Download citation
Download citation
link to html
Metal–organic frameworks (MOFs) have attracted much inter­est in the fields of gas separation and storage, catalysis synthesis, nonlinear optics, sensors, luminescence, magnetism, photocatalysis gradation and crystal engineering because of their diverse properties and intriguing topologies. A Cu–MOF, namely poly[[(μ2-succinato-κ2O:O′){μ2-tris­[4-(1,2,4-triazol-1-yl)phen­yl]amine-κ2N:N′}copper(II)] dihydrate], {[Cu(C4H4O4)(C24H18N10)]·2H2O}n or {[Cu(suc)(ttpa)]·2H2O}n, (I), was synthesized by the hydro­thermal method using tris­[4-(1,2,4-triazol-1-yl)phen­yl]amine (ttpa) and succinate (suc2−), and characterized by IR, powder X-ray diffraction (PXRD), luminescence, optical band gap and valence band X-ray photoelectron spectroscopy (VB XPS). Cu–MOF (I) shows a twofold inter­penetrating 4-coordinated three-dimensional CdSO4 topology with point symbol {65·8}. It presents good photocatalytic degradation of methyl­ene blue (MB) and rhodamine B (RhB) under visible-light irradiation. A photocatalytic mechanism was proposed and confirmed.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229619009306/sk3732sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229619009306/sk3732Isup2.hkl
Contains datablock I

mol

MDL mol file https://doi.org/10.1107/S2053229619009306/sk3732Isup3.mol
Supplementary material

CCDC reference: 1937130

Computing details top

Data collection: APEX3 (Bruker, 2010); cell refinement: APEX3 (Bruker, 2010); data reduction: APEX3 (Bruker, 2010); program(s) used to solve structure: SHELXL2016 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2010); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009; Bourhis et al., 2015).

Poly[[(µ2-succinato-κ2O:O'){µ2-tris[4-(1,2,4-triazol-1-yl)phenyl]amine-κ2N:N'}copper(II)] dihydrate] top
Crystal data top
[Cu(C4H4O4)(C24H18N10)]·2H2OF(000) = 1364
Mr = 662.13Dx = 1.523 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 9.2402 (4) ÅCell parameters from 9748 reflections
b = 25.5312 (11) Åθ = 2.3–27.5°
c = 12.5727 (6) ŵ = 0.82 mm1
β = 103.173 (2)°T = 150 K
V = 2888.0 (2) Å3Block, blue
Z = 40.50 × 0.40 × 0.10 mm
Data collection top
Bruker D8 Quest
diffractometer
5455 reflections with I > 2σ(I)
ω scansRint = 0.045
Absorption correction: multi-scan
(SADABS; Bruker, 2010)
θmax = 27.6°, θmin = 2.3°
Tmin = 0.624, Tmax = 0.746h = 1212
77240 measured reflectionsk = 3333
6658 independent reflectionsl = 1616
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)] = 0.035 w = 1/[σ2(Fo2) + (0.0427P)2 + 2.1642P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.092(Δ/σ)max < 0.001
S = 1.03Δρmax = 0.46 e Å3
