Buy article online - an online subscription or single-article purchase is required to access this article.
A novel two-dimensional Cd
II coordination framework, poly[[[μ-1,3-bis(2-methyl-1
H-imidazol-1-yl)benzene-κ
2N:
N′](μ-1,3-phenylenediacetato-κ
4O,
O′:
O′′,
O′′′)cadmium(II)] dihydrate], {[Cd(C
10H
8O
4)(C
14H
14N
4)]·2H
2O}
n or {[Cd(PDA)(1,3-BMIB)]·2H
2O}
n [1,3-BMIB is 1,3-bis(2-methyl-1
H-imidazol-1-yl)benzene and H
2PDA is 1,3-phenylenediacetic acid], has been prepared and characterized using IR, elemental analysis, thermal analysis and single-crystal X-ray diffraction, the latter revealing that the compound is a (4,4) grid coordination polymer with layers oriented parallel to the
bc crystal planes. In the crystal, adjacent layers are further connected by O—H
O and C—H
O hydrogen bonds, forming a three-dimensional structure in the solid state. In addition, the compound exhibits strong fluorescence emissions and shows photocatalytic activity for the degradation of methylene blue in the solid state at room temperature.
Supporting information
CCDC reference: 1875220
Data collection: APEX3 (Bruker, 2018); cell refinement: SAINT (Bruker, 2018); data reduction: SAINT (Bruker, 2018); program(s) used to solve structure: SHELXS2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2005); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015b).
Poly[[[µ-1,3-bis(2-methyl-1
H-imidazol-1-yl)benzene-
κ2N:
N'](µ-1,3-phenylenediacetato-
κ4O,
O':
O'',
O''')cadmium(II)] dihydrate]
top
Crystal data top
[Cd(C10H8O4)(C14H14N4)]·2H2O | Z = 2 |
Mr = 578.89 | F(000) = 588 |
Triclinic, P1 | Dx = 1.561 Mg m−3 |
a = 9.643 (8) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 10.934 (9) Å | Cell parameters from 9712 reflections |
c = 11.787 (9) Å | θ = 2.1–27.8° |
α = 95.776 (15)° | µ = 0.93 mm−1 |
β = 94.925 (16)° | T = 296 K |
γ = 91.207 (17)° | Block, colorless |
V = 1231.4 (17) Å3 | 0.21 × 0.19 × 0.17 mm |
Data collection top
Bruker APEXII CCD area detector diffractometer | 3414 reflections with I > 2σ(I) |
phi and ω scans | Rint = 0.054 |
Absorption correction: multi-scan (SADABS; Bruker, 2008) | θmax = 26.0°, θmin = 1.9° |
Tmin = 0.822, Tmax = 0.853 | h = −11→11 |
10600 measured reflections | k = −13→13 |
