
H29 0.5086 0.4681 0.8749 0.076*
C30 0.6749 (5) 0.4372 (3) 0.9074 (3) 0.0778 (13)
H30 0.6486 0.4067 0.9437 0.093*
C31 0.7970 (5) 0.4464 (4) 0.8932 (4) 0.0970 (19)
H31 0.8562 0.4212 0.9188 0.116*
C32 0.8306 (4) 0.4940 (3) 0.8399 (4) 0.0849 (16)
H32 0.9133 0.5017 0.8301 0.102*
C33 0.7431 (4) 0.5298 (2) 0.8013 (3) 0.0631 (11)
H33 0.7675 0.5615 0.7654 0.076*
C34 0.3626 (6) 0.6221 (3) 0.6330 (3) 0.0879 (17)
H34 0.3810 0.5764 0.6160 0.105*
C35 0.2964 (7) 0.6674 (3) 0.5888 (4) 0.114 (3)
H35 0.2703 0.6521 0.5438 0.137*
C36 0.2701 (7) 0.7351 (4) 0.6125 (4) 0.117 (2)
H36 0.2287 0.7672 0.5829 0.140*
C37 0.3057 (6) 0.7558 (3) 0.6813 (4) 0.0915 (17)
H37 0.2856 0.8008 0.6996 0.110*
C38 0.3721 (5) 0.7068 (2) 0.7213 (3) 0.0691 (12)
H38 0.3985 0.7203 0.7668 0.083*
C39 0.5940 (19) 0.7285 (10) 0.5644 (10) 0.153 (4)* 0.50
H39A 0.5563 0.7398 0.6095 0.230* 0.50
H39B 0.5316 0.7170 0.5299 0.230* 0.50
H39C 0.6403 0.7692 0.5479 0.230* 0.50