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. 2017 Apr 10;4(Pt 3):263–270. doi: 10.1107/S2052252517002159

Table 1. Peak values from UV–Vis spectra measured for different DtpA species both in solution and in the crystalline form.

Crystal measurements were collected at 100 K and solution data at 293 K.

  Soret band (nm) β and α bands (nm) CT band (nm) Reference
Ferric (solution) 406 502 635 Petrus et al. (2016)
Ferric (crystal) 404 532, 560 624 This work
Oxyferrous complex (solution) 420 539, 571 635 Petrus et al. (2016)
Oxyferrous complex (crystal) 416 526, 557 627 This work
Compound II (solution) 419 528, 557 621 Petrus et al. (2016)
Compound III (solution) 416 541, 577 Petrus et al. (2016)
Putative compound III (H2O2-treated crystal) 415 535, 574 This work
Putative deoxyferrous form (X-ray-irradiated crystal) 420 525, 556 624 This work