4813 independent reflections | l = −14→14 |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.047 | H-atom parameters constrained |
wR(F2) = 0.119 | w = 1/[σ2(Fo2) + (0.057P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.96 | (Δ/σ)max < 0.001 |
4813 reflections | Δρmax = 0.53 e Å−3 |
318 parameters | Δρmin = −1.25 e Å−3 |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
C1 | 0.5720 (6) | 0.5366 (5) | 0.3536 (5) | 0.0492 (14) | |
C2 | 0.4889 (6) | 0.6532 (5) | 0.3630 (5) | 0.0566 (15) | |
H2A | 0.3977 | 0.6324 | 0.3858 | 0.068* | |
H2B | 0.5348 | 0.7099 | 0.4240 | 0.068* | |
C3 | 0.4687 (5) | 0.7199 (4) | 0.2561 (4) | 0.0384 (12) | |
C4 | 0.4411 (5) | 0.8452 (4) | 0.2692 (4) | 0.0387 (12) | |
H4 | 0.4420 | 0.8847 | 0.3429 | 0.046* | |
C5 | 0.4124 (5) | 0.9138 (4) | 0.1770 (4) | 0.0373 (11) | |
C6 | 0.4132 (5) | 0.8547 (5) | 0.0664 (5) | 0.0441 (13) | |
H6 | 0.3934 | 0.8979 | 0.0033 | 0.053* | |
C7 | 0.4437 (5) | 0.7317 (5) | 0.0515 (4) | 0.0467 (13) | |
H7 | 0.4480 | 0.6936 | −0.0222 | 0.056* | |
C8 | 0.4679 (5) | 0.6635 (5) | 0.1440 (4) | 0.0441 (13) | |
H8 | 0.4838 | 0.5798 | 0.1314 | 0.053* | |
C9 | 0.3755 (5) | 1.0466 (5) | 0.1959 (5) | 0.0514 (14) | |
H9A | 0.2932 | 1.0527 | 0.2378 | 0.062* | |
H9B | 0.3525 | 1.0768 | 0.1222 | 0.062* | |
C10 | 0.4919 (6) | 1.1288 (4) | 0.2617 (5) | 0.0430 (13) | |
C11 | 0.8077 (5) | 0.4551 (4) | 0.1327 (4) | 0.0409 (12) | |
H11 | 0.7610 | 0.5255 | 0.1563 | 0.049* | |
C12 | 0.8605 (5) | 0.4340 (4) | 0.0319 (4) | 0.0372 (11) | |
H12 | 0.8563 | 0.4846 | −0.0272 | 0.045* | |
C13 | 0.9025 (5) | 0.2775 (4) | 0.1342 (4) | 0.0371 (11) | |
C14 | 0.9934 (5) | 0.2616 (4) | −0.0594 (4) | 0.0326 (11) | |
C15 | 0.9205 (5) | 0.2427 (4) | −0.1669 (4) | 0.0367 (11) | |
H15 | 0.8280 | 0.2647 | −0.1782 | 0.044* | |
C16 | 0.9904 (5) | 0.1897 (4) | −0.2570 (4) | 0.0359 (11) | |
C17 | 1.1256 (5) | 0.1554 (5) | −0.2422 (4) | 0.0440 (13) | |
H17 | 1.1704 | 0.1210 | −0.3040 | 0.053* | |
C18 | 1.1954 (5) | 0.1726 (5) | −0.1333 (5) | 0.0463 (13) | |
H18 | 1.2863 | 0.1468 | −0.1218 | 0.056* | |
C19 | 1.1303 (5) | 0.2277 (4) | −0.0419 (4) | 0.0406 (12) | |
H19 | 1.1781 | 0.2417 | 0.0303 | 0.049* | |
C20 | 0.8581 (5) | 0.0650 (5) | −0.4251 (4) | 0.0443 (13) | |
H20 | 0.8669 | −0.0132 | −0.4012 | 0.053* | |
