Crystal Structures of Gallium(III) Halides with Bulky Ligands
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials
2.2. Synthesis of the Complexes
2.3. Crystal Structure Determination
3. Results and Discussion
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Empirical Formula | C27H33Cl3GaO10P (1) | C27H33Br3GaO10P (2) | C27H33GaI3O10P (3) |
---|---|---|---|
Formula weight | 724.57 | 857.95 | 998.92 |
Crystal system Crystal Dimensions | Triclinic 0.38 × 0.32 × 0.24 mm | Triclinic 0.36 × 0.25 × 0.15 mm | Triclinic 0.36 × 0.28 × 0.10 mm |
Space group | Pī(No.2) | Pī(No.2) | Pī(No.2) |
Unit cell parameters a (Å) | 11.0002(10) | 11.0820(11) | 11.2385(6) |
b (Å) | 12.1039(11) | 12.7203(14) | 12.6376(7) |
c (Å) | 14.0488(13) | 13.8490(16) | 13.3734(6) |
α (°) | 72.6161(11) | 71.6261(14) | 104.4313(6) |
β (°) | 65.1529(11) | 68.7071(13) | 101.9588(6) |
γ (°) | 70.7251(11) | 69.7549(14) | 102.5358(6) |
Volume (Å3) | 1614.9(3) | 1666.0(3) | 1725.65(16) |
Z | 2 | 2 | 2 |
Calculated density (g cm−3) | 1.490 | 1.710 | 1.922 |
Temperature, K | 173.2(1) | 173.2(1) | 173.2(1) |
μ (MoKα), (mm−1) | 1.201 | 4.522 | 3.576 |
θ range for data collection (°) | 0.3 to 27.49 | 0.3 to 26.61 | 0.3 to 27.48 |
Total data collected | 14,087 | 13,675 | 15,248 |
Index ranges | −14 ≤ h ≤ 14 | −13 ≤ h ≤ 13 | −14 ≤ h ≤ 14 |
−15 ≤ k ≤ 15 | −16 ≤ k ≤ 16 | −16 ≤ k ≤ 16 | |
−18 ≤ l ≤ 18 | −17 ≤ l ≤ 17 | −17 ≤ l ≤ 17 | |
Independent reflections | 7290 (Rint = 0.0207) | 6946 (Rint = 0.0205) | 7842 (Rint = 0.0126) |
Observed reflections | 5695 | 5475 | 7029 |
Data/restraints/parameters | 7290/0/379 | 6946/10/400 | 7842/0/379 |
Goodness-of-fit on F2 | 1.060 | 1.042 | 1.025 |
Final R indices | |||
[F02 ≥ 2σ(F0)] | R1 = 0.0502 | R1 = 0.0346 | R1 = 0.0274 |
wR2 [F02 ≥ −3σ(F02)] | wR2 = 0.1336 | wR2 = 0.0913 | wR2 = 0.0754 |
Large difference peak and hole | −1.388 and 1.546 e/Å3 | −0.947 and 0.674 e/Å3 | −0.829 and 1.495 e/Å3 |
D–H—A | H—A |
---|---|
O(13)–C(19)–H—Cl(1) | 3.074 (3) |
O(31)–C(37)–H—Cl(1) | 3.084 (4) |
O(31)–C(37)–H—Cl(2) | 2.964 (3) |
O(33)–C(39)–H—Br(1A) | 3.155 (4) |
O(33)–C(39)–H—Br(1B) | 3.056 (3) |
O(13)–C(19)–H—Br(2A) | 3.097 (4) |
O(13)–C(19)–H—Br(2B) | 3.485 (4) |
O(13)-C(19)–H—Br(3A) | 3.517 (4) |
O(11)–C(17)–H—I(1) | 3.497 (4) |
O(21)–C(27)–H—I(2) | 3.473 (4) |
O(31)–C(37)–H—I(3) | 3.366 (3) |
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Sun, M.; Ge, S.; Zhao, J.; McDonald, R.; Ferguson, M.; Ma, G. Crystal Structures of Gallium(III) Halides with Bulky Ligands. Crystals 2022, 12, 330. https://doi.org/10.3390/cryst12030330
Sun M, Ge S, Zhao J, McDonald R, Ferguson M, Ma G. Crystal Structures of Gallium(III) Halides with Bulky Ligands. Crystals. 2022; 12(3):330. https://doi.org/10.3390/cryst12030330
Chicago/Turabian StyleSun, Manluan, Sai Ge, Jianguo Zhao, Robert McDonald, Michael Ferguson, and Guibin Ma. 2022. "Crystal Structures of Gallium(III) Halides with Bulky Ligands" Crystals 12, no. 3: 330. https://doi.org/10.3390/cryst12030330