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. 2024 Aug 13;9(Pt 8):x240776. doi: 10.1107/S2414314624007764
x y z Uiso*/Ueq
Ni1 0.50342 (3) 0.25347 (2) 0.48264 (2) 0.01306 (8)
Cl1 0.64202 (5) 0.35611 (5) 0.47889 (5) 0.01674 (12)
Cl2 0.36209 (5) 0.14962 (5) 0.48636 (5) 0.01653 (12)
N11 0.3352 (2) 0.36558 (18) 0.58739 (17) 0.0166 (4)
H11A 0.275 (2) 0.378 (2) 0.558 (2) 0.020*
H11B 0.352 (2) 0.431 (2) 0.573 (2) 0.020*
C11 0.2928 (2) 0.31967 (19) 0.71270 (19) 0.0157 (4)
C12 0.2248 (2) 0.2323 (2) 0.75867 (19) 0.0164 (5)
H12 0.205531 0.205855 0.707310 0.020*
O13 0.11618 (18) 0.09999 (16) 0.93113 (14) 0.0279 (4)
C13 0.1853 (2) 0.1843 (2) 0.8798 (2) 0.0195 (5)
C14 0.2155 (2) 0.2202 (2) 0.9554 (2) 0.0222 (5)
H14 0.190108 0.185492 1.038361 0.027*
C15 0.2830 (2) 0.3071 (2) 0.9086 (2) 0.0223 (5)
H15 0.303439 0.332402 0.960012 0.027*
C16 0.3215 (2) 0.3580 (2) 0.7873 (2) 0.0185 (5)
H16 0.366913 0.418434 0.755974 0.022*
C17 0.0651 (3) 0.0796 (2) 0.8560 (2) 0.0306 (6)
H17A 0.006179 0.158736 0.820813 0.037*
H17B 0.014986 0.020045 0.902455 0.037*
H17C 0.139042 0.046029 0.793178 0.037*
N21 0.6746 (2) 0.14469 (17) 0.37458 (16) 0.0158 (4)
H21A 0.664 (2) 0.072 (2) 0.397 (2) 0.019*
H21B 0.741 (2) 0.143 (2) 0.391 (2) 0.019*
C21 0.6950 (2) 0.1932 (2) 0.24955 (18) 0.0162 (5)
O33 1.00929 (15) −0.14771 (14) 0.62401 (13) 0.0208 (4)
C22 0.6279 (2) 0.1668 (2) 0.19530 (19) 0.0170 (5)
H22 0.575639 0.112201 0.239635 0.020*
O23 0.57495 (17) 0.20291 (15) 0.01482 (13) 0.0227 (4)
C23 0.6384 (2) 0.2214 (2) 0.07549 (19) 0.0185 (5)
C24 0.7149 (3) 0.3015 (2) 0.0103 (2) 0.0261 (6)
H24 0.721742 0.338922 −0.071467 0.031*
C25 0.7802 (3) 0.3257 (2) 0.0657 (2) 0.0287 (6)
H25 0.832512 0.380328 0.021309 0.034*
C26 0.7717 (2) 0.2719 (2) 0.1858 (2) 0.0226 (5)
H26 0.817848 0.289221 0.222808 0.027*
C27 0.5077 (3) 0.1107 (2) 0.0754 (2) 0.0247 (5)
H27A 0.569940 0.031131 0.105624 0.030*
H27B 0.473733 0.100612 0.020716 0.030*
H27C 0.433351 0.137241 0.141548 0.030*
N31 0.55035 (19) 0.10066 (17) 0.63226 (16) 0.0147 (4)
H31A 0.475 (2) 0.121 (2) 0.691 (2) 0.018*
H31B 0.551 (2) 0.040 (2) 0.614 (2) 0.018*
C31 0.6663 (2) 0.06435 (19) 0.67155 (18) 0.0146 (4)
C32 0.7799 (2) −0.02535 (19) 0.62731 (18) 0.0152 (4)
H32 0.780233 −0.061587 0.572592 0.018*
C33 0.8928 (2) −0.0614 (2) 0.66390 (19) 0.0165 (5)
C34 0.8918 (2) −0.0100 (2) 0.74531 (19) 0.0200 (5)
H34 0.968644 −0.035787 0.771305 0.024*
C35 0.7780 (2) 0.0787 (2) 0.78804 (19) 0.0205 (5)
H35 0.777267 0.114153 0.843589 0.025*
C36 0.6646 (2) 0.1173 (2) 0.75138 (19) 0.0187 (5)
H36 0.587098 0.179170 0.780764 0.022*
C37 1.0107 (2) −0.2039 (2) 0.5425 (2) 0.0223 (5)
H37A 0.943022 −0.246875 0.579432 0.027*
H37B 1.098606 −0.264165 0.520807 0.027*
H37C 0.991446 −0.139306 0.471444 0.027*
N41 0.4506 (2) 0.41029 (18) 0.33230 (17) 0.0174 (4)
H41A 0.464 (2) 0.465 (2) 0.343 (2) 0.021*
H41B 0.509 (2) 0.388 (2) 0.273 (2) 0.021*
C41 0.3218 (2) 0.4570 (2) 0.31188 (19) 0.0158 (5)
C42 0.2933 (2) 0.4009 (2) 0.25224 (18) 0.0166 (5)
H42 0.360547 0.334924 0.219965 0.020*
O43 0.14760 (16) 0.38059 (15) 0.17817 (14) 0.0234 (4)
C43 0.1662 (2) 0.4410 (2) 0.23955 (19) 0.0175 (5)
C44 0.0670 (2) 0.5362 (2) 0.2874 (2) 0.0232 (5)
H44 −0.020672 0.562393 0.280350 0.028*
C45 0.0980 (3) 0.5922 (2) 0.3455 (2) 0.0285 (6)
H45 0.030717 0.658162 0.377741 0.034*
C46 0.2242 (2) 0.5547 (2) 0.3578 (2) 0.0221 (5)
H46 0.244053 0.595015 0.397112 0.027*
C47 0.0172 (2) 0.4192 (2) 0.1650 (2) 0.0251 (5)
H47A −0.046398 0.405454 0.243101 0.030*
H47B 0.016330 0.370547 0.118882 0.030*
H47C −0.007743 0.507929 0.123847 0.030*