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. 2019 Apr 2;75(Pt 5):547–551. doi: 10.1107/S2056989019004055
x y z Uiso*/Ueq Occ. (<1)
Cu1 0.18398 (4) 0.35492 (5) 0.56226 (2) 0.02658 (12)
Cl2 0.61349 (10) 0.81015 (12) 0.66768 (4) 0.0394 (2)
Cl1 0.20109 (10) 0.10125 (11) 0.52765 (4) 0.0442 (3)
N21 0.2633 (3) 0.4598 (3) 0.50530 (11) 0.0276 (6)
N1 0.1935 (3) 0.6031 (3) 0.58904 (10) 0.0237 (6)
N31 0.0181 (3) 0.3032 (4) 0.59528 (11) 0.0298 (6)
N23 0.3807 (3) 0.6599 (4) 0.47829 (11) 0.0293 (6)
N11 0.3159 (3) 0.3367 (4) 0.63224 (12) 0.0324 (7)
N33 −0.1361 (3) 0.2601 (4) 0.64552 (11) 0.0332 (7)
N13 0.3635 (3) 0.4347 (4) 0.70991 (11) 0.0362 (7)
N4 0.0918 (3) 0.6184 (4) 0.66510 (11) 0.0331 (7)
C12 0.2988 (3) 0.4602 (4) 0.66327 (13) 0.0283 (7)
C26 0.2978 (3) 0.4181 (5) 0.45779 (13) 0.0319 (8)
H26 0.275354 0.321232 0.440245 0.038*
C22 0.3146 (3) 0.6059 (4) 0.51634 (12) 0.0241 (7)
C5 0.2183 (3) 0.6065 (4) 0.64627 (12) 0.0267 (7)
H5 0.268323 0.705847 0.656460 0.032*
C32 −0.0283 (3) 0.3493 (5) 0.63838 (13) 0.0307 (8)
C6 0.3044 (3) 0.6840 (4) 0.56629 (13) 0.0286 (8)
H6A 0.287929 0.800888 0.561970 0.034*
H6B 0.385168 0.669535 0.588489 0.034*
C36 −0.0650 (3) 0.1818 (4) 0.57440 (15) 0.0336 (8)
H36 −0.057209 0.127441 0.543794 0.040*
C25 0.3696 (4) 0.5416 (5) 0.44102 (14) 0.0341 (8)
H25 0.405045 0.545645 0.409984 0.041*
C35 −0.1586 (3) 0.1546 (5) 0.60512 (15) 0.0388 (9)
H35 −0.226056 0.078382 0.599912 0.047*
C7 0.0270 (4) 0.4682 (5) 0.67877 (14) 0.0388 (9)
H7A −0.044043 0.500341 0.698061 0.047*
H7B 0.089098 0.407663 0.702043 0.047*
C2 0.0650 (3) 0.6893 (4) 0.57597 (14) 0.0328 (8)
H2A 0.003612 0.619174 0.555523 0.039*
H2B 0.076571 0.790207 0.557356 0.039*
C24 0.4503 (4) 0.8151 (5) 0.47750 (16) 0.0414 (10)
H24A 0.390577 0.904225 0.480668 0.062*
H24B 0.488065 0.825186 0.445837 0.062*
H24C 0.518329 0.818347 0.505466 0.062*
C16 0.3943 (4) 0.2272 (5) 0.66066 (16) 0.0407 (9)
H16 0.422015 0.126906 0.648747 0.049*
C3 0.0176 (4) 0.7253 (5) 0.62797 (15) 0.0437 (10)
H3A 0.032731 0.839800 0.637102 0.052*
H3B −0.075173 0.702826 0.626991 0.052*
C15 0.4254 (4) 0.2850 (5) 0.70806 (16) 0.0458 (10)
H15 0.478094 0.234306 0.734412 0.055*
C34 −0.2202 (4) 0.2733 (6) 0.68726 (17) 0.0541 (12)
H34A −0.169792 0.249093 0.719228 0.081*
H34B −0.291094 0.196567 0.681554 0.081*
H34C −0.254383 0.382966 0.688193 0.081*
C14 0.3707 (5) 0.5456 (6) 0.75403 (16) 0.0577 (12)
H14A 0.380595 0.656728 0.742796 0.087*
H14B 0.444214 0.516161 0.777864 0.087*
H14C 0.291865 0.536478 0.770330 0.087*
O1 0.5896 (4) 0.8829 (4) 0.61817 (11) 0.0659 (10)
O2 0.551 (2) 0.904 (3) 0.7022 (7) 0.089 (6) 0.5
O3 0.5625 (15) 0.6503 (12) 0.6636 (6) 0.074 (4) 0.5
O4 0.7476 (8) 0.803 (3) 0.6829 (7) 0.093 (6) 0.5
O4' 0.7405 (11) 0.851 (3) 0.6894 (7) 0.109 (7) 0.5
O3' 0.604 (2) 0.6372 (13) 0.6674 (8) 0.124 (8) 0.5
O2' 0.526 (2) 0.870 (3) 0.7006 (9) 0.094 (7) 0.5