Table 1.

Characteristics of O₂ derivatization experiments

Dataset	Pressure, bar	Time, min	Resolution, Å	Occupancy Oxy1, %	Fe4-E76s distance, Å	OH− ligand, %
1	56	15	1.35	63	2.8	31
2	56	15	1.30	72	2.8	27
3	56	15	1.42	71	3.1	36
4	56	15	1.44	80	2.8	28
6	56	30	1.31	79	2.5	22
7	56	30	1.45	73	2.8	39
8	56	30	1.27	92	2.4	35
9	56	30	1.32	91	2.5	41
10	56	60	1.55	91	2.6	38
5	56	77	1.37	62	2.9	36
11	70	15	1.41	100	2.6	45
12	70	15	1.45	91	2.7	32