Journal of Synthetic Crystals ›› 2026, Vol. 55 ›› Issue (8): 1306-1312.DOI: 10.16553/j.cnki.issn1000-985x.2026.0002
• Research Articles • Previous Articles Next Articles
MA Xinjing1(
), ZHAO Jiuzhou1, QIU Xiaowei1,2, SUN Zan1,2(
)
Received:2026-01-05
Online:2026-08-20
Published:2026-08-26
Contact:
SUN Zan
CLC Number:
MA Xinjing, ZHAO Jiuzhou, QIU Xiaowei, SUN Zan. Preparation, Crystal Structure and Solid-State Fluorescent Properties of a Cadmium Coordination Polymer[J]. Journal of Synthetic Crystals, 2026, 55(8): 1306-1312.
| Parameter | Value | Parameter | Value |
|---|---|---|---|
Formula T/K Space group b/nm β/(°) Z μ/mm-1 Unique reflns/Rint R1, wR2[I>2σ(I)] | C29H21.5O9.25N3SCd 170 P21/n 1.098 37(10) 100.527(10) 4 7.708 5 465/0.036 3 0.026 1,0.071 3 | Mr Crystal syetem a/nm c/nm V/nm3 Dc/(g·cm-3) θ/(°) GOF R1, wR2(all data) | 704.46 Monoclinic 1.066 58(10) 2.361 91(3) 2 720.41(5) 1.720 3.807 to 75.880 1.071 0.026 6,0.071 9 |
Table 1 Crystallographic data and structural refinement parameters for complex CP1
| Parameter | Value | Parameter | Value |
|---|---|---|---|
Formula T/K Space group b/nm β/(°) Z μ/mm-1 Unique reflns/Rint R1, wR2[I>2σ(I)] | C29H21.5O9.25N3SCd 170 P21/n 1.098 37(10) 100.527(10) 4 7.708 5 465/0.036 3 0.026 1,0.071 3 | Mr Crystal syetem a/nm c/nm V/nm3 Dc/(g·cm-3) θ/(°) GOF R1, wR2(all data) | 704.46 Monoclinic 1.066 58(10) 2.361 91(3) 2 720.41(5) 1.720 3.807 to 75.880 1.071 0.026 6,0.071 9 |
| Bond | Length/nm | Bond | Length/nm |
|---|---|---|---|
Cd(1)—O(7)#1 Cd(1)—N(2) Cd(1)—O(1)#2 | 0.220 67(15) 0.229 48(17) 0.231 84(16) | Cd(1)—O(2) Cd(1)—N(3) Cd(1)—O(1W) | 0.226 53(17) 0.230 88(18) 0.236 44(15) |
| Bond | Angle/(°) | Bond | Angle/(°) |
O(7)#1—Cd(1)—O(2) O(2)—Cd(1)—N(2) O(2)—Cd(1)—N(3) O(7)#1—Cd(1)—O(1)#2 N(2)—Cd(1)—O(1)#2 O(7)#1—Cd(1)—O(1W) N(2)—Cd(1)—O(1W) O(1)#2—Cd(1)—O(1W) | 96.62(6) 163.21(7) 92.79(7) 83.04(6) 91.05(7) 86.55(5) 94.87(6) 168.75(5) | O(7)#1—Cd(1)—N(2) O(7)#1—Cd(1)—N(3) N(2)—Cd(1)—N(2) O(2)—Cd(1)—O(1)#2 N(3)—Cd(1)—O(1)#2 O(2)—Cd(1)—O(1W) N(3)—Cd(1)—O(1W) | 99.74(7) 164.79(6) 72.04(7) 87.24(8) 109.41(6) 89.79(7) 81.55(6) |
Table 2 Partial bond lengths and bond angles of complex CP1
| Bond | Length/nm | Bond | Length/nm |
|---|---|---|---|
Cd(1)—O(7)#1 Cd(1)—N(2) Cd(1)—O(1)#2 | 0.220 67(15) 0.229 48(17) 0.231 84(16) | Cd(1)—O(2) Cd(1)—N(3) Cd(1)—O(1W) | 0.226 53(17) 0.230 88(18) 0.236 44(15) |
| Bond | Angle/(°) | Bond | Angle/(°) |
O(7)#1—Cd(1)—O(2) O(2)—Cd(1)—N(2) O(2)—Cd(1)—N(3) O(7)#1—Cd(1)—O(1)#2 N(2)—Cd(1)—O(1)#2 O(7)#1—Cd(1)—O(1W) N(2)—Cd(1)—O(1W) O(1)#2—Cd(1)—O(1W) | 96.62(6) 163.21(7) 92.79(7) 83.04(6) 91.05(7) 86.55(5) 94.87(6) 168.75(5) | O(7)#1—Cd(1)—N(2) O(7)#1—Cd(1)—N(3) N(2)—Cd(1)—N(2) O(2)—Cd(1)—O(1)#2 N(3)—Cd(1)—O(1)#2 O(2)—Cd(1)—O(1W) N(3)—Cd(1)—O(1W) | 99.74(7) 164.79(6) 72.04(7) 87.24(8) 109.41(6) 89.79(7) 81.55(6) |
Fig.3 Crystal structure of complex CP1. (a) Coordination environment of Cd(Ⅱ) ions (symmetry code: #1 -x-1, -y+2, -z; #2 -x, -y+1, -z); (b) coordination geometry of Cd(Ⅱ) center; (c) one-dimensional chain structure; (d) 3D supramolecular structure
| Label | Geometry | Distortion | Label | Geometry | Distortion |
|---|---|---|---|---|---|
HP-6 OC-6 JPPY-6 | Hexagon Octahedron Johnson pentagonal pyramid J2 | 28.943 2.043 24.262 | PPY-6 TPR-6 | Pentagonal pyramid Trigonal prism | 20.601 10.045 |
Table 3 Geometric configuration of Cd(Ⅱ) in complex CP1 was analyzed by the SHAPE software
| Label | Geometry | Distortion | Label | Geometry | Distortion |
|---|---|---|---|---|---|
HP-6 OC-6 JPPY-6 | Hexagon Octahedron Johnson pentagonal pyramid J2 | 28.943 2.043 24.262 | PPY-6 TPR-6 | Pentagonal pyramid Trigonal prism | 20.601 10.045 |
Fig.5 (a) Hirshfeld surface mapping of complex CP1; (b) statistical plot of the proportion of various intermolecular interactions; 2D fingerprint plots of H…H (c), H…O (d), C…H (e) and C…C (f) interactions
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