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The title coordination polymer, poly[bis­[μ3-4-(3,2′:6′,3′′-terpyridin-4′-yl)benzoato]cadmium(II)], [Cd(C22H14N3O2)2]n or [Cd(3-cptpy)2]n, (I), has been synthesized solvothermally and characterized by IR spectroscopy, thermogravimetric analysis, and single-crystal and powder X-ray diffraction. The structure is composed of 3-cptpy ligands bridging Cd atoms, with each Cd atom coordinated by six ligands and each ligand coordinating to three Cd atoms. Each Cd atom is in a slightly distorted trans-N2O4 octa­hedral environment, forming a two-dimensional layer structure with a (3,6)-connected topology. Layers are linked to each other by π–π stacking, resulting in a three-dimensional supra­molecular framework. The strong luminescence and good thermal stability of (I) indicate that it can potentially be used as a luminescence sensor. The compound also shows a highly selective and sensitive response to 2,4,6-tri­nitro­phenol through the luminescence quenching effect.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229619004248/cu3138sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229619004248/cu3138Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229619004248/cu3138sup3.pdf
Supplementary figures S1-S7

CCDC reference: 1906400

Computing details top

Data collection: APEX2 (Bruker, 2012); cell refinement: APEX2 (Bruker, 2012); data reduction: APEX2 (Bruker, 2012); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015); molecular graphics: SHELXL2016 (Sheldrick, 2015); software used to prepare material for publication: publCIF (Westrip, 2010).

Poly[bis[µ3-4-(3,2':6',3''-terpyridin-4'-yl)benzoato]cadmium(II)] top
Crystal data top
[Cd(C22H14N3O2)2]Z = 1
Mr = 817.12F(000) = 414
Triclinic, P1Dx = 1.639 Mg m3
a = 5.0100 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 9.5930 (4) ÅCell parameters from 8991 reflections
c = 17.3488 (8) Åθ = 3.1–26.4°
α = 91.192 (2)°µ = 0.72 mm1
β = 96.049 (2)°T = 150 K
γ = 92.858 (2)°PILL, colorless
V = 827.84 (6) Å30.20 × 0.15 × 0.10 mm
Data collection top
Bruker D8 VENTURE
diffractometer
3329 reflections with I > 2σ(I)
ω scansRint = 0.020
Absorption correction: multi-scan
(SADABS; Bruker, 2012)
θmax = 26.4°, θmin = 3.1°
Tmin = 0.660, Tmax = 0.745h = 66
5557 measured reflectionsk = 1111
3379 independent reflectionsl = 2121
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.023H-atom parameters constrained
wR(F2) = 0.060 w = 1/[σ2(Fo2) + (0.0244P)2 + 0.2706P]
where P = (Fo2 + 2Fc2)/3
S = 1.12(Δ/σ)max < 0.001
3379 reflectionsΔρmax = 0.56 e Å3
335 parametersΔρmin = 0.81 e Å3
