Chem. J. Chinese Universities ›› 2016, Vol. 37 ›› Issue (10): 1763.doi: 10.7503/cjcu20160343
• Articles: Inorganic Chemistry • Previous Articles Next Articles
Received:
2016-05-16
Online:
2016-10-10
Published:
2016-09-20
Contact:
ZHAO Lun
E-mail:zhaolun7511@126.com
CLC Number:
TrendMD:
ZHAO Lun, ZHAO Changjiang. Syntheses, Characterizations and Properties of Two Unusual (3,4,6) and (3,6)-Connected Polynuclear 3D Metal-organic Frameworks†[J]. Chem. J. Chinese Universities, 2016, 37(10): 1763.
Compound | 1 | 2 | Z | 4 | 2 |
---|---|---|---|---|---|
CCDC No. | 1404000 | 1447781 | Dc/(g·cm-3) | 0.737 | 1.678 |
Molecular formula | C64H56N6O19Cu3 | C51H34N4O18Zn3 | μ/mm-1 | 0.595 | 1.605 |
Formula weight | 1403.80 | 1187.06 | F(000) | 2564 | 1204 |
Crystal system | Monoclinic | Triclinic | Total/unique reflections | 31840, 11316 | 17631, 11617 |
Space group | C2/m | P | Rint | 0.0630 | 0.0220 |
a/nm | 2.1738(2) | 0.98622(6) | Observed reflections[I>2σ(I)] | 6298 | 8729 |
b/nm | 3.8788(4) | 1.01973(7) | Nref, Npar | 11316, 373 | 11617, 685 |
c/nm | 1.57057(14) | 2.60962(17) | R1, wR2[I>2σ(I)] | 0.0478, 0.1341 | 0.0403, 0.0987 |
α/(°) | 90.00 | 92.9990(10) | R1, wR2(all data) | 0.0859,0.1427 | 0.0630,0.1162 |
β/(°) | 121.086(2) | 99.3410(10) | S | 0.921 | 1.056 |
γ/(°) | 90.00 | 113.8340(10) | Largest diff. peak and hole/(e·nm-3) | 630, -348 | 752, -655 |
V/nm3 | 11.3406(18) | 2.3485(3) |
Table 1 Crystal data and structure refinement of compounds 1 and 2
Compound | 1 | 2 | Z | 4 | 2 |
---|---|---|---|---|---|
CCDC No. | 1404000 | 1447781 | Dc/(g·cm-3) | 0.737 | 1.678 |
Molecular formula | C64H56N6O19Cu3 | C51H34N4O18Zn3 | μ/mm-1 | 0.595 | 1.605 |
Formula weight | 1403.80 | 1187.06 | F(000) | 2564 | 1204 |
Crystal system | Monoclinic | Triclinic | Total/unique reflections | 31840, 11316 | 17631, 11617 |
Space group | C2/m | P | Rint | 0.0630 | 0.0220 |
a/nm | 2.1738(2) | 0.98622(6) | Observed reflections[I>2σ(I)] | 6298 | 8729 |
b/nm | 3.8788(4) | 1.01973(7) | Nref, Npar | 11316, 373 | 11617, 685 |
c/nm | 1.57057(14) | 2.60962(17) | R1, wR2[I>2σ(I)] | 0.0478, 0.1341 | 0.0403, 0.0987 |
α/(°) | 90.00 | 92.9990(10) | R1, wR2(all data) | 0.0859,0.1427 | 0.0630,0.1162 |
β/(°) | 121.086(2) | 99.3410(10) | S | 0.921 | 1.056 |
γ/(°) | 90.00 | 113.8340(10) | Largest diff. peak and hole/(e·nm-3) | 630, -348 | 752, -655 |
V/nm3 | 11.3406(18) | 2.3485(3) |
Fig.2 Coordination environment of the Cu(Ⅱ) ions(A), a 3D framework formed by each BCPBA3- ligand linking three secondary building units(B), an infinite 3D framework generated by the linkage of the adjacent dinuclear Cu2 SBUs by bpmp ligand(C) and view of 3D self-penetrating structure(D, E)Hydrogen atoms are omitted for clarity. Symmetry codes: #1: -x, y, -z; #2: -x, -y+1, -z; #3: x, -y+1, z; #4: -x+0.5, -y+0.5, -z; #5: -x+0.5, -y+0.5, -z-1; #6: x, y, z-1; #7: x, y, z+1; #8: -x-0.5, -y+0.5, -z-2.
Fig.3 Coordination environment of the Zn(Ⅱ) ions(A), the trinuclear Zn(Ⅱ) SBUs(B) and the 3D framework with (42·6)2(44·62·88·10) topology structure(C)Hydrogen atoms are omitted for clarity. Symmetry codes: #1: -x+1, -y, -z+1; #2: -x+1,-y,-z+2; #3: -x, -y, -z+1; #4: -x+2, -y+1, -z+2.
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