x	y	z	Uiso*/Ueq
Fe	1.0000	0.0000	0.5000	0.01108 (9)
C23	1.02702 (17)	0.01547 (10)	0.36771 (14)	0.0145 (4)
N3	1.05491 (15)	0.03942 (9)	0.29849 (12)	0.0170 (3)
C24	1.10111 (19)	0.08937 (11)	0.23145 (15)	0.0198 (4)
C25	1.0239 (2)	0.16655 (11)	0.21248 (19)	0.0276 (5)
H25A	1.0520	0.2019	0.1677	0.041*
H25B	1.0418	0.1917	0.2832	0.041*
H25C	0.9281	0.1558	0.1744	0.041*
C26	1.2495 (2)	0.10337 (15)	0.29680 (19)	0.0349 (5)
H26A	1.2841	0.1367	0.2543	0.052*
H26B	1.2966	0.0526	0.3123	0.052*
H26C	1.2636	0.1298	0.3660	0.052*
C27	1.0745 (2)	0.04753 (13)	0.12358 (17)	0.0312 (5)
H27A	1.1054	0.0808	0.0785	0.047*
H27B	0.9786	0.0378	0.0845	0.047*
H27C	1.1226	−0.0029	0.1384	0.047*
N1	0.82346 (14)	0.05565 (8)	0.43209 (11)	0.0123 (3)
N2	1.09274 (14)	0.10501 (8)	0.53887 (11)	0.0123 (3)
C1	0.69880 (17)	0.02084 (10)	0.38631 (14)	0.0137 (3)
C2	0.59681 (18)	0.08046 (10)	0.34686 (14)	0.0164 (4)
H2	0.5034	0.0716	0.3103	0.020*
C3	0.65836 (18)	0.15122 (11)	0.37137 (15)	0.0175 (4)
H3	0.6166	0.2016	0.3566	0.021*
C4	0.79981 (17)	0.13574 (10)	0.42436 (14)	0.0137 (3)
C5	0.89792 (17)	0.19464 (10)	0.46487 (14)	0.0138 (3)
C6	1.03494 (17)	0.17860 (10)	0.51399 (14)	0.0138 (3)
C7	1.13680 (18)	0.23832 (10)	0.53796 (15)	0.0176 (4)
H7	1.1230	0.2937	0.5281	0.021*
C8	1.25547 (18)	0.20053 (10)	0.57700 (15)	0.0177 (4)
H8	1.3410	0.2243	0.5995	0.021*
C9	1.22812 (17)	0.11779 (10)	0.57818 (14)	0.0142 (3)
C10	0.67285 (17)	−0.05975 (10)	0.38344 (14)	0.0137 (3)
C11	0.85653 (17)	0.27954 (10)	0.45362 (14)	0.0152 (4)
C12	0.78007 (18)	0.31308 (10)	0.35164 (15)	0.0172 (4)
H12	0.7471	0.2803	0.2884	0.021*
C13	0.75130 (18)	0.39353 (11)	0.34085 (15)	0.0188 (4)
H13	0.6975	0.4156	0.2714	0.023*
C14	0.80245 (18)	0.44073 (10)	0.43308 (16)	0.0190 (4)
C15	0.87414 (19)	0.40905 (11)	0.53618 (16)	0.0217 (4)
H15	0.9057	0.4420	0.5992	0.026*
C16	0.89919 (19)	0.32841 (11)	0.54595 (15)	0.0196 (4)
H16	0.9461	0.3060	0.6166	0.024*
C17	0.52953 (17)	−0.08653 (10)	0.33800 (14)	0.0148 (4)
C18	0.46030 (18)	−0.10376 (12)	0.22725 (15)	0.0219 (4)
H18	0.5034	−0.0973	0.1788	0.026*
C19	0.32887 (19)	−0.13036 (12)	0.18617 (16)	0.0236 (4)
H19	0.2825	−0.1420	0.1104	0.028*
C20	0.26692 (18)	−0.13963 (11)	0.25659 (17)	0.0209 (4)
C21	0.3315 (2)	−0.12213 (14)	0.36586 (17)	0.0299 (5)
H21	0.2873	−0.1280	0.4136	0.036*
C22	0.4631 (2)	−0.09559 (13)	0.40590 (16)	0.0270 (5)
H22	0.5083	−0.0834	0.4816	0.032*
Cl2	0.10157 (5)	−0.17304 (3)	0.20542 (5)	0.03464 (14)
Cl1	0.78308 (5)	0.54293 (3)	0.41772 (5)	0.03197 (14)