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. 2021 Feb 2;77(Pt 3):217–221. doi: 10.1107/S2056989021000955
x y z Uiso*/Ueq
Ir1 0.68717 (2) 0.18203 (2) 0.91417 (2) 0.02951 (4)
Cl1 0.53215 (5) 0.24293 (5) 0.92683 (4) 0.04323 (17)
P1 0.76225 (5) 0.28142 (5) 1.01468 (4) 0.03235 (16)
P2 0.76117 (6) 0.48320 (5) 1.05116 (4) 0.03587 (17)
N1 0.71230 (16) 0.27466 (14) 0.83889 (12) 0.0322 (5)
N2 0.66418 (17) 0.07508 (14) 0.97668 (13) 0.0345 (5)
C1 0.6505 (2) 0.33752 (19) 0.80720 (17) 0.0414 (7)
H1 0.5898 0.3378 0.8167 0.050*
C2 0.6752 (3) 0.4012 (2) 0.76128 (18) 0.0492 (8)
H2 0.6313 0.4433 0.7395 0.059*
C3 0.7646 (3) 0.4020 (2) 0.74807 (19) 0.0528 (9)
H3 0.7830 0.4458 0.7187 0.063*
C4 0.8269 (3) 0.3377 (2) 0.77858 (18) 0.0466 (8)
H4 0.8880 0.3380 0.7700 0.056*
C5 0.7996 (2) 0.27145 (18) 0.82245 (15) 0.0353 (6)
C6 0.8552 (2) 0.19571 (18) 0.85264 (17) 0.0374 (7)
C7 0.9445 (2) 0.1771 (2) 0.8388 (2) 0.0494 (8)
H7 0.9729 0.2159 0.8111 0.059*
C8 0.9905 (3) 0.1019 (2) 0.8659 (2) 0.0575 (9)
H8 1.0506 0.0901 0.8577 0.069*
C9 0.9467 (3) 0.0438 (2) 0.9055 (2) 0.0556 (9)
H9 0.9766 −0.0082 0.9224 0.067*
C10 0.8589 (2) 0.0618 (2) 0.92042 (18) 0.0449 (7)
H10 0.8312 0.0217 0.9474 0.054*
C11 0.8109 (2) 0.13846 (18) 0.89610 (15) 0.0338 (6)
C12 0.7031 (2) 0.06046 (19) 1.05128 (17) 0.0469 (8)
H12 0.7442 0.1017 1.0785 0.056*
C13 0.6849 (3) −0.0130 (2) 1.0891 (2) 0.0598 (10)
H13 0.7127 −0.0209 1.1409 0.072*
C14 0.6251 (3) −0.0741 (2) 1.0492 (2) 0.0656 (11)
H14 0.6112 −0.1240 1.0736 0.079*
C15 0.5859 (3) −0.0609 (2) 0.9727 (2) 0.0543 (9)
H15 0.5446 −0.1019 0.9453 0.065*
C16 0.6071 (2) 0.01343 (18) 0.93549 (17) 0.0373 (6)
C17 0.5754 (2) 0.03060 (18) 0.85349 (16) 0.0366 (6)
C18 0.5151 (2) −0.0240 (2) 0.80214 (19) 0.0457 (7)
H18 0.4890 −0.0725 0.8203 0.055*
C19 0.4945 (2) −0.0059 (2) 0.72503 (19) 0.0520 (8)
H19 0.4546 −0.0424 0.6907 0.062*
C20 0.5328 (2) 0.0662 (2) 0.69845 (18) 0.0488 (8)
H20 0.5194 0.0778 0.6460 0.059*
C21 0.5910 (2) 0.1216 (2) 0.74885 (16) 0.0409 (7)
H21 0.6159 0.1701 0.7296 0.049*
C22 0.61342 (19) 0.10635 (17) 0.82804 (15) 0.0324 (6)
C23 0.8897 (2) 0.2899 (2) 1.02168 (16) 0.0381 (7)
C24 0.9480 (2) 0.2230 (2) 1.0551 (2) 0.0531 (8)
H24 0.9226 0.1784 1.0793 0.064*
C25 1.0427 (3) 0.2207 (3) 1.0535 (2) 0.0675 (11)
H25 1.0807 0.1751 1.0767 0.081*
C26 1.0814 (3) 0.2856 (3) 1.0178 (3) 0.0708 (12)
H26 1.1452 0.2839 1.0160 0.085*
C27 1.0251 (3) 0.3526 (3) 0.9848 (2) 0.0621 (10)
H27 1.0513 0.3969 0.9610 0.074*
C28 0.9301 (2) 0.3557 (2) 0.98620 (18) 0.0460 (7)
H28 0.8929 0.4019 0.9634 0.055*
C29 0.7500 (2) 0.27335 (18) 1.11445 (16) 0.0388 (7)
C30 0.6630 (3) 0.2510 (2) 1.12801 (19) 0.0529 (8)
H30 0.6141 0.2342 1.0872 0.063*
C31 0.6477 (3) 0.2534 (3) 1.2018 (2) 0.0694 (11)
H31 0.5884 0.2392 1.2104 0.083*
C32 0.7209 (4) 0.2769 (3) 1.2625 (2) 0.0792 (13)
H32 0.7108 0.2784 1.3121 0.095*
C33 0.8081 (4) 0.2980 (3) 1.2500 (2) 0.0743 (13)
H33 0.8572 0.3133 1.2912 0.089*
C34 0.8234 (3) 0.2965 (2) 1.17625 (19) 0.0551 (9)
H34 0.8827 0.3110 1.1679 0.066*
C35 0.7142 (2) 0.38963 (17) 0.98911 (16) 0.0381 (7)
H35A 0.6463 0.3870 0.9857 0.046*
H35B 0.7227 0.4023 0.9379 0.046*
C36 0.6829 (2) 0.49398 (19) 1.11822 (17) 0.0395 (7)
C37 0.5910 (3) 0.4657 (2) 1.1068 (2) 0.0625 (10)
H37 0.5653 0.4332 1.0632 0.075*
C38 0.5354 (3) 0.4842 (3) 1.1587 (3) 0.0831 (14)
H38 0.4734 0.4636 1.1504 0.100*
C39 0.5727 (3) 0.5334 (3) 1.2227 (2) 0.0721 (12)
H39 0.5361 0.5458 1.2580 0.086*
C40 0.6627 (3) 0.5638 (3) 1.2342 (2) 0.0699 (12)
H40 0.6869 0.5988 1.2764 0.084*
C41 0.7188 (3) 0.5429 (2) 1.18332 (19) 0.0565 (9)
H41 0.7815 0.5619 1.1930 0.068*
C42 0.7121 (2) 0.56941 (18) 0.98220 (17) 0.0383 (7)
C43 0.6538 (3) 0.6345 (2) 0.9985 (2) 0.0520 (8)
H43 0.6357 0.6344 1.0453 0.062*
C44 0.6223 (3) 0.6995 (2) 0.9458 (2) 0.0659 (11)
H44 0.5827 0.7424 0.9574 0.079*
C45 0.6479 (3) 0.7019 (3) 0.8779 (2) 0.0673 (11)
H45 0.6269 0.7467 0.8434 0.081*
C46 0.7056 (3) 0.6376 (3) 0.8596 (2) 0.0594 (10)
H46 0.7224 0.6381 0.8123 0.071*
C47 0.7380 (2) 0.5729 (2) 0.91164 (18) 0.0468 (8)
H47 0.7780 0.5306 0.8996 0.056*