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In the development of coordination-driven crystalline materials, O- and N-atom donors from carboxyl­ate and pyridyl-based ligands are widely used classes of multidentate bridging ligands composed of several terminal coordinating groups linked by either rigid or flexible spacers. The rigidity of the ligands can play a vital role in the determination of the structures formed. A new CdII supra­molecular compound, namely poly[μ-adipato-κ2O1:O4-μ-adipato-κ4O1,O1′:O4,O4′-di­aqua­bis­[μ-1,4-bis­(pyridin-4-yl)-1,3-butadiene-κ2N:N′]dicadmium(II)], [Cd2(C6H8O4)2(C14H12N2)2(H2O)2]n, (I), has been synthesized by the self-assembly of Cd(NO3)2·4H2O, adipic acid (hexane-1,6-dioic acid; H2adp) and the dipyridyl ligand 1,4-bis­(pyridin-4-yl)buta-1,3-diene (1,4-bpbd) under hydro­thermal conditions. Single-crystal X-ray diffraction analysis reveals that each CdII centre is located in a distorted octa­hedral coordination environment, coordinated by one water O atom, three carboxyl­ate O atoms from two different adp2− ligands and two N atoms from two different 1,4-bpbd ligands. The Cd(H2O) units are inter­connected by the μ22-adp2−, μ24-adp2− and 1,4-bpbd ligands, which lie across centres of inversion, to give a 66-dia network. Large cavities within a single diamondoid network permit the mutual threefold inter­penetration of crystallographically equivalent frameworks. Hydrogen-bonding inter­actions between the coordinated water mol­ecules and adp2− carboxyl­ate O atoms anchor the inter­penetrating networks into a unique three-dimensional supra­molecular structure. Topologically, taking the coordinated water mol­ecules and CdII centres as nodes, the whole architecture can be simplified as a binodal (3,7)-connected supra­molecular framework. The identity of (I) was further characterized by IR spectroscopy, elemental analysis, thermogravimetric analysis and powder X-ray diffraction. The solid-state photoluminescence properties of (I) were also investigated.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229617013560/yp3147sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229617013560/yp3147Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229617013560/yp3147sup3.pdf
TGA curve, IR spectrum, PXRD pattern and photoluminescence spectra

CCDC reference: 1570244

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SMART (Bruker, 2001); data reduction: SAINT-Plus (Bruker, 2009); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2010); software used to prepare material for publication: publCIF (Westrip, 2010).

Poly[µ-adipato-κ2O1:O4-µ-adipato-κ4O1,O1':O4,O4'-diaquabis[µ-1,4-bis(pyridin-4-yl)-1,3-butadiene-κ2N:N']dicadmium] top
Crystal data top
[Cd2(C6H8O4)2(C14H12N2)2(H2O)2]Z = 2
Mr = 482.81F(000) = 488
Triclinic, P1Dx = 1.656 Mg m3
