x	y	z	Uiso*/Ueq
Fe1	0.44212 (3)	0.29727 (4)	0.49025 (3)	0.01969 (13)
O1	0.34098 (16)	0.1785 (2)	0.37047 (13)	0.0247 (6)
N1	0.5466 (2)	0.2208 (3)	0.38217 (18)	0.0258 (7)
N2	0.5401 (2)	0.2204 (3)	0.60128 (19)	0.0278 (7)
N3	0.51844 (17)	0.5183 (2)	0.48677 (19)	0.0255 (6)
C1	0.5072 (2)	0.2484 (3)	0.4249 (2)	0.0259 (9)
C2	0.5031 (2)	0.2504 (3)	0.55733 (19)	0.0241 (8)
C3	0.4886 (2)	0.4325 (3)	0.4898 (2)	0.0240 (7)
C4	0.3418 (2)	0.2250 (3)	0.4232 (2)	0.0219 (8)
C5	0.35340 (18)	0.1724 (2)	0.4859 (2)	0.0210 (6)
C6	0.3355 (2)	0.2502 (3)	0.53539 (19)	0.0199 (7)
C7	0.3282 (2)	0.3565 (3)	0.50543 (18)	0.0208 (7)
C8	0.3381 (2)	0.3442 (3)	0.43788 (18)	0.0211 (7)
C9	0.3600 (2)	0.0516 (2)	0.4933 (2)	0.0233 (7)
C10	0.4154 (2)	−0.0087 (3)	0.4587 (2)	0.0270 (8)
H10	0.451113	0.028206	0.430856	0.032*
C11	0.4194 (3)	−0.1221 (3)	0.4642 (2)	0.0337 (9)
H11	0.457570	−0.161958	0.439927	0.040*
C12	0.3681 (3)	−0.1774 (3)	0.5049 (2)	0.0356 (10)
H12	0.371492	−0.254748	0.509268	0.043*
C13	0.3116 (3)	−0.1186 (3)	0.5392 (2)	0.0334 (9)
H13	0.275669	−0.155950	0.566711	0.040*
C14	0.3076 (3)	−0.0055 (3)	0.5335 (2)	0.0297 (8)
H14	0.268673	0.033951	0.557136	0.036*
C15	0.3175 (2)	0.2258 (3)	0.6031 (2)	0.0224 (7)
C16	0.3635 (2)	0.1555 (3)	0.64050 (19)	0.0250 (8)
H16	0.410074	0.122967	0.622858	0.030*
C17	0.3424 (2)	0.1321 (3)	0.7032 (2)	0.0289 (8)
H17	0.375556	0.086079	0.728307	0.035*
C18	0.2733 (2)	0.1755 (3)	0.7291 (2)	0.0286 (8)
H18	0.258942	0.159492	0.771960	0.034*
C19	0.2253 (2)	0.2427 (3)	0.6918 (2)	0.0284 (8)
H19	0.176829	0.270689	0.708802	0.034*
C20	0.2475 (2)	0.2692 (3)	0.62986 (19)	0.0241 (8)
H20	0.214970	0.317101	0.605363	0.029*
C21	0.3020 (2)	0.4560 (3)	0.54132 (19)	0.0229 (7)
C22	0.3432 (2)	0.4931 (3)	0.59502 (19)	0.0263 (8)
H22	0.392299	0.459712	0.606579	0.032*
C23	0.3130 (3)	0.5785 (3)	0.6317 (2)	0.0296 (8)
H23	0.341359	0.602888	0.668332	0.036*
C24	0.2411 (3)	0.6282 (3)	0.6147 (2)	0.0323 (9)
H24	0.219540	0.685330	0.640286	0.039*
C25	0.2011 (2)	0.5939 (3)	0.5604 (2)	0.0314 (9)
H25	0.153037	0.629211	0.547934	0.038*
C26	0.2311 (2)	0.5081 (3)	0.5241 (2)	0.0269 (8)
H26	0.203041	0.484711	0.487102	0.032*
C27	0.3286 (2)	0.4318 (3)	0.38982 (19)	0.0241 (8)
C28	0.3420 (2)	0.5434 (3)	0.4046 (2)	0.0281 (8)
H28	0.363307	0.562470	0.445112	0.034*
C29	0.3246 (3)	0.6253 (3)	0.3611 (2)	0.0308 (9)
H29	0.332359	0.699903	0.372456	0.037*
C30	0.2959 (3)	0.5993 (3)	0.3011 (2)	0.0381 (10)
H30	0.283663	0.655662	0.271401	0.046*
