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. 2009 May 29;65(Pt 6):m698–m699. doi: 10.1107/S1600536809019163
x y z Uiso*/Ueq Occ. (<1)
Co1 0.38297 (3) 0.731732 (17) 0.918800 (14) 0.01758 (9)
Cl1 −0.04116 (9) 0.89313 (5) 0.59051 (4) 0.0456 (2)
Cl2 0.95841 (7) 0.62065 (5) 0.72825 (4) 0.0405 (2)
Cl3 0.83243 (8) 0.62163 (5) 1.25879 (4) 0.0479 (2)
Cl4 −0.21035 (7) 0.85554 (4) 1.08795 (4) 0.03853 (19)
P1 0.45653 (6) 0.82911 (3) 0.94063 (3) 0.02090 (14)
P2 0.31178 (6) 0.63377 (3) 0.89761 (3) 0.02301 (15)
N1 0.4121 (2) 0.74303 (11) 0.84075 (9) 0.0209 (4)
N2 0.52919 (19) 0.69466 (11) 0.94034 (9) 0.0201 (4)
N3 0.35557 (19) 0.72185 (11) 0.99768 (9) 0.0196 (4)
N4 0.23561 (19) 0.76654 (11) 0.89676 (9) 0.0195 (4)
C1 0.2392 (2) 0.79044 (13) 0.79671 (11) 0.0226 (5)
C2 0.3451 (2) 0.77074 (14) 0.79673 (11) 0.0231 (5)
C3 0.3958 (3) 0.77163 (16) 0.74726 (12) 0.0294 (6)
H3 0.3667 0.7890 0.7118 0.035*
C4 0.4931 (3) 0.74300 (16) 0.76082 (12) 0.0288 (6)
H4 0.5448 0.7360 0.7367 0.035*
C5 0.5027 (2) 0.72517 (14) 0.81919 (11) 0.0235 (5)
C6 0.5919 (2) 0.69390 (13) 0.84806 (11) 0.0220 (5)
C7 0.6031 (2) 0.68083 (13) 0.90556 (11) 0.0219 (5)
C8 0.6994 (2) 0.65403 (14) 0.93724 (11) 0.0240 (5)
H8 0.7610 0.6396 0.9227 0.029*
C9 0.6855 (2) 0.65337 (14) 0.99187 (11) 0.0238 (5)
H9 0.7361 0.6391 1.0230 0.029*
C10 0.5798 (2) 0.67833 (13) 0.99367 (11) 0.0211 (5)
C11 0.5342 (2) 0.68264 (13) 1.04294 (11) 0.0205 (5)
C12 0.4285 (2) 0.70203 (13) 1.04315 (10) 0.0210 (5)
C13 0.3801 (3) 0.70369 (16) 1.09331 (12) 0.0282 (6)
H13 0.4138 0.6920 1.1301 0.034*
C14 0.2774 (3) 0.72507 (15) 1.07818 (12) 0.0276 (6)
H14 0.2251 0.7309 1.1022 0.033*
C15 0.2627 (2) 0.73723 (13) 1.01848 (11) 0.0220 (5)
C16 0.1684 (2) 0.76223 (13) 0.98752 (11) 0.0218 (5)
C17 0.1572 (2) 0.77464 (13) 0.93003 (11) 0.0217 (5)
C18 0.0608 (2) 0.80118 (14) 0.89788 (12) 0.0254 (6)
H18 −0.0043 0.8113 0.9114 0.031*
C19 0.0805 (2) 0.80901 (14) 0.84491 (12) 0.0252 (6)
H19 0.0318 0.8256 0.8141 0.030*
C20 0.1890 (2) 0.78753 (13) 0.84395 (11) 0.0222 (5)
C21 0.1737 (2) 0.81530 (14) 0.74356 (11) 0.0239 (5)
C22 0.1873 (3) 0.87534 (16) 0.72700 (14) 0.0340 (7)
H22 0.2418 0.9004 0.7480 0.041*
C23 0.1211 (3) 0.89881 (17) 0.67964 (14) 0.0383 (8)
H23 0.1297 0.9400 0.6685 0.046*
C24 0.0437 (3) 0.86243 (16) 0.64923 (12) 0.0309 (6)
C25 0.0300 (3) 0.80183 (16) 0.66358 (13) 0.0330 (7)
H25 −0.0229 0.7767 0.6415 0.040*
C26 0.0961 (3) 0.77879 (15) 0.71129 (12) 0.0295 (6)
H26 0.0879 0.7373 0.7219 0.035*
C27 0.6818 (2) 0.67604 (14) 0.81741 (11) 0.0236 (5)
C28 0.7724 (3) 0.71387 (16) 0.81846 (14) 0.0321 (7)
H28 0.7760 0.7515 0.8385 0.038*