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*/UeqOcc. (<1)
Cd10.5000000.0000001.0000000.01297 (7)
C11.0308 (3)0.21232 (17)0.96914 (9)0.0136 (3)
O21.2054 (2)0.17352 (14)1.02003 (7)0.0209 (3)
N22.3320 (3)0.98504 (15)0.86811 (8)0.0153 (3)
C21.1168 (3)0.32288 (17)0.91458 (10)0.0132 (3)
N31.6941 (3)0.79443 (16)0.66123 (8)0.0163 (3)
C71.3176 (4)0.51630 (19)0.81297 (10)0.0174 (3)
C81.4414 (3)0.61444 (19)0.76015 (10)0.0173 (3)
C91.6566 (3)0.70589 (19)0.78812 (10)0.0170 (3)
H91.7183090.7090150.8406300.020*
C101.7787 (3)0.79231 (18)0.73735 (10)0.0148 (3)
C111.4822 (3)0.70966 (19)0.63446 (10)0.0168 (3)
C121.3528 (3)0.61729 (19)0.68101 (10)0.0192 (4)
H121.2095570.5583880.6597900.023*
C132.0141 (3)0.88879 (17)0.76415 (10)0.0129 (3)
C142.1191 (3)0.90117 (18)0.84179 (10)0.0154 (3)
H142.0359850.8478560.8775050.018*
C152.1398 (4)0.9695 (2)0.71168 (10)0.0242 (4)
H152.0641830.9772750.6607520.029*
C3A0.9619 (7)0.3645 (4)0.8521 (2)0.0158 (8)0.499 (3)
H3A0.7822490.3331010.8439290.019*0.499 (3)
C4A1.0682 (8)0.4544 (4)0.7994 (2)0.0160 (8)0.499 (3)
H4A0.9638270.4723020.7534660.019*0.499 (3)
C5A1.3856 (7)0.3762 (4)0.93061 (19)0.0153 (8)0.499 (3)
H5A1.4912250.3494450.9746140.018*0.499 (3)
C6A1.4893 (7)0.4686 (4)0.8798 (2)0.0162 (8)0.499 (3)
H6A1.6685910.5006060.8882150.019*0.499 (3)
C3B1.0847 (7)0.2982 (4)0.8326 (2)0.0142 (7)0.501 (3)
H3B0.9979620.2157430.8118420.017*0.501 (3)
C4B1.1833 (8)0.3975 (4)0.78363 (19)0.0150 (7)0.501 (3)
H4B1.1564070.3819480.7302200.018*0.501 (3)
C5B1.2208 (6)0.4520 (4)0.94186 (19)0.0139 (7)0.501 (3)
H5B1.2303280.4726510.9947230.017*0.501 (3)
C6B1.3123 (6)0.5528 (3)0.89306 (19)0.0138 (7)0.501 (3)
H6B1.3686930.6419340.9121070.017*0.501 (3)
N1A1.1884 (7)0.6239 (4)0.42824 (19)0.0272 (8)0.500 (3)
C18A1.3875 (3)0.72172 (19)0.55086 (10)0.0176 (3)0.500 (3)
C19A1.2790 (8)0.6140 (4)0.5036 (2)0.0232 (8)0.500 (3)
H19A1.2663200.5263480.5252070.028*0.500 (3)
C20A1.4116 (7)0.8560 (4)0.5169 (2)0.0219 (8)0.500 (3)
H20A1.4883230.9331010.5460270.026*0.500 (3)
C21A1.3171 (8)0.8679 (4)0.4393 (2)0.0250 (9)0.500 (3)
H21A1.3178500.9540520.4156940.030*0.500 (3)
C22A1.2189 (5)0.7436 (3)0.39717 (11)0.0326 (5)0.500 (3)
H22A1.1740020.7492580.3439680.039*0.500 (3)
N1B1.4920 (7)0.7617 (4)0.42099 (19)0.0300 (8)0.500 (3)
C18B1.3875 (3)0.72172 (19)0.55086 (10)0.0176 (3)0.500 (3)
C19B1.5638 (7)0.7522 (4)0.4972 (2)0.0217 (8)0.500 (3)
H19B1.7448610.7672230.5150470.026*0.500 (3)
C20B1.1147 (8)0.6932 (5)0.5237 (2)0.0252 (9)0.500 (3)
H20B0.9893800.6693990.5577440.030*0.500 (3)
C21B1.0381 (8)0.7015 (5)0.4448 (2)0.0317 (10)0.500 (3)
H21B0.8616290.6778390.4248750.038*0.500 (3)