C31	0.2851 (3)	0.4899 (3)	0.2846 (2)	0.0352 (9)
H31	0.266627	0.471371	0.243156	0.042*
C32	0.3011 (2)	0.4076 (3)	0.3285 (2)	0.0272 (8)
H32	0.293296	0.333263	0.316540	0.033*
C33	0.5933 (2)	0.1901 (3)	0.33020 (19)	0.0245 (8)
C34	0.5665 (2)	0.2148 (3)	0.2688 (2)	0.0278 (9)
C35	0.4882 (3)	0.2716 (4)	0.2592 (2)	0.0394 (10)
H35A	0.446900	0.234730	0.284361	0.059*
H35B	0.473743	0.269284	0.213920	0.059*
H35C	0.492766	0.348139	0.272994	0.059*
C36	0.6154 (3)	0.1832 (3)	0.2180 (2)	0.0363 (10)
H36	0.598949	0.197116	0.175438	0.044*
C37	0.6878 (3)	0.1316 (3)	0.2294 (2)	0.0406 (11)
H37	0.721016	0.112063	0.194436	0.049*
C38	0.7122 (3)	0.1085 (3)	0.2905 (2)	0.0370 (10)
H38	0.761845	0.072581	0.297136	0.044*
C39	0.6658 (2)	0.1366 (3)	0.3426 (2)	0.0298 (9)
C40	0.6909 (3)	0.1127 (4)	0.4099 (3)	0.0440 (11)
H40A	0.697759	0.181828	0.433163	0.066*
H40B	0.741584	0.072510	0.409616	0.066*
H40C	0.649900	0.068351	0.430990	0.066*
C41	0.5568 (2)	0.1777 (3)	0.6620 (2)	0.0263 (8)
C42	0.5805 (2)	0.0682 (3)	0.6658 (2)	0.0293 (8)
C43	0.5935 (3)	0.0009 (3)	0.6074 (3)	0.0432 (11)
H43A	0.541778	−0.021491	0.589824	0.065*
H43B	0.624754	−0.064352	0.618305	0.065*
H43C	0.622491	0.044347	0.575618	0.065*
C44	0.5888 (3)	0.0228 (4)	0.7264 (3)	0.0397 (11)
H44	0.604670	−0.051553	0.730785	0.048*
C45	0.5742 (3)	0.0855 (5)	0.7802 (3)	0.0460 (12)
H45	0.579116	0.053327	0.821313	0.055*
C46	0.5524 (3)	0.1944 (4)	0.7748 (3)	0.0452 (12)
H46	0.543125	0.236364	0.812217	0.054*
C47	0.5439 (3)	0.2434 (4)	0.7156 (2)	0.0352 (10)
C48	0.5181 (4)	0.3609 (4)	0.7074 (3)	0.0601 (16)
H48A	0.549030	0.394599	0.672876	0.090*
H48B	0.527450	0.401122	0.747135	0.090*
H48C	0.461175	0.363298	0.696745	0.090*
C49	0.5590 (2)	0.6118 (3)	0.46513 (19)	0.0251 (8)
C50	0.5748 (2)	0.6956 (3)	0.5084 (2)	0.0272 (8)
C51	0.5468 (3)	0.6862 (3)	0.5761 (2)	0.0335 (9)
H51A	0.488492	0.679505	0.576812	0.050*
H51B	0.562872	0.751732	0.599833	0.050*
H51C	0.570728	0.621185	0.595776	0.050*
C52	0.6185 (2)	0.7852 (3)	0.4862 (3)	0.0323 (8)
H52	0.632142	0.842696	0.514717	0.039*
C53	0.6423 (2)	0.7911 (3)	0.4229 (2)	0.0330 (9)
H53	0.670757	0.853558	0.408235	0.040*
C54	0.6251 (2)	0.7071 (3)	0.3812 (2)	0.0331 (9)
H54	0.641741	0.712719	0.338044	0.040*
C55	0.5837 (2)	0.6142 (3)	0.4012 (2)	0.0309 (9)
C56	0.5695 (3)	0.5184 (4)	0.3583 (2)	0.0438 (11)
H56A	0.596322	0.453630	0.375809	0.066*
H56B	0.590747	0.534355	0.315812	0.066*
H56C	0.511980	0.504244	0.355315	0.066*