Betaine Chloride-Betaine Tetrachloridoferrate(III)—An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept
Abstract
:1. Introduction
2. Results and Discussion
formula | C10H24N2O2FeCl5 |
molar mass | 469.41 |
crystal system | orthorhombic |
space group | Pbcm (No. 57) |
a (Å) | 6.2717(13) |
b (Å) | 12.841(3) |
c (Å) | 25.693(5) |
α = β = γ | 90° |
volume (Å Å 3) | 2069.2(8) |
ρ | 1.507 |
Z | 4 |
T (K) | 170 |
F (000) | 964 |
μ (mm−1) | 1.388 |
reflections | 11322 |
unique | 1680 |
Rint | 0.1013 |
R1 | 0.0393 |
wR2 | 0.0752 |
Goof | 0.80 |
Fe1-Cl1 (2x) | 2.187(1) Å |
Fe1-Cl2 | 2.186(2) Å |
Fe1-Cl3 | 2.207(2) Å |
Cl1-Fe1-Cl1 | 112.85(6) ° |
Cl1-Fe1-Cl2 (2x) | 108.36(7) ° |
Cl1-Fe1-Cl3 (2x) | 108.90(7) ° |
Cl2-Fe1-Cl3 | 109.43(8) ° |
C1-N1 | 1.508(7) Å |
C2-N1 | 1.500(6) Å |
C3-N1 | 1.499(6) Å |
N1-C4 | 1.497(6) Å |
C4-C5 | 1.493(7) Å |
d(donor-acceptor) | d(H-acceptor) | ||
---|---|---|---|
C2-Cl1 | 3.585(6) Å | H2A-Cl1 | 2.949(1) Å |
C2-Cl1 | 3.650(6) Å | H2B-Cl1 | 2.692(1) Å |
C4-Cl4 | 3.535(5) Å | H4A-Cl4 | 2.1909(5) Å |
O2-Cl4 | 3.000(4) Å | H2-Cl4 | 2.6188(5) Å |
3. Experimental Section
4. Conclusions
Acknowledgements
References and Notes
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Bäcker, T.; Mudring, A.-V. Betaine Chloride-Betaine Tetrachloridoferrate(III)—An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept. Crystals 2012, 2, 110-117. https://doi.org/10.3390/cryst2010110
Bäcker T, Mudring A-V. Betaine Chloride-Betaine Tetrachloridoferrate(III)—An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept. Crystals. 2012; 2(1):110-117. https://doi.org/10.3390/cryst2010110
Chicago/Turabian StyleBäcker, Tobias, and Anja-Verena Mudring. 2012. "Betaine Chloride-Betaine Tetrachloridoferrate(III)—An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept" Crystals 2, no. 1: 110-117. https://doi.org/10.3390/cryst2010110
APA StyleBäcker, T., & Mudring, A.-V. (2012). Betaine Chloride-Betaine Tetrachloridoferrate(III)—An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept. Crystals, 2(1), 110-117. https://doi.org/10.3390/cryst2010110