C21 | 0.7859 (6) | 0.0949 (5) | −0.5218 (4) | 0.0476 (13) | |
H21 | 0.7358 | 0.0397 | −0.5762 | 0.057* | |
C22 | 0.8798 (5) | 0.2656 (5) | −0.4339 (4) | 0.0398 (12) | |
C23 | 0.9483 (6) | 0.1562 (5) | 0.1687 (5) | 0.0543 (15) | |
H23A | 1.0296 | 0.1681 | 0.2220 | 0.081* | |
H23B | 0.9698 | 0.1043 | 0.1022 | 0.081* | |
H23C | 0.8749 | 0.1179 | 0.2040 | 0.081* | |
C24 | 0.9242 (6) | 0.3968 (5) | −0.4025 (5) | 0.0607 (16) | |
H24A | 0.8982 | 0.4435 | −0.4653 | 0.091* | |
H24B | 1.0234 | 0.4026 | −0.3854 | 0.091* | |
H24C | 0.8797 | 0.4288 | −0.3365 | 0.091* | |
Cd1 | 0.69218 (4) | 0.31120 (3) | 0.33160 (3) | 0.03812 (14) | |
N1 | 0.8321 (4) | 0.3580 (4) | 0.1972 (3) | 0.0386 (10) | |
N2 | 0.9233 (4) | 0.3206 (3) | 0.0334 (3) | 0.0319 (9) | |
N3 | 0.9157 (4) | 0.1731 (4) | −0.3693 (3) | 0.0396 (10) | |
N4 | 0.7984 (4) | 0.2198 (4) | −0.5267 (3) | 0.0412 (10) | |
O1 | 0.5250 (4) | 0.4471 (3) | 0.2838 (4) | 0.0656 (12) | |
O2 | 0.6833 (4) | 0.5293 (4) | 0.4142 (3) | 0.0666 (12) | |
O3 | 0.6054 (4) | 1.1358 (4) | 0.2180 (3) | 0.0596 (11) | |
O4 | 0.4722 (4) | 1.1873 (4) | 0.3549 (3) | 0.0663 (11) | |
O5 | 0.2362 (5) | 0.3928 (4) | 0.2076 (4) | 0.0873 (15) | |
H5A | 0.3217 | 0.4150 | 0.2193 | 0.131* | |
H5B | 0.2154 | 0.3541 | 0.2632 | 0.131* | |
O6 | 0.2129 (5) | 0.2639 (5) | 0.4184 (4) | 0.0955 (16) | |
H6B | 0.2263 | 0.3282 | 0.4654 | 0.143* | |
H6A | 0.2912 | 0.2305 | 0.4136 | 0.143* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.052 (4) | 0.054 (4) | 0.048 (3) | 0.016 (3) | 0.025 (3) | 0.020 (3) |
C2 | 0.072 (4) | 0.059 (4) | 0.042 (3) | 0.026 (3) | 0.012 (3) | 0.009 (3) |
C3 | 0.033 (3) | 0.045 (3) | 0.037 (3) | 0.003 (2) | 0.003 (2) | 0.003 (2) |
C4 | 0.039 (3) | 0.041 (3) | 0.034 (3) | 0.007 (2) | −0.003 (2) | −0.007 (2) |
C5 | 0.024 (2) | 0.038 (3) | 0.049 (3) | −0.004 (2) | −0.001 (2) | 0.004 (2) |
C6 | 0.037 (3) | 0.046 (3) | 0.049 (3) | −0.010 (2) | −0.004 (2) | 0.010 (3) |
C7 | 0.053 (3) | 0.051 (3) | 0.034 (3) | −0.007 (3) | 0.001 (2) | −0.005 (2) |
C8 | 0.044 (3) | 0.037 (3) | 0.051 (3) | 0.004 (2) | 0.004 (3) | −0.001 (2) |
C9 | 0.048 (3) | 0.044 (3) | 0.059 (4) | 0.001 (3) | −0.007 (3) | 0.004 (3) |
C10 | 0.051 (3) | 0.026 (3) | 0.053 (3) | 0.000 (2) | −0.002 (3) | 0.010 (2) |