C22B1.2189 (5)0.7436 (3)0.39717 (11)0.0326 (5)0.500 (3)
H22B1.1585230.7614990.3459630.039*0.500 (3)
C16A2.3879 (12)1.0403 (6)0.7390 (4)0.0169 (9)0.538 (6)
H16A2.4921991.0828830.7039690.020*0.538 (6)
C17A2.4762 (14)1.0464 (7)0.8175 (5)0.0151 (10)0.538 (6)
H17A2.6382921.0941690.8348050.018*0.538 (6)
C16B2.3185 (14)1.0787 (7)0.7379 (5)0.0169 (9)0.462 (6)
H16B2.3719491.1474430.7048850.020*0.462 (6)
C17B2.4140 (16)1.0810 (9)0.8156 (6)0.0151 (10)0.462 (6)
H17B2.5411931.1511420.8337820.018*0.462 (6)
O1A0.8147 (16)0.1497 (8)0.9547 (5)0.0170 (9)0.483 (9)
O1B0.7699 (15)0.1864 (7)0.9647 (4)0.0170 (9)0.517 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.01142 (9)0.01436 (10)0.01246 (10)0.00200 (6)0.00156 (6)0.00505 (6)
C10.0174 (8)0.0099 (8)0.0126 (7)0.0019 (6)0.0004 (6)0.0001 (6)
O20.0210 (6)0.0304 (7)0.0123 (6)0.0094 (5)0.0011 (5)0.0071 (5)
N20.0163 (7)0.0148 (7)0.0143 (7)0.0039 (5)0.0013 (5)0.0019 (6)
C20.0118 (7)0.0131 (8)0.0143 (8)0.0002 (6)0.0005 (6)0.0017 (6)
N30.0159 (7)0.0192 (7)0.0127 (7)0.0037 (6)0.0017 (5)0.0044 (6)
C70.0203 (8)0.0178 (9)0.0125 (8)0.0070 (7)0.0017 (6)0.0026 (7)
C80.0184 (8)0.0189 (9)0.0133 (8)0.0057 (7)0.0019 (6)0.0024 (7)
C90.0175 (8)0.0194 (9)0.0127 (8)0.0040 (7)0.0034 (6)0.0038 (7)
C100.0135 (7)0.0163 (8)0.0134 (8)0.0012 (6)0.0036 (6)0.0023 (6)
C110.0162 (8)0.0212 (9)0.0118 (8)0.0030 (6)0.0022 (6)0.0014 (7)
C120.0176 (8)0.0243 (9)0.0136 (8)0.0088 (7)0.0034 (6)0.0021 (7)
C130.0129 (7)0.0115 (8)0.0137 (8)0.0005 (6)0.0002 (6)0.0005 (6)
C140.0142 (7)0.0161 (8)0.0148 (8)0.0036 (6)0.0016 (6)0.0037 (6)
C150.0310 (10)0.0283 (10)0.0118 (8)0.0139 (8)0.0017 (7)0.0011 (7)
C3A0.0121 (15)0.0139 (17)0.0205 (17)0.0034 (14)0.0014 (13)0.0019 (14)
C4A0.0169 (17)0.0177 (18)0.0124 (16)0.0005 (15)0.0045 (14)0.0048 (14)
C5A0.0171 (16)0.0151 (17)0.0128 (15)0.0002 (13)0.0018 (12)0.0020 (13)
C6A0.0124 (15)0.0183 (17)0.0174 (16)0.0006 (12)0.0011 (12)0.0033 (14)
C3B0.0142 (15)0.0108 (16)0.0160 (16)0.0047 (13)0.0030 (13)0.0001 (13)
C4B0.0163 (16)0.0188 (18)0.0092 (15)0.0011 (15)0.0012 (13)0.0013 (14)
C5B0.0141 (15)0.0161 (17)0.0109 (15)0.0019 (12)0.0009 (12)0.0023 (13)
C6B0.0149 (15)0.0107 (15)0.0143 (16)0.0037 (12)0.0030 (12)0.0011 (13)
N1A0.0313 (18)0.033 (2)0.0146 (15)0.0125 (15)0.0065 (13)0.0009 (14)
C18A0.0181 (8)0.0221 (9)0.0116 (8)0.0024 (7)0.0022 (6)0.0030 (7)
C19A0.0249 (18)0.025 (2)0.0172 (17)0.0096 (15)0.0035 (14)0.0055 (15)
C20A0.0247 (18)0.0242 (19)0.0155 (17)0.0031 (14)0.0022 (14)0.0017 (14)
C21A0.031 (2)0.026 (2)0.0162 (18)0.0017 (15)0.0042 (15)0.0078 (15)
C22A0.0393 (11)0.0435 (13)0.0124 (9)0.0080 (10)0.0066 (8)0.0068 (9)
