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. 2021 Oct 19;77(Pt 11):1120–1125. doi: 10.1107/S2056989021010422
x y z Uiso*/Ueq
Co1 0.77328 (2) 0.36737 (2) 0.79003 (2) 0.01802 (8)
N1 0.89733 (9) 0.40269 (14) 0.84966 (9) 0.0228 (3)
C1 0.97734 (11) 0.42519 (15) 0.87028 (9) 0.0203 (3)
S1 1.08865 (3) 0.45439 (4) 0.89675 (3) 0.02797 (10)
N2 0.72639 (9) 0.17383 (14) 0.78687 (9) 0.0249 (3)
C2 0.69467 (10) 0.06052 (16) 0.79023 (10) 0.0225 (3)
S2 0.64780 (3) −0.09564 (4) 0.79675 (3) 0.02997 (10)
N11 0.67807 (8) 0.48667 (13) 0.85774 (8) 0.0203 (2)
C11 0.69896 (10) 0.53200 (16) 0.94415 (10) 0.0213 (3)
H11 0.759338 0.506648 0.970392 0.026*
C12 0.63811 (11) 0.61250 (16) 0.99628 (10) 0.0218 (3)
H12 0.656100 0.639410 1.057333 0.026*
C13 0.54861 (10) 0.65531 (15) 0.95897 (10) 0.0199 (3)
C14 0.52571 (10) 0.60389 (16) 0.86934 (10) 0.0222 (3)
H14 0.465517 0.625731 0.841373 0.027*
C15 0.59106 (10) 0.52243 (16) 0.82332 (10) 0.0213 (3)
H15 0.573977 0.489080 0.763427 0.026*
N12 0.48862 (9) 0.74021 (14) 1.00607 (9) 0.0241 (3)
C16 0.51936 (12) 0.80309 (19) 1.09350 (12) 0.0303 (3)
H16A 0.577275 0.859533 1.083572 0.045*
H16B 0.533416 0.728603 1.138480 0.045*
H16C 0.468041 0.863388 1.117198 0.045*
C17 0.40047 (11) 0.79162 (19) 0.96272 (12) 0.0309 (3)
H17A 0.360713 0.711636 0.943368 0.046*
H17B 0.416451 0.848679 0.908512 0.046*
H17C 0.364953 0.849121 1.007120 0.046*
N21 0.78919 (8) 0.42769 (13) 0.65835 (8) 0.0189 (2)
C21 0.82983 (10) 0.33442 (16) 0.59926 (10) 0.0196 (3)
H21 0.834119 0.238949 0.618167 0.024*
C22 0.86504 (11) 0.36954 (15) 0.51404 (10) 0.0209 (3)
H22 0.891632 0.299061 0.475335 0.025*
C23 0.86172 (10) 0.51100 (16) 0.48379 (9) 0.0200 (3)
C24 0.81437 (11) 0.60652 (16) 0.54359 (11) 0.0227 (3)
H24 0.805027 0.701424 0.525107 0.027*
C25 0.78214 (10) 0.56180 (15) 0.62799 (10) 0.0211 (3)
H25 0.753116 0.629049 0.667518 0.025*
N22 0.90343 (9) 0.55389 (14) 0.40487 (8) 0.0231 (3)
C26 0.95644 (11) 0.45537 (17) 0.34714 (10) 0.0248 (3)
H26A 0.911620 0.406459 0.305536 0.037*
H26B 0.989513 0.386597 0.386600 0.037*
H26C 1.003783 0.506881 0.310500 0.037*
C27 0.89616 (12) 0.69988 (18) 0.37410 (11) 0.0290 (3)
H27A 0.927850 0.761294 0.419469 0.043*
H27B 0.828308 0.726211 0.368232 0.043*
H27C 0.927463 0.710043 0.313971 0.043*