6658 reflectionsΔρmin = 0.56 e Å3
422 parametersExtinction correction: SHELXL-2016/6 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
4 restraintsExtinction coefficient: 0.0076 (6)
Primary atom site location: iterative
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
Cu11.0000000.5000001.0000000.01882 (9)
Cu20.5000000.5000000.5000000.02253 (10)
O10.94300 (16)0.55864 (6)0.82264 (12)0.0329 (3)
O21.05308 (14)0.48187 (5)0.86144 (10)0.0233 (3)
O30.77361 (17)0.47416 (6)0.61660 (13)0.0369 (4)
O40.68498 (16)0.53794 (6)0.50076 (11)0.0314 (3)
N10.80187 (16)0.46784 (6)0.95003 (13)0.0227 (3)
N20.55976 (18)0.44959 (7)0.92691 (13)0.0283 (4)
N30.61958 (16)0.42306 (6)0.85378 (12)0.0211 (3)
N40.02373 (18)0.04497 (6)0.87395 (13)0.0250 (3)
N50.0361 (2)0.07619 (7)0.70229 (13)0.0333 (4)
N60.08336 (16)0.10147 (6)0.76264 (12)0.0210 (3)
N70.1527 (2)0.32683 (8)0.05164 (14)0.0364 (4)
N80.2526 (2)0.25752 (7)0.04845 (14)0.0340 (4)
N90.22165 (18)0.29617 (6)0.11356 (13)0.0254 (3)
N100.32142 (18)0.26984 (6)0.56828 (12)0.0228 (3)
C10.7630 (2)0.43412 (7)0.86818 (15)0.0237 (4)
H10.8276190.4201200.8264750.028*
C20.6738 (2)0.47598 (8)0.98344 (16)0.0285 (4)
H20.6672740.4986191.0421360.034*
C30.5874 (2)0.37418 (7)0.68510 (15)0.0218 (4)
H30.6713400.3915810.6700350.026*
C40.53506 (19)0.38740 (7)0.77629 (14)0.0199 (4)
C50.4062 (2)0.36572 (8)0.79523 (15)0.0256 (4)
H50.3688310.3764030.8562380.031*
C60.3326 (2)0.32814 (8)0.72353 (15)0.0249 (4)
H60.2419000.3138410.7338210.030*
C70.39018 (19)0.31115 (7)0.63683 (14)0.0197 (4)
C80.5160 (2)0.33544 (7)0.61643 (14)0.0218 (4)
H80.5527980.3252700.5548590.026*
C90.1629 (2)0.33709 (8)0.05288 (16)0.0302 (4)
H90.1329350.3688940.0806590.036*
C100.2087 (3)0.27795 (9)0.04914 (17)0.0374 (5)
H100.2157810.2596480.1135510.045*
C110.2511 (2)0.28968 (8)0.22965 (14)0.0223 (4)
C120.2359 (2)0.33199 (7)0.29534 (15)0.0276 (4)
H120.2102600.3655120.2638970.033*
C130.2585 (2)0.32502 (7)0.40717 (15)0.0270 (4)
H130.2480890.3539210.4524310.032*
C140.29633 (19)0.27606 (7)0.45372 (14)0.0201 (4)
C150.3128 (2)0.23421 (7)0.38691 (15)0.0241 (4)
H150.3398350.2007430.4182110.029*
C160.2901 (2)0.24087 (7)0.27517 (16)0.0253 (4)
H160.3012100.2120730.2298450.030*
C170.1181 (2)0.08306 (7)0.86503 (15)0.0229 (4)
H170.1971580.0952290.9218470.027*
C180.0689 (2)0.04272 (8)0.77293 (16)0.0329 (5)
H180.1501610.0190470.7549720.039*
C190.1499 (2)0.14315 (7)0.71261 (14)0.0201 (4)
C200.0752 (2)0.16070 (8)0.61071 (15)0.0257 (4)
H200.0147330.1443430.5741700.031*
C210.1322 (2)0.20221 (8)0.56217 (15)0.0260 (4)
H210.0805280.2145180.4925500.031*
C220.2651 (2)0.22605 (7)0.61488 (14)0.0202 (4)
C230.3412 (2)0.20623 (7)0.71536 (15)0.0223 (4)