C29 0.8572 (3) 0.69741 (17) 0.79075 (14) 0.0333 (7)
H29 0.9187 0.7233 0.7917 0.040*
C30 0.8499 (3) 0.64217 (16) 0.76158 (12) 0.0280 (6)
C31 0.7617 (3) 0.60412 (16) 0.75925 (12) 0.0290 (6)
H31 0.7584 0.5667 0.7389 0.035*
C32 0.6768 (2) 0.62110 (15) 0.78725 (12) 0.0262 (6)
H32 0.6153 0.5951 0.7858 0.031*
C33 0.6057 (2) 0.66694 (14) 1.09760 (11) 0.0221 (5)
C34 0.6741 (3) 0.71086 (17) 1.12511 (15) 0.0411 (9)
H34 0.6733 0.7510 1.1098 0.049*
C35 0.7442 (4) 0.69763 (19) 1.17488 (16) 0.0474 (10)
H35 0.7913 0.7283 1.1933 0.057*
C36 0.7443 (3) 0.63962 (16) 1.19687 (12) 0.0294 (6)
C37 0.6747 (4) 0.59564 (18) 1.17145 (16) 0.0482 (11)
H37 0.6738 0.5560 1.1876 0.058*
C38 0.6054 (4) 0.60970 (17) 1.12173 (16) 0.0495 (11)
H38 0.5569 0.5793 1.1041 0.059*
C39 0.0766 (2) 0.78129 (14) 1.01628 (11) 0.0229 (5)
C40 −0.0219 (3) 0.74974 (15) 1.00936 (14) 0.0300 (6)
H40 −0.0289 0.7122 0.9891 0.036*
C41 −0.1099 (3) 0.77219 (15) 1.03159 (14) 0.0309 (6)
H41 −0.1768 0.7505 1.0263 0.037*
C42 −0.0991 (3) 0.82624 (15) 1.06139 (13) 0.0284 (6)
C43 −0.0030 (3) 0.85783 (18) 1.07029 (16) 0.0388 (8)
H43 0.0037 0.8946 1.0917 0.047*
C44 0.0850 (3) 0.83526 (17) 1.04756 (15) 0.0350 (7)
H44 0.1517 0.8571 1.0535 0.042*
C45 0.4623 (3) 0.84880 (14) 1.01521 (12) 0.0288 (6)
H45A 0.3881 0.8440 1.0241 0.035*
H45B 0.5087 0.8179 1.0377 0.035*
C46 0.5035 (3) 0.91218 (14) 1.03605 (13) 0.0297 (6)
H46A 0.4737 0.9435 1.0079 0.036*
H46B 0.5837 0.9132 1.0400 0.036*
C47 0.4697 (3) 0.92759 (17) 1.09295 (15) 0.0365 (7)
H47A 0.4951 0.9695 1.1041 0.044*
H47B 0.3894 0.9276 1.0883 0.044*
C48 0.5142 (4) 0.8835 (2) 1.14015 (14) 0.0439 (9)
H48A 0.5934 0.8811 1.1435 0.066*
H48B 0.4826 0.8428 1.1317 0.066*
H48C 0.4952 0.8984 1.1757 0.066*
C49 0.3864 (3) 0.89276 (14) 0.90078 (13) 0.0272 (6)
H49A 0.4382 0.9272 0.9017 0.033*
H49B 0.3664 0.8797 0.8610 0.033*
C50 0.2849 (3) 0.91642 (15) 0.92055 (15) 0.0316 (7)
H50A 0.3052 0.9349 0.9584 0.038*
H50B 0.2355 0.8816 0.9239 0.038*
C51 0.2249 (3) 0.96417 (19) 0.88043 (18) 0.0437 (9)
H51A 0.2712 1.0011 0.8813 0.052* 0.70 (7)
H51B 0.2147 0.9475 0.8417 0.052* 0.70 (7)
H51C 0.1923 0.9457 0.8455 0.052* 0.30 (7)
H51D 0.2734 0.9961 0.8728 0.052* 0.30 (7)
C52B 0.130 (3) 0.986 (3) 0.908 (2) 0.058 (4) 0.30 (7)
H52A 0.0751 1.0060 0.8802 0.087* 0.30 (7)
H52B 0.1568 1.0160 0.9381 0.087* 0.30 (7)
H52C 0.0975 0.9514 0.9250 0.087* 0.30 (7)
C52A 0.1146 (13) 0.9831 (10) 0.8938 (13) 0.058 (4) 0.70 (7)
H52D 0.0656 0.9477 0.8893 0.087* 0.70 (7)
H52E 0.0841 1.0157 0.8680 0.087* 0.70 (7)
H52F 0.1232 0.9980 0.9327 0.087* 0.70 (7)
C53 0.5958 (3) 0.83288 (15) 0.92532 (16) 0.0324 (7)