a = 8.7119 (17) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.318 (2) ÅCell parameters from 17848 reflections
c = 10.961 (2) Åθ = 2.9–27.5°
α = 83.47 (3)°µ = 1.16 mm1
β = 82.91 (3)°T = 223 K
γ = 84.71 (3)°Block, light yellow
V = 968.3 (3) Å30.27 × 0.25 × 0.22 mm
Data collection top
Bruker D8 goniometer with an APEX CCD detector
diffractometer
4226 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.021
phi and ω scansθmax = 27.5°, θmin = 2.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2008)
h = 1111
Tmin = 0.753, Tmax = 0.782k = 1313
17848 measured reflectionsl = 1214
4429 independent reflections
Refinement top
Refinement on F2Hydrogen site location: mixed
Least-squares matrix: fullH atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.028 w = 1/[σ2(Fo2) + (0.0283P)2 + 1.5803P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.076(Δ/σ)max = 0.001
S = 1.16Δρmax = 1.59 e Å3
4429 reflectionsΔρmin = 0.53 e Å3
262 parametersExtinction correction: SHELXL2014 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.061 (2)
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
xyzUiso*/Ueq
Cd10.74987 (2)0.13373 (2)0.37448 (2)0.02405 (10)
N10.8738 (3)0.0343 (2)0.2647 (2)0.0289 (5)
N20.6341 (3)0.2425 (2)0.5447 (2)0.0286 (5)
O10.5161 (3)0.1143 (3)0.3132 (2)0.0418 (5)
O20.6578 (3)0.1785 (2)0.1403 (2)0.0427 (5)
O30.8479 (3)0.3472 (2)0.3058 (2)0.0436 (5)
O40.9929 (3)0.1970 (2)0.4055 (3)0.0440 (6)
O50.7440 (3)0.0435 (3)0.5344 (2)0.0447 (6)
H1W0.671 (5)0.060 (4)0.581 (4)0.050 (12)*
H2W0.814 (6)0.091 (5)0.555 (4)0.056 (13)*
C10.7978 (4)0.1420 (3)0.2698 (3)0.0390 (7)
H10.70940.15130.32770.047*
C20.8429 (4)0.2399 (3)0.1941 (3)0.0378 (7)
H20.78510.31340.20040.045*
C30.9740 (3)0.2296 (3)0.1084 (2)0.0259 (5)
C41.0532 (3)0.1179 (3)0.1040 (3)0.0296 (6)
H41.14250.10620.04770.036*
C50.9995 (3)0.0242 (3)0.1831 (3)0.0306 (6)
H51.05470.05050.17900.037*
C61.0256 (3)0.3310 (3)0.0256 (3)0.0308 (6)
H61.09980.31090.04220.037*
C70.9738 (4)0.4503 (3)0.0406 (3)0.0323 (6)
H70.89890.47050.10780.039*
C80.7131 (4)0.2372 (3)0.6429 (3)0.0356 (7)
H80.80320.17990.64600.043*
C90.6684 (4)0.3118 (3)0.7393 (3)0.0340 (6)
H90.72770.30480.80620.041*
C100.5353 (3)0.3978 (3)0.7382 (2)0.0256 (5)
C110.4542 (3)0.4028 (3)0.6360 (3)0.0282 (5)
H110.36390.45950.63020.034*
C120.5066 (3)0.3241 (3)0.5430 (3)0.0289 (6)
H120.44940.32850.47510.035*
C130.4815 (4)0.4793 (3)0.8385 (3)0.0317 (6)
H130.40910.55070.82240.038*
C140.5280 (4)0.4593 (3)0.9513 (3)0.0331 (6)
H140.60100.38860.96810.040*
C150.5377 (3)0.1377 (3)0.1951 (3)0.0307 (6)
C160.4053 (4)0.1118 (4)0.1254 (3)0.0463 (8)
H16A0.33690.19230.11570.056*
H16B0.34460.04520.17520.056*
C170.4561 (4)0.0663 (4)0.0015 (3)0.0451 (8)
H17A0.36390.06400.04400.054*
H17B0.52160.13040.04990.054*
C180.9685 (3)0.3119 (3)0.3545 (3)0.0319 (6)
C191.0891 (4)0.4085 (4)0.3573 (3)0.0446 (8)
H19A1.07520.48140.29310.053*