H230.4341110.2211060.7504120.027*
C240.2837 (2)0.16509 (7)0.76517 (14)0.0228 (4)
H240.3355470.1522500.8342930.027*
C251.0103 (2)0.52075 (8)0.79691 (15)0.0237 (4)
C261.0526 (2)0.51815 (9)0.68682 (17)0.0312 (4)
H26A1.1499120.5355770.6930900.037*
H26B1.0640730.4809860.6678460.037*
C270.9389 (2)0.54387 (8)0.59512 (16)0.0285 (4)
H27A0.9234960.5805220.6157290.034*
H27B0.9787200.5446760.5284040.034*
C280.7900 (2)0.51567 (8)0.56976 (16)0.0264 (4)
O51.00355 (18)0.38122 (6)0.75601 (13)0.0341 (3)
H5A1.030 (3)0.4118 (7)0.772 (2)0.041*
H5B1.048 (3)0.3629 (9)0.8094 (17)0.041*
O60.8782 (2)0.35081 (8)0.53560 (14)0.0523 (5)
H6A0.929 (3)0.3617 (12)0.5931 (18)0.063*
H6B0.866 (3)0.3192 (7)0.545 (3)0.063*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.01654 (15)0.01973 (16)0.01887 (16)0.00192 (11)0.00132 (11)0.00571 (12)
Cu20.02773 (18)0.02095 (17)0.02073 (17)0.00054 (13)0.00932 (13)0.00630 (12)
O10.0401 (8)0.0282 (7)0.0312 (8)0.0049 (6)0.0098 (6)0.0023 (6)
O20.0229 (6)0.0260 (7)0.0199 (6)0.0020 (5)0.0029 (5)0.0044 (5)
O30.0444 (9)0.0275 (8)0.0423 (9)0.0093 (7)0.0170 (7)0.0005 (6)
O40.0331 (8)0.0337 (8)0.0288 (7)0.0041 (6)0.0098 (6)0.0033 (6)
N10.0197 (7)0.0236 (8)0.0244 (8)0.0022 (6)0.0043 (6)0.0072 (6)
N20.0244 (8)0.0318 (9)0.0298 (9)0.0056 (7)0.0085 (7)0.0141 (7)
N30.0172 (7)0.0217 (7)0.0245 (8)0.0035 (6)0.0053 (6)0.0058 (6)
N40.0312 (8)0.0226 (8)0.0231 (8)0.0025 (6)0.0104 (7)0.0048 (6)
N50.0441 (10)0.0325 (9)0.0217 (8)0.0175 (8)0.0039 (7)0.0006 (7)
N60.0247 (8)0.0203 (7)0.0191 (7)0.0032 (6)0.0073 (6)0.0024 (6)
N70.0469 (11)0.0411 (11)0.0206 (8)0.0018 (9)0.0068 (7)0.0036 (7)
N80.0512 (11)0.0327 (10)0.0207 (9)0.0024 (8)0.0134 (8)0.0020 (7)
N90.0309 (8)0.0234 (8)0.0233 (8)0.0025 (7)0.0093 (6)0.0007 (6)
N100.0333 (8)0.0198 (8)0.0144 (7)0.0113 (7)0.0038 (6)0.0009 (6)
C10.0197 (9)0.0251 (9)0.0261 (9)0.0025 (7)0.0047 (7)0.0079 (7)
C20.0232 (9)0.0341 (11)0.0293 (10)0.0032 (8)0.0084 (8)0.0142 (8)
C30.0212 (9)0.0214 (9)0.0241 (9)0.0053 (7)0.0078 (7)0.0014 (7)
C40.0192 (8)0.0172 (8)0.0219 (9)0.0033 (7)0.0022 (7)0.0033 (7)
C50.0245 (9)0.0305 (10)0.0240 (9)0.0068 (8)0.0100 (7)0.0066 (8)
C60.0221 (9)0.0284 (10)0.0261 (9)0.0105 (8)0.0092 (7)0.0027 (8)
C70.0236 (9)0.0177 (8)0.0167 (8)0.0047 (7)0.0025 (7)0.0014 (7)
C80.0257 (9)0.0221 (9)0.0194 (9)0.0040 (7)0.0089 (7)0.0012 (7)
C90.0361 (11)0.0332 (11)0.0204 (9)0.0007 (9)0.0045 (8)0.0029 (8)
C100.0538 (14)0.0404 (13)0.0205 (10)0.0058 (10)0.0137 (9)0.0026 (9)
C110.0259 (9)0.0261 (10)0.0153 (8)0.0045 (7)0.0051 (7)0.0014 (7)
C120.0435 (11)0.0182 (9)0.0204 (9)0.0017 (8)0.0058 (8)0.0034 (7)
C130.0407 (11)0.0198 (9)0.0200 (9)0.0020 (8)0.0062 (8)0.0014 (7)
C140.0221 (9)0.0220 (9)0.0161 (8)0.0064 (7)0.0036 (7)0.0006 (7)