C11 | 0.041 (3) | 0.035 (3) | 0.047 (3) | −0.002 (2) | 0.010 (2) | 0.005 (2) |
C12 | 0.036 (3) | 0.038 (3) | 0.038 (3) | 0.005 (2) | 0.002 (2) | 0.006 (2) |
C13 | 0.037 (3) | 0.040 (3) | 0.035 (3) | −0.001 (2) | 0.003 (2) | 0.003 (2) |
C14 | 0.034 (3) | 0.033 (3) | 0.031 (3) | 0.002 (2) | 0.004 (2) | 0.001 (2) |
C15 | 0.033 (3) | 0.041 (3) | 0.035 (3) | 0.005 (2) | −0.001 (2) | 0.001 (2) |
C16 | 0.041 (3) | 0.037 (3) | 0.028 (3) | 0.003 (2) | −0.001 (2) | 0.002 (2) |
C17 | 0.042 (3) | 0.052 (3) | 0.039 (3) | 0.009 (3) | 0.013 (2) | −0.002 (2) |
C18 | 0.036 (3) | 0.049 (3) | 0.053 (3) | 0.011 (2) | 0.005 (3) | 0.001 (3) |
C19 | 0.037 (3) | 0.046 (3) | 0.036 (3) | 0.002 (2) | −0.004 (2) | −0.001 (2) |
C20 | 0.058 (3) | 0.034 (3) | 0.040 (3) | 0.007 (2) | 0.003 (3) | −0.001 (2) |
C21 | 0.059 (3) | 0.042 (3) | 0.038 (3) | 0.011 (3) | 0.000 (3) | −0.008 (2) |
C22 | 0.043 (3) | 0.047 (3) | 0.030 (3) | 0.005 (2) | 0.008 (2) | 0.005 (2) |
C23 | 0.065 (4) | 0.049 (3) | 0.055 (3) | 0.017 (3) | 0.019 (3) | 0.021 (3) |
C24 | 0.076 (4) | 0.048 (3) | 0.057 (4) | −0.008 (3) | −0.009 (3) | 0.011 (3) |
Cd1 | 0.0474 (3) | 0.0384 (2) | 0.0285 (2) | 0.00463 (16) | 0.00428 (16) | 0.00203 (15) |
N1 | 0.038 (2) | 0.041 (2) | 0.037 (2) | 0.0024 (19) | 0.0071 (19) | 0.0007 (19) |
N2 | 0.034 (2) | 0.034 (2) | 0.028 (2) | 0.0013 (17) | 0.0035 (17) | 0.0031 (17) |
N3 | 0.049 (3) | 0.038 (2) | 0.031 (2) | 0.004 (2) | 0.0011 (19) | 0.0017 (19) |
N4 | 0.055 (3) | 0.041 (2) | 0.028 (2) | 0.011 (2) | 0.002 (2) | 0.0043 (18) |
O1 | 0.061 (3) | 0.043 (2) | 0.088 (3) | 0.009 (2) | −0.004 (2) | −0.006 (2) |
O2 | 0.076 (3) | 0.069 (3) | 0.051 (2) | 0.034 (2) | −0.010 (2) | −0.005 (2) |
O3 | 0.054 (3) | 0.070 (3) | 0.051 (2) | −0.013 (2) | 0.008 (2) | −0.007 (2) |
O4 | 0.066 (3) | 0.069 (3) | 0.060 (3) | 0.006 (2) | 0.013 (2) | −0.017 (2) |
O5 | 0.070 (3) | 0.120 (4) | 0.066 (3) | −0.017 (3) | −0.009 (2) | −0.001 (3) |
O6 | 0.065 (3) | 0.108 (4) | 0.106 (4) | 0.002 (3) | 0.009 (3) | −0.024 (3) |
Geometric parameters (Å, º) top
C1—O2 | 1.246 (6) | C16—C17 | 1.366 (7) |
C1—O1 | 1.263 (7) | C16—N3 | 1.445 (6) |
C1—C2 | 1.520 (7) | C17—C18 | 1.390 (7) |
C2—C3 | 1.520 (7) | C17—H17 | 0.9300 |
C2—H2A | 0.9700 | C18—C19 | 1.385 (7) |
C2—H2B | 0.9700 | C18—H18 | 0.9300 |
