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. 2011 Oct 22;67(Pt 11):m1551. doi: 10.1107/S1600536811041237
x y z Uiso*/Ueq
Sb1 0.91679 (3) 0.20198 (3) 0.387503 (15) 0.02665 (9)
Sb2 0.66946 (3) 0.33966 (2) 0.362555 (16) 0.02828 (10)
Sb3 0.75841 (3) 0.12411 (2) 0.410855 (16) 0.02666 (9)
Sb4 0.70480 (3) 0.19402 (3) 0.506203 (15) 0.02748 (10)
Sb5 0.71263 (3) 0.34468 (2) 0.474027 (16) 0.02924 (10)
Sb6 0.64158 (3) 0.18833 (3) 0.337947 (15) 0.02665 (9)
Sb7 0.85396 (3) 0.35016 (2) 0.395167 (16) 0.02880 (10)
Rb1 0.46710 (4) 0.21983 (3) 0.44607 (2) 0.02518 (12)
Rb2 0.95927 (4) 0.22994 (3) 0.53318 (2) 0.02658 (12)
Rb3 0.83514 (4) 0.24754 (3) 0.24583 (2) 0.02490 (12)
O1 0.4008 (3) 0.1621 (3) 0.55500 (16) 0.0305 (9)
O2 0.4390 (3) 0.3207 (3) 0.53895 (16) 0.0319 (10)
O3 0.3847 (3) 0.3825 (3) 0.44145 (17) 0.0322 (10)
O4 0.3449 (3) 0.1260 (3) 0.36889 (17) 0.0309 (9)
O5 0.3690 (3) 0.2854 (3) 0.35223 (17) 0.0333 (10)
O6 0.4027 (3) 0.0608 (3) 0.46431 (17) 0.0312 (10)
O7 0.8969 (3) 0.1597 (3) 0.64160 (16) 0.0297 (9)
O8 1.1401 (3) 0.1445 (3) 0.51457 (16) 0.0285 (9)
O9 1.1337 (3) 0.3047 (3) 0.49512 (18) 0.0335 (10)
O10 0.8821 (3) 0.3195 (3) 0.62418 (16) 0.0335 (10)
O11 0.9924 (3) 0.0684 (2) 0.56761 (16) 0.0282 (9)
O12 1.0241 (3) 0.3883 (3) 0.56777 (17) 0.0342 (10)
O13 1.0195 (3) 0.3198 (3) 0.23963 (17) 0.0330 (10)
O14 0.7086 (3) 0.1838 (2) 0.15877 (16) 0.0280 (9)
O15 0.7067 (3) 0.3442 (2) 0.18593 (16) 0.0290 (9)
O16 1.0121 (3) 0.1585 (3) 0.21902 (18) 0.0346 (10)
O17 0.8777 (3) 0.4112 (3) 0.20401 (16) 0.0305 (9)
O18 0.8425 (3) 0.0911 (2) 0.20396 (18) 0.0315 (10)
N1 0.4990 (5) 0.3665 (4) 0.2515 (2) 0.0469 (16)
H1C 0.5459 0.3338 0.2490 0.070*
H1D 0.4724 0.3721 0.2189 0.070*
H1E 0.4588 0.3474 0.2747 0.070*
N2 0.6607 (5) 0.3774 (4) 0.6247 (2) 0.0504 (16)
H2C 0.6689 0.4289 0.6269 0.076*
H2D 0.6134 0.3636 0.6447 0.076*
H2E 0.6501 0.3640 0.5902 0.076*
N3 1.1030 (5) 0.3669 (6) 0.3577 (3) 0.068 (2)
H3C 1.0855 0.3494 0.3899 0.102*
H3D 1.0795 0.3366 0.3316 0.102*
H3E 1.0834 0.4158 0.3530 0.102*
N4 0.7473 (6) 0.4847 (5) 0.7235 (3) 0.070 (2)
H4C 0.6910 0.4797 0.7099 0.105*