H53A 0.6404 0.8039 0.9511 0.039*
H53B 0.5940 0.8171 0.8866 0.039*
C54 0.6553 (3) 0.89337 (17) 0.92935 (16) 0.0353 (7)
H54A 0.6093 0.9242 0.9066 0.042*
H54B 0.6672 0.9074 0.9690 0.042*
C55 0.7632 (3) 0.88982 (19) 0.90940 (19) 0.0447 (9)
H55A 0.7529 0.8686 0.8726 0.054* 0.66 (2)
H55B 0.8133 0.8646 0.9364 0.054* 0.66 (2)
H55C 0.7519 0.8858 0.8692 0.054* 0.34 (2)
H55D 0.8025 0.8545 0.9255 0.054* 0.34 (2)
C56A 0.8163 (8) 0.9517 (4) 0.9031 (6) 0.061 (2) 0.66 (2)
H56A 0.7713 0.9754 0.8735 0.092* 0.66 (2)
H56B 0.8885 0.9454 0.8931 0.092* 0.66 (2)
H56C 0.8234 0.9741 0.9388 0.092* 0.66 (2)
C56B 0.8325 (18) 0.9471 (8) 0.9283 (10) 0.061 (2) 0.34 (2)
H56D 0.7847 0.9825 0.9295 0.092* 0.34 (2)
H56E 0.8822 0.9550 0.9017 0.092* 0.34 (2)
H56F 0.8745 0.9400 0.9659 0.092* 0.34 (2)
C57 0.3621 (3) 0.57427 (15) 0.95002 (13) 0.0296 (6)
H57A 0.3564 0.5341 0.9306 0.036*
H57B 0.4402 0.5821 0.9635 0.036*
C58 0.3052 (3) 0.56885 (16) 1.00171 (13) 0.0328 (7)
H58A 0.3136 0.6078 1.0231 0.039*
H58B 0.2266 0.5616 0.9892 0.039*
C59 0.3534 (4) 0.51626 (18) 1.03979 (15) 0.0449 (9)
H59A 0.3389 0.4769 1.0195 0.054*
H59B 0.4332 0.5215 1.0493 0.054*
C60 0.3047 (4) 0.5144 (2) 1.09388 (16) 0.0535 (12)
H60A 0.2255 0.5107 1.0844 0.080*
H60B 0.3232 0.5523 1.1152 0.080*
H60C 0.3341 0.4792 1.1167 0.080*
C61 0.1631 (2) 0.63131 (14) 0.89282 (12) 0.0255 (6)
H61A 0.1452 0.6434 0.9298 0.031*
H61B 0.1311 0.6625 0.8651 0.031*
C62 0.1079 (3) 0.56971 (16) 0.87610 (14) 0.0321 (7)
H62A 0.1490 0.5365 0.8981 0.039*
H62B 0.1089 0.5619 0.8357 0.039*
C63 −0.0109 (3) 0.56917 (18) 0.88682 (14) 0.0363 (7)
H63A −0.0486 0.6062 0.8696 0.044*
H63B −0.0485 0.5329 0.8682 0.044*
C64 −0.0188 (3) 0.56764 (19) 0.94888 (15) 0.0396 (8)
H64A 0.0151 0.6045 0.9672 0.059*
H64B 0.0187 0.5312 0.9662 0.059*
H64C −0.0954 0.5662 0.9533 0.059*
C65 0.3362 (3) 0.59678 (15) 0.83241 (13) 0.0302 (6)
H65A 0.4153 0.5977 0.8318 0.036*
H65B 0.3146 0.5532 0.8337 0.036*
C66 0.2784 (3) 0.62395 (16) 0.77757 (13) 0.0347 (7)
H66A 0.2062 0.6391 0.7831 0.042*
H66B 0.3206 0.6595 0.7675 0.042*
C67 0.2639 (4) 0.5789 (2) 0.72945 (16) 0.0545 (12)
H67A 0.2123 0.5465 0.7367 0.065*
H67B 0.3345 0.5591 0.7274 0.065*
C68 0.2215 (4) 0.6094 (2) 0.67360 (15) 0.0514 (11)
H68A 0.2755 0.6386 0.6645 0.077*
H68B 0.1537 0.6311 0.6762 0.077*
H68C 0.2078 0.5782 0.6440 0.077*
Cl5 0.52807 (8) 0.45849 (4) 0.74529 (4) 0.0444 (2)
O1 0.4951 (3) 0.50384 (14) 0.78197 (15) 0.0561 (8)
O2 0.5615 (4) 0.40497 (17) 0.7797 (2) 0.0828 (13)
O3 0.6197 (3) 0.48022 (15) 0.72168 (15) 0.0553 (8)
O4 0.4411 (3) 0.4444 (3) 0.70195 (19) 0.0988 (17)