Crystal Structure and Characterization of the Dinuclear Cd(II) Complex [Cd(H2O)2(ο-HOC6H4COO)2]2
Abstract
:Introduction
Results and Discussion
Crystal Structure Study of the Title Compound
D H A | symm | D-H | H···A | D···A | D-H···A |
---|---|---|---|---|---|
O(1)-H(1A)···O(3) | – | 0.8200 | 1.7917 | 2.5222 | 147.54 |
O(8)-H(2B)···O(4) | – | 0.8446 | 1.8319 | 2.5741 | 145.71 |
O(6)- H(6A)···O(1) | -x,-1/2+y,1/2-z | 0.8200 | 2.0476 | 2.8335 | 160.42 |
O(6)- H(6B)···O(5) | x,3/2-y,1/2+z | 0.7065 | 2.3152 | 3.0104 | 168.25 |
O(7)-H(7A)···O(5) | x,3/2-y,-1/2+z | 0.8200 | 1.9050 | 2.7066 | 165.44 |
O(7)-H(7B)···O(1) | -x,-1/2+y,-1/2-z | 0.7211 | 2.2117 | 2.8687 | 152.05 |
IR Spectra
Thermal Analysis
Acknowledgements
Experimental
General
Preparation of [Cd(H2O)2(ο-HOC6H4COO)2]2
X-Ray Diffraction Analysis [15]
Empirical formula | C14H14CdO8 |
Formula weight | 422.65 |
Temperature | 293(2) K |
Wavelength | 0.71073 Å |
Crystal system, space group | Monoclinic, P21/c |
Unit cell dimensions | a = 15.742(3) Å |
b = 12.451(3) Å β = 96.07(3)o | |
c = 7.7225(15) Å | |
Volume | 1505.1(5) Å 3 |
Z, Calculated density | 4, 1.865 Mg/m3 |
Absorption coefficient | 1.491 mm-1 |
F(000) | 840 |
Crystal size | 0.30 × 0.20 × 0.18 mm |
Theta range for data collection | 1.30 to 27.58 deg |
Limiting indices | -20 ≤ h ≤ 20, -16 ≤ k ≤ 16, 0 ≤ l ≤ 10 |
Reflections collected / unique | 5198 / 3024 [R(int) = 0.0322] |
Completeness to theta = 27.43 | 86.9 % |
Refinement method | Full-matrix least-squares on F2 |
Data / restraints / parameters | 3024 / 0 / 220 |
Goodness-of-fit on F2 | 0.986 |
Final R indices [I>2σ(I)] | R1 = 0.0321, wR2 = 0.0628 |
R indices (all data) | R1 = 0.0495, wR2 = 0.0658 |
Largest diff. peak and hole | 0.379 and -1.177 e. Å -3 |
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Jian, F.; Xiao, H.; Sun, P.; Zhao, P. Crystal Structure and Characterization of the Dinuclear Cd(II) Complex [Cd(H2O)2(ο-HOC6H4COO)2]2. Molecules 2004, 9, 876-882. https://doi.org/10.3390/91000876
Jian F, Xiao H, Sun P, Zhao P. Crystal Structure and Characterization of the Dinuclear Cd(II) Complex [Cd(H2O)2(ο-HOC6H4COO)2]2. Molecules. 2004; 9(10):876-882. https://doi.org/10.3390/91000876
Chicago/Turabian StyleJian, Fangfang, Hailian Xiao, Pingping Sun, and Pusu Zhao. 2004. "Crystal Structure and Characterization of the Dinuclear Cd(II) Complex [Cd(H2O)2(ο-HOC6H4COO)2]2" Molecules 9, no. 10: 876-882. https://doi.org/10.3390/91000876