H4D 0.7602 0.5352 0.7278 0.105*
H4E 0.7510 0.4607 0.7556 0.105*
C1 0.3557 (4) 0.0185 (4) 0.4250 (3) 0.0319 (14)
H1A 0.2908 0.0224 0.4308 0.038*
H1B 0.3728 −0.0361 0.4271 0.038*
C2 0.9556 (4) 0.0390 (4) 0.6156 (2) 0.0318 (14)
H2A 1.0001 0.0435 0.6449 0.038*
H2B 0.9410 −0.0158 0.6109 0.038*
C3 0.7783 (4) 0.0619 (4) 0.1680 (2) 0.0294 (13)
H3A 0.7679 0.0070 0.1751 0.035*
H3B 0.7991 0.0674 0.1311 0.035*
C4 1.0808 (4) 0.1947 (4) 0.2498 (3) 0.0343 (14)
H4A 1.1366 0.1647 0.2476 0.041*
H4B 1.0633 0.1972 0.2875 0.041*
C5 0.6926 (4) 0.1067 (4) 0.1752 (3) 0.0292 (13)
H5A 0.6439 0.0839 0.1535 0.035*
H5B 0.6750 0.1056 0.2130 0.035*
C6 0.8218 (4) 0.2046 (4) 0.6591 (2) 0.0332 (14)
H6A 0.7955 0.1808 0.6909 0.040*
H6B 0.7754 0.2066 0.6306 0.040*
C7 0.3157 (5) 0.2378 (4) 0.3193 (2) 0.0374 (16)
H7A 0.3121 0.2596 0.2830 0.045*
H7B 0.2546 0.2352 0.3334 0.045*
C8 1.0744 (4) 0.0331 (4) 0.5527 (3) 0.0300 (14)
H8A 1.0641 −0.0221 0.5464 0.036*
H8B 1.1186 0.0383 0.5821 0.036*
C9 0.8724 (4) 0.0825 (4) 0.6298 (2) 0.0318 (14)
H9A 0.8291 0.0812 0.5997 0.038*
H9B 0.8442 0.0587 0.6610 0.038*
C10 1.2111 (4) 0.2592 (4) 0.4849 (3) 0.0339 (14)
H10A 1.2498 0.2571 0.5172 0.041*
H10B 1.2456 0.2824 0.4559 0.041*
C11 0.7288 (4) 0.4210 (4) 0.1731 (3) 0.0321 (14)
H11A 0.6744 0.4530 0.1733 0.039*
H11B 0.7540 0.4230 0.1370 0.039*
C12 0.3992 (5) 0.4089 (4) 0.3878 (3) 0.0345 (14)
H12A 0.4626 0.4022 0.3784 0.041*
H12B 0.3841 0.4639 0.3847 0.041*
C13 1.0959 (4) 0.2742 (4) 0.2288 (3) 0.0364 (15)
H13A 1.1494 0.2968 0.2462 0.044*
H13B 1.1057 0.2723 0.1900 0.044*
C14 0.4142 (4) 0.2886 (4) 0.5899 (2) 0.0338 (14)
H14A 0.3486 0.2900 0.5935 0.041*
H14B 0.4412 0.3191 0.6192 0.041*
C15 0.4357 (4) 0.4255 (4) 0.4782 (2) 0.0309 (13)
H15A 0.4215 0.4805 0.4745 0.037*
H15B 0.5000 0.4183 0.4716 0.037*
C16 0.8531 (4) 0.2836 (4) 0.6720 (2) 0.0339 (15)
H16A 0.8039 0.3134 0.6876 0.041*
H16B 0.9029 0.2814 0.6983 0.041*
C17 0.3543 (4) 0.1593 (4) 0.3171 (2) 0.0342 (15)
H17A 0.3222 0.1282 0.2900 0.041*
H17B 0.4180 0.1618 0.3076 0.041*
C18 0.3778 (5) 0.0499 (4) 0.3712 (3) 0.0361 (15)
H18A 0.4431 0.0494 0.3662 0.043*
H18B 0.3495 0.0184 0.3429 0.043*
