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. 2010 Nov 27;66(Pt 12):m1681. doi: 10.1107/S1600536810049007
x y z Uiso*/Ueq
Al1 0.22665 (7) 0.79946 (6) 0.78731 (6) 0.0419 (3)
P1 −0.16571 (10) 0.71060 (10) 0.62146 (10) 0.0880 (4)
P2 0.18913 (13) 1.08771 (11) 0.97295 (11) 0.1047 (5)
N1 0.0608 (2) 0.7524 (2) 0.7248 (2) 0.0574 (6)
N2 −0.0133 (3) 0.7202 (4) 0.7910 (3) 0.1033 (13)
N3 0.2190 (2) 0.9204 (2) 0.86843 (18) 0.0537 (6)
N4 0.3412 (2) 0.9627 (2) 0.9076 (2) 0.0652 (7)
N5 0.3149 (2) 0.70050 (18) 0.86114 (16) 0.0479 (6)
N6 0.3367 (2) 0.83042 (17) 0.69477 (16) 0.0435 (5)
C1 −0.1375 (5) 0.6917 (5) 0.7425 (4) 0.125 (2)
H1 −0.2025 0.6632 0.7766 0.149*
C2 −0.0057 (4) 0.7533 (3) 0.6309 (3) 0.0762 (10)
H2 0.0327 0.7753 0.5763 0.091*
C3 0.1292 (3) 0.9771 (3) 0.8954 (3) 0.0717 (9)
H3 0.0415 0.9581 0.8738 0.086*
C4 0.3387 (4) 1.0485 (3) 0.9637 (3) 0.0806 (11)
H4 0.4141 1.0871 0.9975 0.097*
C5 0.5225 (3) 0.6473 (3) 0.9408 (3) 0.0738 (10)
H5A 0.5084 0.6655 1.0076 0.111*
H5B 0.6123 0.6638 0.9364 0.111*
H5C 0.4967 0.5722 0.9253 0.111*
C6 0.4445 (3) 0.7107 (2) 0.8674 (2) 0.0504 (7)
C7 0.5112 (3) 0.7783 (2) 0.8092 (2) 0.0525 (7)
H7 0.6000 0.7900 0.8291 0.063*
C8 0.4642 (3) 0.8307 (2) 0.7260 (2) 0.0493 (7)
C9 0.5580 (3) 0.8893 (3) 0.6683 (3) 0.0737 (10)
H9A 0.5349 0.8682 0.5983 0.111*
H9B 0.6432 0.8721 0.6920 0.111*
H9C 0.5562 0.9651 0.6778 0.111*
C10 0.2540 (3) 0.6173 (3) 0.9171 (2) 0.0582 (8)
C11 0.2390 (3) 0.6407 (3) 1.0157 (3) 0.0725 (10)
C12 0.1862 (4) 0.5554 (5) 1.0671 (4) 0.0997 (16)
H12 0.1770 0.5676 1.1339 0.120*
C13 0.1485 (5) 0.4568 (5) 1.0230 (5) 0.1080 (17)
H13 0.1132 0.4027 1.0593 0.130*
C14 0.1618 (4) 0.4355 (4) 0.9258 (4) 0.0977 (14)
H14 0.1370 0.3667 0.8966 0.117*
C15 0.2122 (3) 0.5161 (3) 0.8695 (3) 0.0715 (10)
C16 0.2732 (4) 0.7513 (4) 1.0672 (3) 0.0849 (12)
H16 0.3084 0.7988 1.0194 0.102*
C17 0.3773 (6) 0.7541 (6) 1.1615 (3) 0.138 (2)
H17A 0.3416 0.7163 1.2133 0.207*
H17B 0.4057 0.8272 1.1849 0.207*
H17C 0.4491 0.7207 1.1450 0.207*
C18 0.1544 (5) 0.7959 (5) 1.0947 (4) 0.1133 (16)
H18A 0.0886 0.7905 1.0366 0.170*
H18B 0.1766 0.8697 1.1178 0.170*
H18C 0.1231 0.7555 1.1468 0.170*
C19 0.2203 (4) 0.4905 (3) 0.7606 (3) 0.0836 (11)
H19 0.2347 0.5587 0.7289 0.100*
C20 0.0958 (6) 0.4301 (5) 0.7050 (5) 0.142 (2)
H20A 0.0760 0.3648 0.7371 0.213*
H20B 0.1056 0.4137 0.6368 0.213*
H20C 0.0271 0.4737 0.7059 0.213*
C21 0.3319 (6) 0.4291 (5) 0.7488 (5) 0.149 (2)
H21A 0.4112 0.4722 0.7761 0.224*
H21B 0.3313 0.4118 0.6789 0.224*
H21C 0.3242 0.3642 0.7839 0.224*
C22 0.2938 (3) 0.8573 (2) 0.5916 (2) 0.0476 (6)
C23 0.2616 (3) 0.9594 (2) 0.5707 (2) 0.0548 (7)
C24 0.2151 (4) 0.9782 (3) 0.4717 (3) 0.0702 (9)
H24 0.1928 1.0458 0.4561 0.084*
C25 0.2012 (4) 0.8998 (4) 0.3964 (3) 0.0782 (10)
H25 0.1699 0.9140 0.3306 0.094*
C26 0.2336 (4) 0.8011 (3) 0.4187 (3) 0.0776 (10)
H26 0.2243 0.7484 0.3672 0.093*
C27 0.2802 (3) 0.7761 (3) 0.5160 (2) 0.0613 (8)
C28 0.2762 (4) 1.0491 (3) 0.6497 (3) 0.0691 (9)
H28 0.3124 1.0225 0.7140 0.083*
C29 0.3710 (4) 1.1436 (3) 0.6248 (3) 0.0898 (12)
H29A 0.4510 1.1183 0.6161 0.135*
H29B 0.3860 1.1975 0.6789 0.135*
H29C 0.3348 1.1737 0.5641 0.135*
C30 0.1480 (5) 1.0861 (4) 0.6605 (3) 0.0971 (14)
H30A 0.1175 1.1232 0.6023 0.146*
H30B 0.1579 1.1336 0.7193 0.146*
H30C 0.0869 1.0252 0.6669 0.146*
C31 0.3132 (4) 0.6642 (3) 0.5355 (3) 0.0788 (10)
H31 0.3299 0.6582 0.6084 0.095*
C32 0.2037 (7) 0.5800 (4) 0.4934 (5) 0.143 (2)
H32A 0.1274 0.5943 0.5193 0.214*
H32B 0.2253 0.5107 0.5125 0.214*
H32C 0.1885 0.5813 0.4215 0.214*
C33 0.4358 (7) 0.6444 (5) 0.4945 (6) 0.163 (3)
H33A 0.4168 0.6331 0.4228 0.244*
H33B 0.4681 0.5822 0.5232 0.244*
H33C 0.4996 0.7056 0.5117 0.244*