H19B1.19310.36510.33940.053*
C201.0757 (4)0.4612 (4)0.4827 (4)0.0477 (8)
H20A1.08870.38730.54620.057*
H20B1.16080.51690.48290.057*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.02315 (12)0.02481 (12)0.02578 (13)0.00254 (7)0.00112 (7)0.01075 (7)
N10.0311 (12)0.0271 (11)0.0292 (12)0.0027 (9)0.0003 (9)0.0095 (9)
N20.0331 (12)0.0301 (12)0.0231 (11)0.0004 (9)0.0022 (9)0.0085 (9)
O10.0303 (11)0.0687 (16)0.0285 (11)0.0076 (10)0.0038 (9)0.0107 (10)
O20.0360 (12)0.0499 (14)0.0441 (13)0.0160 (10)0.0029 (10)0.0049 (11)
O30.0430 (13)0.0470 (13)0.0445 (13)0.0149 (10)0.0157 (10)0.0006 (10)
O40.0321 (11)0.0340 (12)0.0674 (16)0.0043 (9)0.0086 (11)0.0065 (11)
O50.0370 (13)0.0448 (14)0.0426 (13)0.0085 (11)0.0101 (11)0.0110 (11)
C10.0392 (16)0.0337 (15)0.0435 (17)0.0105 (13)0.0151 (13)0.0167 (13)
C20.0377 (16)0.0311 (15)0.0454 (17)0.0116 (12)0.0101 (13)0.0168 (13)
C30.0286 (13)0.0253 (12)0.0239 (12)0.0023 (10)0.0033 (10)0.0061 (10)
C40.0269 (13)0.0293 (13)0.0308 (14)0.0009 (10)0.0038 (11)0.0041 (11)
C50.0306 (14)0.0255 (13)0.0359 (15)0.0035 (11)0.0006 (11)0.0059 (11)
C60.0336 (14)0.0298 (14)0.0278 (13)0.0024 (11)0.0024 (11)0.0089 (11)
C70.0378 (15)0.0299 (14)0.0286 (14)0.0008 (12)0.0013 (12)0.0098 (12)
C80.0349 (15)0.0411 (16)0.0308 (15)0.0117 (12)0.0070 (12)0.0124 (12)
C90.0346 (15)0.0432 (16)0.0258 (13)0.0061 (12)0.0096 (11)0.0119 (12)
C100.0300 (13)0.0259 (12)0.0207 (12)0.0018 (10)0.0010 (10)0.0058 (10)
C110.0278 (13)0.0313 (13)0.0248 (13)0.0026 (10)0.0022 (10)0.0048 (10)
C120.0313 (14)0.0333 (14)0.0232 (12)0.0020 (11)0.0056 (11)0.0062 (11)
C130.0356 (15)0.0316 (14)0.0272 (14)0.0041 (11)0.0001 (11)0.0094 (11)
C140.0388 (16)0.0335 (15)0.0270 (14)0.0040 (12)0.0017 (12)0.0112 (12)
C150.0286 (14)0.0346 (14)0.0313 (14)0.0036 (11)0.0056 (11)0.0108 (11)
C160.0342 (16)0.070 (2)0.0407 (18)0.0089 (16)0.0119 (14)0.0179 (17)
C170.054 (2)0.055 (2)0.0317 (16)0.0115 (16)0.0181 (15)0.0083 (15)
C180.0315 (14)0.0360 (15)0.0310 (14)0.0104 (12)0.0006 (11)0.0131 (12)
C190.0424 (18)0.0475 (19)0.0488 (19)0.0230 (15)0.0060 (15)0.0098 (15)
C200.052 (2)0.0438 (19)0.055 (2)0.0165 (16)0.0215 (17)0.0114 (16)
Geometric parameters (Å, º) top
Cd1—O12.254 (2)C7—C7i1.439 (5)
Cd1—N12.330 (2)C7—H70.9400
Cd1—O42.347 (2)C8—C91.374 (4)
Cd1—N22.358 (2)C8—H80.9400
Cd1—O52.384 (3)C9—C101.394 (4)
Cd1—O32.441 (2)C9—H90.9400
Cd1—C182.740 (3)C10—C111.390 (4)
Cd1—O22.760 (3)C10—C131.466 (4)
Cd1—C152.855 (3)C11—C121.383 (4)
N1—C51.329 (4)C11—H110.9400
N1—C11.338 (4)C12—H120.9400
N2—C121.331 (4)C13—C141.336 (4)
N2—C81.341 (4)C13—H130.9400
O1—C151.284 (4)C14—C14ii1.443 (5)
O2—C151.226 (4)C14—H140.9400
O3—C181.243 (4)C15—C161.519 (4)
O4—C181.263 (4)C16—C171.519 (5)
O5—H1W0.79 (5)C16—H16A0.9800
O5—H2W0.79 (5)C16—H16B0.9800
C1—C21.378 (4)C17—C17iii1.504 (8)
C1—H10.9400C17—H17A0.9800
C2—C31.391 (4)C17—H17B0.9800
C2—H20.9400C18—C191.519 (4)