N1B0.0369 (19)0.038 (2)0.0136 (15)0.0095 (15)0.0014 (14)0.0066 (14)
C18B0.0181 (8)0.0221 (9)0.0116 (8)0.0024 (7)0.0022 (6)0.0030 (7)
C19B0.0225 (17)0.024 (2)0.0169 (17)0.0061 (14)0.0014 (14)0.0049 (15)
C20B0.0204 (18)0.040 (2)0.0145 (17)0.0027 (16)0.0013 (14)0.0012 (16)
C21B0.0249 (19)0.048 (3)0.0193 (19)0.0013 (19)0.0092 (16)0.0009 (18)
C22B0.0393 (11)0.0435 (13)0.0124 (9)0.0080 (10)0.0066 (8)0.0068 (9)
C16A0.020 (3)0.015 (3)0.0161 (10)0.0036 (15)0.0043 (18)0.0019 (19)
C17A0.011 (3)0.017 (3)0.0169 (10)0.0023 (17)0.001 (2)0.002 (2)
C16B0.020 (3)0.015 (3)0.0161 (10)0.0036 (15)0.0043 (18)0.0019 (19)
C17B0.011 (3)0.017 (3)0.0169 (10)0.0023 (17)0.001 (2)0.002 (2)
O1A0.013 (2)0.017 (3)0.0204 (19)0.0044 (16)0.0011 (13)0.0058 (19)
O1B0.013 (2)0.017 (3)0.0204 (19)0.0044 (16)0.0011 (13)0.0058 (19)
Geometric parameters (Å, º) top
Cd1—O1A2.292 (9)C15—H150.9300
Cd1—O1Ai2.292 (9)C3A—C4A1.398 (5)
Cd1—O1Bi2.320 (8)C3A—H3A0.9300
Cd1—O1B2.320 (8)C4A—H4A0.9300
Cd1—O2ii2.3236 (12)C5A—C6A1.384 (5)
Cd1—O2iii2.3236 (12)C5A—H5A0.9300
Cd1—N2iv2.3522 (14)C6A—H6A0.9300
Cd1—N2v2.3522 (14)C3B—C4B1.396 (5)
C1—O1A1.211 (9)C3B—H3B0.9300
C1—O21.252 (2)C4B—H4B0.9300
C1—O1B1.312 (8)C5B—C6B1.390 (4)
C1—C21.513 (2)C5B—H5B0.9300
N2—C17A1.324 (8)C6B—H6B0.9300
N2—C141.338 (2)N1A—C22A1.288 (4)
N2—C17B1.386 (10)N1A—C19A1.345 (5)
C2—C3A1.344 (4)C18A—C19A1.360 (4)
C2—C5B1.374 (4)C18A—C20A1.433 (4)
C2—C5A1.414 (4)C19A—H19A0.9300
C2—C3B1.427 (4)C20A—C21A1.388 (5)
N3—C111.341 (2)C20A—H20A0.9300
N3—C101.345 (2)C21A—C22A1.424 (5)
C7—C4A1.352 (4)C21A—H21A0.9300
C7—C4B1.356 (4)C22A—H22A0.9300
C7—C6B1.429 (4)N1B—C19B1.340 (5)
C7—C6A1.465 (4)N1B—C22B1.388 (4)
C7—C81.486 (2)C18B—C19B1.375 (4)
C8—C91.395 (2)C18B—C20B1.410 (4)
C8—C121.399 (2)C19B—H19B0.9300
C9—C101.389 (2)C20B—C21B1.387 (5)
C9—H90.9300C20B—H20B0.9300
C10—C131.490 (2)C21B—C22B1.342 (5)
C11—C121.393 (2)C21B—H21B0.9300
C11—C18B1.486 (2)C22B—H22B0.9300
C11—C18A1.486 (2)C16A—C17A1.387 (10)
C12—H120.9300C16A—H16A0.9300
C13—C151.388 (2)C17A—H17A0.9300
C13—C141.394 (2)C16B—C17B1.381 (13)
C14—H140.9300C16B—H16B0.9300
C15—C16B1.381 (8)C17B—H17B0.9300
C15—C16A1.417 (7)
O1A—Cd1—O1Ai180.0C2—C3A—H3A119.7
O1A—Cd1—O1Bi168.40 (16)C4A—C3A—H3A119.7
O1Ai—Cd1—O1Bi11.60 (16)C7—C4A—C3A122.2 (3)
O1Bi—Cd1—O1B180.0 (4)C7—C4A—H4A118.9
O1A—Cd1—O2ii94.29 (16)C3A—C4A—H4A118.9
O1Ai—Cd1—O2ii85.71 (17)C6A—C5A—C2119.0 (3)
O1A—Cd1—O2iii85.71 (16)C6A—C5A—H5A120.5
O1Ai—Cd1—O2iii94.29 (17)C2—C5A—H5A120.5
O2ii—Cd1—O2iii180.0C5A—C6A—C7120.2 (3)
O1A—Cd1—N2iv82.4 (2)C5A—C6A—H6A119.9
O1Ai—Cd1—N2iv97.6 (2)C7—C6A—H6A119.9
O2ii—Cd1—N2iv89.77 (5)C4B—C3B—C2120.1 (3)
O2iii—Cd1—N2iv90.23 (5)C4B—C3B—H3B119.9