C3—C4 | 1.397 (6) | C19—H19 | 0.9300 |
C3—C8 | 1.400 (7) | C20—C21 | 1.356 (7) |
C4—C5 | 1.393 (6) | C20—N3 | 1.375 (6) |
C4—H4 | 0.9300 | C20—H20 | 0.9300 |
C5—C6 | 1.395 (7) | C21—N4 | 1.376 (6) |
C5—C9 | 1.502 (7) | C21—H21 | 0.9300 |
C6—C7 | 1.380 (7) | C22—N4 | 1.337 (6) |
C6—H6 | 0.9300 | C22—N3 | 1.358 (6) |
C7—C8 | 1.387 (7) | C22—C24 | 1.490 (7) |
C7—H7 | 0.9300 | C23—H23A | 0.9600 |
C8—H8 | 0.9300 | C23—H23B | 0.9600 |
C9—C10 | 1.529 (7) | C23—H23C | 0.9600 |
C9—H9A | 0.9700 | C24—H24A | 0.9600 |
C9—H9B | 0.9700 | C24—H24B | 0.9600 |
C10—O4 | 1.245 (6) | C24—H24C | 0.9600 |
C10—O3 | 1.253 (6) | Cd1—N4i | 2.219 (4) |
C11—C12 | 1.334 (7) | Cd1—N1 | 2.256 (4) |
C11—N1 | 1.379 (6) | Cd1—O1 | 2.288 (4) |
C11—H11 | 0.9300 | Cd1—O3ii | 2.322 (4) |
C12—N2 | 1.393 (6) | Cd1—O2 | 2.490 (4) |
C12—H12 | 0.9300 | Cd1—O4ii | 2.543 (4) |
C13—N1 | 1.329 (6) | N4—Cd1iii | 2.219 (4) |
C13—N2 | 1.350 (6) | O3—Cd1iv | 2.322 (4) |
C13—C23 | 1.491 (6) | O4—Cd1iv | 2.543 (4) |
C14—C19 | 1.383 (6) | O5—H5A | 0.8500 |
C14—C15 | 1.389 (6) | O5—H5B | 0.8500 |
C14—N2 | 1.439 (5) | O6—H6B | 0.8500 |
C15—C16 | 1.391 (6) | O6—H6A | 0.8500 |
C15—H15 | 0.9300 | | |
| | | |
O2—C1—O1 | 120.9 (5) | C17—C18—H18 | 119.8 |
O2—C1—C2 | 120.6 (6) | C14—C19—C18 | 119.2 (4) |
O1—C1—C2 | 118.5 (5) | C14—C19—H19 | 120.4 |
C3—C2—C1 | 116.6 (4) | C18—C19—H19 | 120.4 |
C3—C2—H2A | 108.1 | C21—C20—N3 | 106.5 (4) |
C1—C2—H2A | 108.1 | C21—C20—H20 | 126.8 |
C3—C2—H2B | 108.1 | N3—C20—H20 | 126.8 |
C1—C2—H2B | 108.1 | C20—C21—N4 | 109.2 (5) |
H2A—C2—H2B | 107.3 | C20—C21—H21 | 125.4 |
C4—C3—C8 | 117.0 (4) | N4—C21—H21 | 125.4 |
C4—C3—C2 | 118.2 (4) | N4—C22—N3 | 109.3 (4) |
C8—C3—C2 | 124.7 (5) | N4—C22—C24 | 126.7 (4) |
C5—C4—C3 | 123.1 (4) | N3—C22—C24 | 124.0 (4) |
C5—C4—H4 | 118.5 | C13—C23—H23A | 109.5 |
C3—C4—H4 | 118.5 | C13—C23—H23B | 109.5 |
C4—C5—C6 | 118.3 (4) | H23A—C23—H23B | 109.5 |
C4—C5—C9 | 120.8 (5) | C13—C23—H23C | 109.5 |
C6—C5—C9 | 120.8 (5) | H23A—C23—H23C | 109.5 |
C7—C6—C5 | 119.6 (5) | H23B—C23—H23C | 109.5 |
C7—C6—H6 | 120.2 | C22—C24—H24A | 109.5 |
C5—C6—H6 | 120.2 | C22—C24—H24B | 109.5 |
C6—C7—C8 | 121.5 (5) | H24A—C24—H24B | 109.5 |
C6—C7—H7 | 119.2 | C22—C24—H24C | 109.5 |
C8—C7—H7 | 119.2 | H24A—C24—H24C | 109.5 |
