Related literature For the structures of other related porphyrin (‘picket-fence’, tetraphenylporphyrin) derivatives, see: González & Wilson (1994) Gismelseed et al. A suitable single crystal of the title compound was mounted on a glass fiber on the goniometer head of a Bruker APEX diffractometer and data were collected using graphite monochromated Cu-K radiation ( 1.54178, operating at 50 kV and 40 mA) at a temperature of 100 K. One ethylene group is disordered over two orientations in a 0.502 (6):0.498 (6) ratio. The Fe atom is displaced by 0.219 (2) A ˚ toward the trifluoromethanesulfonate anion from the 24-atom mean plane of the porphyrin, resulting in a distorted FeN4O square-based pyramidal geometry. Bioz Stars score: 97/100, based on 1 PubMed citations.
#Bruker apex iii software#
Data reduction and absorption correction were performed with the SAINT 28 and SADABS 29 software packages, respectively. Bruker Corporation apex iii fourier transform ion cyclotron resonance ft icr Apex Iii Fourier Transform Ion Cyclotron Resonance Ft Icr, supplied by Bruker Corporation, used in various techniques. 3-axis goniometer module with SMART APEX detector (see Section 3.2) Radiation safety enclosure with interlocks and warning lights D8 controller Refrigerated recirculator for SMART APEX detector Computer 3 Hardware Overview Figure 3-1. The title compound,, is an iron(III) porphyrin complex with the trifluoromethanesulfonate anion as an axial ligand. Single crystal X-ray diffraction (SCXRD) data were collected for 1 at 299 K using Graphite monochromated Mo K ( 0.71073 ) on a Bruker D8 QUEST Apex III CCD area detector diffractometer. The SMART APEX system (Figure 3-1) consists of the following basic components. 6731 reflections 452 parameters Z =2 Mo K radiation = 0.56 mm 1 T = 100 (2) K 0.52 0.36 0.35 mm 17956 measured reflections 6731 independent reflections 6207 reflections with I>2 (I) Rint = 0.019 26 restraints H-atom parameters constrained max = 1.02 e A ˚ 3 min = 0.65 e A ˚ 3 Key indicators: single-crystal X-ray study T = 100 K mean (C–C) = 0.003 A˚ disorder in main residue R factor = 0.038 wR factor = 0.107 data-to-parameter ratio = 14.9.
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