x	y	z	Uiso*/Ueq
Fe1	0.88176 (4)	0.56744 (7)	0.10748 (3)	0.03294 (17)
Br1	1.31762 (4)	−0.46355 (6)	0.38737 (3)	0.06095 (19)
N1	0.8559 (2)	0.4500 (4)	0.27746 (15)	0.0335 (7)
N2	0.8621 (3)	0.5510 (4)	0.38201 (16)	0.0441 (9)
H2A	0.8136	0.6301	0.3678	0.053*
H2B	0.8871	0.5466	0.4228	0.053*
N3	1.0484 (3)	0.3011 (5)	0.48388 (19)	0.0596 (11)
C1	0.8991 (3)	0.4337 (5)	0.34017 (18)	0.0319 (9)
C2	0.9785 (3)	0.3014 (5)	0.36174 (18)	0.0302 (8)
C3	1.0146 (3)	0.1847 (5)	0.31590 (18)	0.0302 (9)
C4	0.9720 (3)	0.2070 (5)	0.25112 (18)	0.0313 (9)
H4	0.9956	0.1339	0.2193	0.038*
C5	0.8928 (3)	0.3408 (5)	0.23362 (17)	0.0274 (8)
C6	0.8419 (3)	0.3651 (5)	0.16587 (17)	0.0295 (8)
C7	0.7494 (3)	0.4767 (5)	0.14559 (18)	0.0328 (9)
H7	0.7103	0.5424	0.1731	0.039*
C8	0.7267 (3)	0.4714 (5)	0.0769 (2)	0.0404 (10)
H8	0.6696	0.5310	0.0514	0.048*
C9	0.8063 (3)	0.3594 (5)	0.05372 (19)	0.0384 (9)
H9	0.8107	0.3334	0.0102	0.046*
C10	0.8781 (3)	0.2935 (5)	0.10802 (18)	0.0343 (9)
H10	0.9379	0.2175	0.1064	0.041*
C11	1.0377 (4)	0.6526 (6)	0.1005 (2)	0.0542 (12)
H11	1.0979	0.5798	0.0960	0.065*
C12	1.0040 (4)	0.7097 (6)	0.1601 (3)	0.0596 (13)
H12	1.0381	0.6819	0.2018	0.072*
C13	0.9095 (4)	0.8163 (6)	0.1444 (3)	0.0597 (13)
H13	0.8697	0.8711	0.1741	0.072*
C14	0.8852 (4)	0.8261 (6)	0.0762 (3)	0.0586 (13)
H14	0.8269	0.8885	0.0530	0.070*
C15	0.9639 (4)	0.7257 (6)	0.0495 (2)	0.0533 (12)
H15	0.9671	0.7098	0.0053	0.064*
C16	1.0201 (3)	0.2954 (5)	0.4291 (2)	0.0395 (10)
C17	1.0911 (3)	0.0326 (5)	0.33629 (17)	0.0306 (8)
C18	1.1829 (3)	0.0036 (5)	0.3047 (2)	0.0439 (10)
H18	1.1986	0.0831	0.2725	0.053*
C19	1.2509 (3)	−0.1418 (6)	0.3206 (2)	0.0461 (11)
H19	1.3125	−0.1601	0.2996	0.055*
C20	1.2267 (3)	−0.2594 (5)	0.3678 (2)	0.0389 (10)
C21	1.1376 (3)	−0.2323 (5)	0.3997 (2)	0.0484 (11)
H21	1.1226	−0.3120	0.4320	0.058*
C22	1.0702 (3)	−0.0868 (5)	0.3841 (2)	0.0455 (11)
H22	1.0097	−0.0686	0.4060	0.055*