C7—C8—C3 | 120.4 (5) | H24B—C24—H24C | 109.5 |
C7—C8—H8 | 119.8 | N4i—Cd1—N1 | 114.26 (15) |
C3—C8—H8 | 119.8 | N4i—Cd1—O1 | 145.18 (16) |
C5—C9—C10 | 113.7 (4) | N1—Cd1—O1 | 94.83 (16) |
C5—C9—H9A | 108.8 | N4i—Cd1—O3ii | 98.13 (15) |
C10—C9—H9A | 108.8 | N1—Cd1—O3ii | 91.32 (15) |
C5—C9—H9B | 108.8 | O1—Cd1—O3ii | 99.96 (15) |
C10—C9—H9B | 108.8 | N4i—Cd1—O2 | 103.33 (14) |
H9A—C9—H9B | 107.7 | N1—Cd1—O2 | 93.06 (14) |
O4—C10—O3 | 122.0 (5) | O1—Cd1—O2 | 54.14 (14) |
O4—C10—C9 | 120.3 (5) | O3ii—Cd1—O2 | 154.00 (14) |
O3—C10—C9 | 117.8 (5) | N4i—Cd1—O4ii | 88.39 (15) |
C12—C11—N1 | 110.5 (4) | N1—Cd1—O4ii | 141.31 (14) |
C12—C11—H11 | 124.7 | O1—Cd1—O4ii | 79.21 (15) |
N1—C11—H11 | 124.7 | O3ii—Cd1—O4ii | 53.13 (13) |
C11—C12—N2 | 105.7 (4) | O2—Cd1—O4ii | 112.59 (14) |
C11—C12—H12 | 127.2 | C13—N1—C11 | 106.1 (4) |
N2—C12—H12 | 127.2 | C13—N1—Cd1 | 125.4 (3) |
N1—C13—N2 | 110.0 (4) | C11—N1—Cd1 | 122.4 (3) |
N1—C13—C23 | 124.9 (4) | C13—N2—C12 | 107.7 (4) |
N2—C13—C23 | 125.1 (4) | C13—N2—C14 | 127.8 (4) |
C19—C14—C15 | 121.3 (4) | C12—N2—C14 | 124.5 (4) |
C19—C14—N2 | 120.6 (4) | C22—N3—C20 | 108.1 (4) |
C15—C14—N2 | 118.0 (4) | C22—N3—C16 | 124.9 (4) |
C14—C15—C16 | 117.7 (4) | C20—N3—C16 | 126.8 (4) |
C14—C15—H15 | 121.1 | C22—N4—C21 | 106.9 (4) |
C16—C15—H15 | 121.1 | C22—N4—Cd1iii | 131.2 (3) |
C17—C16—C15 | 122.2 (4) | C21—N4—Cd1iii | 121.8 (3) |
C17—C16—N3 | 120.2 (4) | C1—O1—Cd1 | 96.9 (3) |
C15—C16—N3 | 117.7 (4) | C1—O2—Cd1 | 87.9 (3) |
C16—C17—C18 | 119.1 (5) | C10—O3—Cd1iv | 96.5 (3) |
C16—C17—H17 | 120.5 | C10—O4—Cd1iv | 86.4 (3) |
C18—C17—H17 | 120.5 | H5A—O5—H5B | 108.0 |
C19—C18—C17 | 120.5 (5) | H6B—O6—H6A | 107.1 |
C19—C18—H18 | 119.8 | | |
| | | |
O2—C1—C2—C3 | 118.2 (6) | C12—C11—N1—Cd1 | −152.9 (3) |
O1—C1—C2—C3 | −62.4 (7) | N1—C13—N2—C12 | −1.0 (5) |
C1—C2—C3—C4 | −156.7 (5) | C23—C13—N2—C12 | 177.5 (5) |
C1—C2—C3—C8 | 27.1 (8) | N1—C13—N2—C14 | −179.3 (4) |
C8—C3—C4—C5 | 0.6 (7) | C23—C13—N2—C14 | −0.8 (8) |
C2—C3—C4—C5 | −175.9 (5) | C11—C12—N2—C13 | 1.4 (5) |
C3—C4—C5—C6 | −0.9 (7) | C11—C12—N2—C14 | 179.8 (4) |
C3—C4—C5—C9 | 176.5 (5) | C19—C14—N2—C13 | −58.1 (7) |
C4—C5—C6—C7 | −0.7 (7) | C15—C14—N2—C13 | 123.4 (5) |
C9—C5—C6—C7 | −178.2 (5) | C19—C14—N2—C12 | 123.8 (5) |