O1A—Cd1—N2v97.6 (2)C2—C3B—H3B119.9
O1Ai—Cd1—N2v82.4 (2)C7—C4B—C3B120.8 (3)
O2ii—Cd1—N2v90.23 (5)C7—C4B—H4B119.6
O2iii—Cd1—N2v89.77 (5)C3B—C4B—H4B119.6
N2iv—Cd1—N2v180.0C2—C5B—C6B122.2 (3)
O1A—C1—O2122.1 (4)C2—C5B—H5B118.9
O2—C1—O1B127.5 (4)C6B—C5B—H5B118.9
O1A—C1—C2119.3 (4)C5B—C6B—C7118.5 (3)
O2—C1—C2117.40 (15)C5B—C6B—H6B120.7
O1B—C1—C2114.0 (3)C7—C6B—H6B120.7
C1—O2—Cd1vi124.00 (11)C22A—N1A—C19A117.4 (3)
C17A—N2—C14118.9 (4)C19A—C18A—C20A117.1 (3)
C14—N2—C17B115.1 (4)C19A—C18A—C11124.8 (2)
C17A—N2—Cd1vii118.1 (4)C20A—C18A—C11118.2 (2)
C14—N2—Cd1vii122.24 (11)N1A—C19A—C18A125.4 (3)
C3A—C2—C5A120.5 (2)N1A—C19A—H19A117.3
C5B—C2—C3B117.6 (2)C18A—C19A—H19A117.3
C3A—C2—C1124.4 (2)C21A—C20A—C18A118.1 (3)
C5B—C2—C1121.30 (19)C21A—C20A—H20A120.9
C5A—C2—C1114.96 (19)C18A—C20A—H20A120.9
C3B—C2—C1121.05 (19)C20A—C21A—C22A117.7 (3)
C11—N3—C10117.76 (14)C20A—C21A—H21A121.2
C4B—C7—C6B119.2 (2)C22A—C21A—H21A121.2
C4A—C7—C6A116.8 (2)N1A—C22A—C21A124.0 (3)
C4A—C7—C8125.0 (2)N1A—C22A—H22A118.0
C4B—C7—C8119.8 (2)C21A—C22A—H22A118.0
C6B—C7—C8120.70 (19)C19B—N1B—C22B116.0 (3)
C6A—C7—C8117.67 (19)C19B—C18B—C20B118.0 (2)
C9—C8—C12117.45 (15)C19B—C18B—C11121.4 (2)
C9—C8—C7120.49 (15)C20B—C18B—C11120.5 (2)
C12—C8—C7122.04 (16)N1B—C19B—C18B124.3 (3)
C10—C9—C8119.85 (16)N1B—C19B—H19B117.8
C10—C9—H9120.1C18B—C19B—H19B117.8
C8—C9—H9120.1C21B—C20B—C18B118.2 (3)
N3—C10—C9122.61 (16)C21B—C20B—H20B120.9
N3—C10—C13115.61 (15)C18B—C20B—H20B120.9
C9—C10—C13121.77 (15)C22B—C21B—C20B120.0 (3)
N3—C11—C12123.25 (16)C22B—C21B—H21B120.0
N3—C11—C18B115.60 (15)C20B—C21B—H21B120.0
C12—C11—C18B121.14 (16)C21B—C22B—N1B122.9 (3)
N3—C11—C18A115.60 (15)C21B—C22B—H22B118.6
C12—C11—C18A121.14 (16)N1B—C22B—H22B118.6
C11—C12—C8119.03 (16)C17A—C16A—C15120.5 (5)
C11—C12—H12120.5C17A—C16A—H16A119.8
C8—C12—H12120.5C15—C16A—H16A119.8
C15—C13—C14117.22 (16)N2—C17A—C16A120.6 (6)
C15—C13—C10120.64 (15)N2—C17A—H17A119.7
C14—C13—C10122.14 (15)C16A—C17A—H17A119.7
N2—C14—C13124.04 (15)C15—C16B—C17B116.8 (7)
N2—C14—H14118.0C15—C16B—H16B121.6
C13—C14—H14118.0C17B—C16B—H16B121.6
C16B—C15—C13120.1 (4)C16B—C17B—N2124.1 (8)
C13—C15—C16A117.3 (3)C16B—C17B—H17B118.0
C16B—C15—H15114.2N2—C17B—H17B118.0
C13—C15—H15121.4C1—O1A—Cd1145.8 (6)
C16A—C15—H15121.3C1—O1B—Cd1133.7 (4)
C2—C3A—C4A120.6 (3)
Symmetry codes: (i) x+1, y, z+2; (ii) x1, y, z; (iii) x+2, y, z+2; (iv) x2, y1, z; (v) x+3, y+1, z+2; (vi) x+1, y, z; (vii) x+2, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C21B—H21B···N1Bii0.932.052.814 (6)138
C14—H14···O2v0.932.263.111 (2)152
Symmetry codes: (ii) x1, y, z; (v) x+3, y+1, z+2.
 

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