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. 2021 Oct 19;77(Pt 11):1116–1119. doi: 10.1107/S2056989021010537
x y z Uiso*/Ueq
Ni1 0.66455 (4) 0.50226 (6) 0.35327 (3) 0.01526 (11)
Ni2 0.41917 (4) 0.48960 (6) 0.15985 (3) 0.01813 (12)
Cl2 0.61155 (8) 0.45928 (14) 0.19208 (7) 0.0259 (2)
Cl3 0.48342 (7) 0.60270 (12) 0.30567 (7) 0.0212 (2)
Cl1 0.74487 (8) 0.75170 (12) 0.37010 (7) 0.0249 (2)
Cl4 0.38501 (9) 0.25191 (13) 0.21270 (9) 0.0336 (3)
O1 0.7388 (3) 0.6301 (4) 0.5389 (2) 0.0244 (7)
H1 0.740 (5) 0.705 (7) 0.507 (4) 0.037*
N1 0.8111 (3) 0.3926 (4) 0.3786 (2) 0.0182 (7)
N3 0.6939 (2) 0.5043 (5) 0.4853 (2) 0.0183 (6)
N2 0.6216 (3) 0.2811 (4) 0.3745 (2) 0.0183 (7)
H2 0.563 (4) 0.289 (6) 0.339 (3) 0.022*
O2 0.1908 (3) 0.4533 (5) 0.1497 (2) 0.0339 (9)
H2A 0.226 (6) 0.389 (9) 0.176 (5) 0.051*
C8 0.6846 (3) 0.3877 (5) 0.5258 (3) 0.0203 (8)
C5 0.8008 (3) 0.2431 (5) 0.3699 (3) 0.0202 (8)
N6 0.2619 (3) 0.5471 (4) 0.1318 (2) 0.0212 (8)
N5 0.4081 (3) 0.6943 (5) 0.0936 (3) 0.0394 (12)
H5 0.468 (5) 0.736 (8) 0.140 (4) 0.047*
C12 0.7001 (3) 0.1123 (6) 0.5107 (3) 0.0250 (9)
H12A 0.660298 0.022653 0.478112 0.030*
H12B 0.770464 0.117488 0.504159 0.030*
C14 0.9033 (3) 0.2356 (6) 0.6758 (3) 0.0257 (9)
C3 0.9925 (4) 0.2136 (6) 0.4131 (3) 0.0301 (11)
H3 1.054899 0.151943 0.425362 0.036*
C9 0.7192 (4) 0.3765 (6) 0.6253 (3) 0.0279 (10)
H9A 0.653362 0.378843 0.638523 0.034*
H9B 0.764996 0.464264 0.654444 0.034*
C1 0.9109 (3) 0.4531 (5) 0.4044 (3) 0.0220 (9)
H1A 0.918464 0.558677 0.410777 0.026*
C30 0.0369 (4) 0.6416 (7) −0.1114 (4) 0.0357 (12)
N4 0.3669 (3) 0.4143 (6) 0.0282 (3) 0.0361 (11)
C2 1.0041 (3) 0.3660 (6) 0.4222 (3) 0.0277 (10)
H2B 1.074096 0.411370 0.440161 0.033*
C25 0.1029 (4) 0.7072 (7) 0.0546 (4) 0.0384 (13)
H25A 0.095090 0.786671 0.093629 0.046*
H25B 0.059972 0.619493 0.058673 0.046*
C7 0.6314 (3) 0.2540 (5) 0.4678 (3) 0.0206 (8)
C4 0.8897 (4) 0.1499 (6) 0.3860 (3) 0.0278 (10)
H4 0.880183 0.044699 0.378533 0.033*
C24 0.2208 (4) 0.6641 (5) 0.0869 (3) 0.0258 (10)
C6 0.6855 (3) 0.1848 (5) 0.3402 (3) 0.0218 (8)
H6A 0.649955 0.182503 0.274260 0.026*
H6B 0.687313 0.081400 0.362311 0.026*
C10 0.7844 (4) 0.2319 (6) 0.6644 (3) 0.0281 (10)
H10 0.785669 0.219265 0.725250 0.034*
C23 0.2999 (4) 0.7724 (5) 0.0732 (4) 0.0365 (12)
C15 0.9419 (4) 0.3220 (6) 0.6296 (3) 0.0301 (10)
H15A 1.016603 0.314817 0.638711 0.036*
H15B 0.894916 0.391186 0.587469 0.036*
C31 0.0663 (3) 0.5006 (7) −0.0931 (3) 0.0322 (10)
H31A 0.053020 0.430999 −0.140077 0.039*
H31B 0.100801 0.468485 −0.032826 0.039*
C13 0.5139 (3) 0.2394 (7) 0.4628 (3) 0.0314 (11)
H13A 0.471161 0.327732 0.433110 0.047*
H13B 0.516636 0.231714 0.523147 0.047*
H13C 0.479378 0.149469 0.428806 0.047*
C11 0.7236 (4) 0.0951 (6) 0.6094 (3) 0.0306 (11)
H11A 0.768517 0.004325 0.633040 0.037*
H11B 0.653697 0.081821 0.615749 0.037*
C16 0.9776 (4) 0.1259 (6) 0.7427 (3) 0.0313 (11)
H16A 0.980940 0.149758 0.802043 0.047*
H16B 1.051172 0.132186 0.743621 0.047*
H16C 0.948965 0.024270 0.726130 0.047*
C18 0.2741 (6) 0.2441 (10) −0.0937 (4) 0.0582 (18)
H18 0.234602 0.153747 −0.115022 0.070*
C17 0.3151 (5) 0.2832 (8) −0.0055 (4) 0.0493 (16)
H17 0.306660 0.213712 0.035033 0.059*
C26 0.0565 (4) 0.7638 (7) −0.0421 (4) 0.0423 (14)
H26 −0.016160 0.810447 −0.054167 0.051*
C21 0.3804 (4) 0.5139 (10) −0.0254 (4) 0.0504 (17)
C28 0.2479 (5) 0.8323 (7) −0.0237 (4) 0.0486 (16)
H28A 0.293285 0.915184 −0.030027 0.058*
H28B 0.247256 0.751483 −0.065083 0.058*
C32 −0.0176 (7) 0.6926 (9) −0.2067 (4) 0.068 (2)
H32A 0.032890 0.756035 −0.220891 0.101*
H32B −0.083660 0.749858 −0.215141 0.101*
H32C −0.037751 0.605256 −0.246168 0.101*
C22 0.4373 (5) 0.6511 (10) 0.0162 (4) 0.064 (2)
H22A 0.416191 0.732765 −0.028357 0.077*
H22B 0.517365 0.635850 0.038173 0.077*
C27 0.1312 (6) 0.8883 (7) −0.0493 (4) 0.0552 (18)
H27A 0.101814 0.926492 −0.111198 0.066*
H27B 0.132010 0.972060 −0.009604 0.066*
C29 0.3272 (7) 0.8968 (8) 0.1403 (5) 0.068 (2)
H29A 0.368891 0.856492 0.200143 0.102*
H29B 0.259425 0.942465 0.137844 0.102*
H29C 0.371164 0.972534 0.126705 0.102*
C19 0.2927 (7) 0.3391 (10) −0.1474 (5) 0.069 (2)
H19 0.270015 0.312455 −0.208304 0.082*
C20 0.3427 (6) 0.4734 (12) −0.1196 (4) 0.070 (2)
H20 0.353114 0.539853 −0.160608 0.084*