C5—C6—C7—C8 | 2.8 (8) | C15—C14—N2—C12 | −54.7 (6) |
C6—C7—C8—C3 | −3.1 (8) | N4—C22—N3—C20 | 1.8 (6) |
C4—C3—C8—C7 | 1.4 (7) | C24—C22—N3—C20 | −179.2 (5) |
C2—C3—C8—C7 | 177.7 (5) | N4—C22—N3—C16 | −173.1 (4) |
C4—C5—C9—C10 | 62.7 (7) | C24—C22—N3—C16 | 5.9 (8) |
C6—C5—C9—C10 | −119.9 (5) | C21—C20—N3—C22 | −1.2 (6) |
C5—C9—C10—O4 | −119.8 (5) | C21—C20—N3—C16 | 173.5 (4) |
C5—C9—C10—O3 | 61.0 (6) | C17—C16—N3—C22 | −108.4 (6) |
N1—C11—C12—N2 | −1.3 (5) | C15—C16—N3—C22 | 70.7 (6) |
C19—C14—C15—C16 | −0.8 (7) | C17—C16—N3—C20 | 77.7 (7) |
N2—C14—C15—C16 | 177.7 (4) | C15—C16—N3—C20 | −103.2 (6) |
C14—C15—C16—C17 | 0.8 (7) | N3—C22—N4—C21 | −1.6 (6) |
C14—C15—C16—N3 | −178.4 (4) | C24—C22—N4—C21 | 179.4 (5) |
C15—C16—C17—C18 | 0.7 (8) | N3—C22—N4—Cd1iii | 177.4 (3) |
N3—C16—C17—C18 | 179.9 (5) | C24—C22—N4—Cd1iii | −1.5 (8) |
C16—C17—C18—C19 | −2.3 (8) | C20—C21—N4—C22 | 0.9 (6) |
C15—C14—C19—C18 | −0.7 (7) | C20—C21—N4—Cd1iii | −178.3 (3) |
N2—C14—C19—C18 | −179.2 (4) | O2—C1—O1—Cd1 | 3.9 (6) |
C17—C18—C19—C14 | 2.2 (8) | C2—C1—O1—Cd1 | −175.5 (4) |
N3—C20—C21—N4 | 0.2 (6) | O1—C1—O2—Cd1 | −3.6 (5) |
N2—C13—N1—C11 | 0.2 (5) | C2—C1—O2—Cd1 | 175.8 (4) |
C23—C13—N1—C11 | −178.3 (5) | O4—C10—O3—Cd1iv | −15.3 (5) |
N2—C13—N1—Cd1 | 152.8 (3) | C9—C10—O3—Cd1iv | 163.9 (4) |
C23—C13—N1—Cd1 | −25.7 (7) | O3—C10—O4—Cd1iv | 13.9 (5) |
C12—C11—N1—C13 | 0.7 (6) | C9—C10—O4—Cd1iv | −165.3 (4) |
Symmetry codes: (i) x, y, z+1; (ii) x, y−1, z; (iii) x, y, z−1; (iv) x, y+1, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C19—H19···O5v | 0.93 | 2.54 | 3.360 (7) | 147 |
C6—H6···O3vi | 0.93 | 2.60 | 3.354 (7) | 139 |
O6—H6B···O2vii | 0.85 | 2.12 | 2.945 (6) | 164 |
O6—H6A···O4ii | 0.85 | 1.98 | 2.793 (6) | 160 |
O5—H5B···O6 | 0.85 | 2.17 | 3.000 (7) | 167 |
O5—H5A···O1 | 0.85 | 2.05 | 2.883 (6) | 166 |
C8—H8···O1 | 0.93 | 2.43 | 3.051 (7) | 124 |
Symmetry codes: (ii) x, y−1, z; (v) x+1, y, z; (vi) −x+1, −y+2, −z; (vii) −x+1, −y+1, −z+1. |
Subscribe to Acta Crystallographica Section C: Structural Chemistry
The full text of this article is available to subscribers to the journal.
If you have already registered and are using a computer listed in your registration details, please email
support@iucr.org for assistance.