C3—C41.390 (4)C19—C201.522 (5)
C3—C61.466 (4)C19—H19A0.9800
C4—C51.384 (4)C19—H19B0.9800
C4—H40.9400C20—C20iv1.509 (8)
C5—H50.9400C20—H20A0.9800
C6—C71.336 (4)C20—H20B0.9800
C6—H60.9400
O1—Cd1—N194.00 (9)C7—C6—C3124.1 (3)
O1—Cd1—O4166.83 (9)C7—C6—H6118.0
N1—Cd1—O489.50 (9)C3—C6—H6118.0
O1—Cd1—N291.39 (9)C6—C7—C7i123.6 (4)
N1—Cd1—N2159.02 (9)C6—C7—H7118.2
O4—Cd1—N289.82 (9)C7i—C7—H7118.2
O1—Cd1—O597.47 (10)N2—C8—C9123.0 (3)
N1—Cd1—O579.87 (9)N2—C8—H8118.5
O4—Cd1—O595.64 (10)C9—C8—H8118.5
N2—Cd1—O579.34 (9)C8—C9—C10120.1 (3)
O1—Cd1—O3112.85 (9)C8—C9—H9119.9
N1—Cd1—O3113.71 (9)C10—C9—H9119.9
O4—Cd1—O354.34 (8)C11—C10—C9116.5 (2)
N2—Cd1—O382.51 (9)C11—C10—C13120.9 (3)
O5—Cd1—O3144.87 (9)C9—C10—C13122.6 (3)
O1—Cd1—C18139.81 (10)C12—C11—C10119.8 (3)
N1—Cd1—C18103.66 (9)C12—C11—H11120.1
O4—Cd1—C1827.39 (9)C10—C11—H11120.1
N2—Cd1—C1884.79 (9)N2—C12—C11123.3 (3)
O5—Cd1—C18120.83 (10)N2—C12—H12118.4
O3—Cd1—C1826.97 (9)C11—C12—H12118.4
O1—Cd1—O250.86 (8)C14—C13—C10124.6 (3)
N1—Cd1—O273.59 (9)C14—C13—H13117.7
O4—Cd1—O2118.65 (9)C10—C13—H13117.7
N2—Cd1—O2124.47 (8)C13—C14—C14ii123.4 (4)
O5—Cd1—O2135.60 (9)C13—C14—H14118.3
O3—Cd1—O279.22 (8)C14ii—C14—H14118.3
C18—Cd1—O299.90 (8)O2—C15—O1122.5 (3)
O1—Cd1—C1525.84 (8)O2—C15—C16121.2 (3)
N1—Cd1—C1581.41 (9)O1—C15—C16116.3 (3)
O4—Cd1—C15143.64 (9)O2—C15—Cd173.07 (17)
N2—Cd1—C15110.68 (9)O1—C15—Cd149.93 (14)
O5—Cd1—C15116.96 (10)C16—C15—Cd1164.4 (2)
O3—Cd1—C1597.52 (9)C15—C16—C17114.5 (3)
C18—Cd1—C15122.00 (9)C15—C16—H16A108.6
O2—Cd1—C1525.14 (8)C17—C16—H16A108.6
C5—N1—C1117.3 (2)C15—C16—H16B108.6
C5—N1—Cd1125.39 (19)C17—C16—H16B108.6
C1—N1—Cd1116.40 (19)H16A—C16—H16B107.6
C12—N2—C8117.3 (2)C17iii—C17—C16114.1 (4)
C12—N2—Cd1124.09 (18)C17iii—C17—H17A108.7
C8—N2—Cd1117.91 (19)C16—C17—H17A108.7
C15—O1—Cd1104.22 (18)C17iii—C17—H17B108.7
C15—O2—Cd181.79 (18)C16—C17—H17B108.7
C18—O3—Cd190.03 (19)H17A—C17—H17B107.6
C18—O4—Cd193.88 (18)O3—C18—O4121.6 (3)
Cd1—O5—H1W125 (3)O3—C18—C19120.3 (3)
Cd1—O5—H2W128 (3)O4—C18—C19118.1 (3)
H1W—O5—H2W107 (5)O3—C18—Cd163.00 (16)
N1—C1—C2123.1 (3)O4—C18—Cd158.73 (15)
N1—C1—H1118.5C19—C18—Cd1174.3 (2)
C2—C1—H1118.5C18—C19—C20111.3 (3)
C1—C2—C3119.9 (3)C18—C19—H19A109.4
C1—C2—H2120.1C20—C19—H19A109.4
C3—C2—H2120.1C18—C19—H19B109.4
C4—C3—C2116.8 (2)C20—C19—H19B109.4
C4—C3—C6121.5 (3)H19A—C19—H19B108.0
C2—C3—C6121.7 (3)C20iv—C20—C19114.6 (4)
C5—C4—C3119.5 (3)C20iv—C20—H20A108.6
C5—C4—H4120.3C19—C20—H20A108.6
C3—C4—H4120.3C20iv—C20—H20B108.6
N1—C5—C4123.4 (3)C19—C20—H20B108.6
N1—C5—H5118.3H20A—C20—H20B107.6
C4—C5—H5118.3
Symmetry codes: (i) x+2, y1, z; (ii) x+1, y+1, z+2; (iii) x+1, y, z; (iv) x+2, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H1W···O1v0.79 (5)1.96 (5)2.748 (4)175 (5)
O5—H2W···O4vi0.79 (5)1.98 (5)2.768 (4)173 (5)
Symmetry codes: (v) x+1, y, z+1; (vi) x+2, y, z+1.
 

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