C19 0.3411 (5) 0.3630 (4) 0.3518 (3) 0.0399 (16)
H19A 0.2786 0.3664 0.3635 0.048*
H19B 0.3441 0.3836 0.3152 0.048*
C20 0.9467 (5) 0.4410 (4) 0.2360 (3) 0.0373 (15)
H20A 0.9324 0.4347 0.2740 0.045*
H20B 0.9545 0.4962 0.2287 0.045*
C21 1.0715 (5) 0.4229 (4) 0.5247 (3) 0.0350 (15)
H21A 1.0862 0.4766 0.5336 0.042*
H21B 1.0336 0.4227 0.4920 0.042*
C22 1.1822 (4) 0.1807 (4) 0.4696 (3) 0.0364 (15)
H22A 1.1397 0.1833 0.4392 0.044*
H22B 1.2345 0.1503 0.4587 0.044*
C23 1.1561 (5) 0.3783 (4) 0.5152 (3) 0.0356 (15)
H23A 1.1935 0.4057 0.4893 0.043*
H23B 1.1906 0.3731 0.5489 0.043*
C24 0.4307 (4) 0.0847 (4) 0.5562 (3) 0.0325 (14)
H24A 0.4230 0.0635 0.5924 0.039*
H24B 0.4950 0.0828 0.5480 0.039*
C25 0.6518 (4) 0.3095 (4) 0.1461 (2) 0.0309 (14)
H25A 0.6835 0.3085 0.1119 0.037*
H25B 0.5963 0.3394 0.1411 0.037*
C26 0.6299 (4) 0.2296 (4) 0.1628 (2) 0.0290 (13)
H26A 0.6088 0.2294 0.1999 0.035*
H26B 0.5819 0.2085 0.1396 0.035*
C27 0.3799 (4) 0.0374 (4) 0.5172 (2) 0.0326 (14)
H27A 0.3947 −0.0173 0.5224 0.039*
H27B 0.3151 0.0441 0.5225 0.039*
C28 0.4461 (5) 0.2083 (4) 0.5933 (2) 0.0349 (15)
H28A 0.5110 0.2067 0.5869 0.042*
H28B 0.4356 0.1879 0.6294 0.042*
C29 0.9235 (5) 0.0484 (4) 0.2023 (3) 0.0363 (15)
H29A 0.9462 0.0478 0.1656 0.044*
H29B 0.9127 −0.0050 0.2134 0.044*
C30 1.0316 (4) 0.3978 (4) 0.2233 (3) 0.0359 (15)
H30A 1.0430 0.4002 0.1847 0.043*
H30B 1.0831 0.4207 0.2426 0.043*
C31 0.7950 (4) 0.4512 (4) 0.2124 (3) 0.0329 (14)
H31A 0.8034 0.5069 0.2073 0.039*
H31B 0.7742 0.4423 0.2491 0.039*
C32 0.4138 (5) 0.3982 (4) 0.5338 (3) 0.0335 (14)
H32A 0.4464 0.4296 0.5605 0.040*
H32B 0.3491 0.4038 0.5399 0.040*
C33 0.9898 (5) 0.0847 (4) 0.2385 (3) 0.0371 (15)
H33A 0.9648 0.0893 0.2746 0.045*
H33B 1.0440 0.0526 0.2410 0.045*
C34 0.9447 (5) 0.4290 (4) 0.5816 (3) 0.0415 (17)
H34A 0.8998 0.4242 0.5525 0.050*
H34B 0.9588 0.4840 0.5862 0.050*
C35 1.1112 (4) 0.0688 (4) 0.5032 (3) 0.0344 (15)
H35A 1.1619 0.0381 0.4904 0.041*
H35B 1.0645 0.0698 0.4749 0.041*
C36 0.9074 (5) 0.3980 (4) 0.6319 (3) 0.0436 (17)
H36A 0.9526 0.4016 0.6609 0.052*
H36B 0.8547 0.4284 0.6422 0.052*