C150.0331 (10)0.0163 (8)0.0219 (9)0.0015 (7)0.0045 (8)0.0030 (7)
C160.0346 (10)0.0206 (9)0.0211 (9)0.0030 (8)0.0075 (8)0.0033 (7)
C170.0246 (9)0.0241 (9)0.0210 (9)0.0008 (7)0.0072 (7)0.0048 (7)
C180.0443 (12)0.0305 (11)0.0247 (10)0.0170 (9)0.0093 (9)0.0009 (8)
C190.0255 (9)0.0167 (8)0.0200 (8)0.0033 (7)0.0093 (7)0.0016 (7)
C200.0235 (9)0.0281 (10)0.0235 (9)0.0109 (8)0.0010 (7)0.0032 (8)
C210.0268 (9)0.0291 (10)0.0194 (9)0.0075 (8)0.0003 (7)0.0069 (7)
C220.0251 (9)0.0176 (9)0.0183 (8)0.0053 (7)0.0056 (7)0.0006 (7)
C230.0214 (9)0.0231 (9)0.0208 (9)0.0060 (7)0.0016 (7)0.0000 (7)
C240.0254 (9)0.0230 (9)0.0186 (9)0.0004 (7)0.0023 (7)0.0040 (7)
C250.0191 (8)0.0259 (9)0.0258 (9)0.0053 (7)0.0043 (7)0.0043 (8)
C260.0285 (10)0.0379 (11)0.0308 (11)0.0018 (9)0.0142 (8)0.0036 (9)
C270.0347 (11)0.0262 (10)0.0272 (10)0.0055 (8)0.0124 (8)0.0015 (8)
C280.0342 (11)0.0246 (9)0.0240 (9)0.0040 (8)0.0140 (8)0.0073 (8)
O50.0426 (9)0.0274 (8)0.0316 (8)0.0073 (7)0.0068 (7)0.0019 (6)
O60.0750 (13)0.0496 (11)0.0270 (8)0.0147 (10)0.0005 (8)0.0027 (8)
Geometric parameters (Å, º) top
Cu1—O21.9696 (12)C5—C61.384 (3)
Cu1—O2i1.9696 (12)C6—H60.9500
Cu1—N1i1.9739 (15)C6—C71.387 (3)
Cu1—N11.9739 (15)C7—C81.392 (2)
Cu2—O41.9627 (14)C8—H80.9500
Cu2—O4ii1.9627 (14)C9—H90.9500
Cu2—N4iii2.0090 (15)C10—H100.9500
Cu2—N4iv2.0090 (15)C11—C121.386 (3)
O1—C251.233 (2)C11—C161.384 (3)
O2—C251.286 (2)C12—H120.9500
O3—C281.239 (2)C12—C131.385 (3)
O4—C281.278 (3)C13—H130.9500
N1—C11.327 (2)C13—C141.391 (3)
N1—C21.359 (2)C14—C151.389 (3)
N2—N31.357 (2)C15—H150.9500
N2—C21.315 (2)C15—C161.383 (3)
N3—C11.326 (2)C16—H160.9500
N3—C41.429 (2)C17—H170.9500
N4—C171.328 (2)C18—H180.9500
N4—C181.361 (3)C19—C201.384 (3)
N5—N61.352 (2)C19—C241.381 (3)
N5—C181.317 (3)C20—H200.9500
N6—C171.339 (2)C20—C211.386 (3)
N6—C191.443 (2)C21—H210.9500
N7—C91.322 (3)C21—C221.395 (2)
N7—C101.349 (3)C22—C231.394 (2)
N8—N91.354 (2)C23—H230.9500
N8—C101.310 (3)C23—C241.389 (3)
N9—C91.334 (3)C24—H240.9500
N9—C111.432 (2)C25—C261.523 (3)
N10—C71.418 (2)C26—H26A0.9900
N10—C141.415 (2)C26—H26B0.9900
N10—C221.415 (2)C26—C271.521 (3)
C1—H10.9500C27—H27A0.9900
C2—H20.9500C27—H27B0.9900
C3—H30.9500C27—C281.520 (3)
C3—C41.384 (3)O5—H5A0.829 (17)
C3—C81.378 (2)O5—H5B0.846 (16)
C4—C51.382 (3)O6—H6A0.814 (17)
C5—H50.9500O6—H6B0.827 (17)
O2—Cu1—O2i180.0N8—C10—N7115.19 (19)
O2i—Cu1—N188.82 (6)N8—C10—H10122.4
O2—Cu1—N1i88.82 (6)C12—C11—N9119.71 (17)
O2—Cu1—N191.18 (6)C16—C11—N9119.78 (17)
O2i—Cu1—N1i91.18 (6)C16—C11—C12120.49 (17)
N1i—Cu1—N1180.0C11—C12—H12120.2
O4—Cu2—O4ii180.0C13—C12—C11119.51 (17)
O4ii—Cu2—N4iv91.97 (6)C13—C12—H12120.2
O4ii—Cu2—N4iii88.03 (6)C12—C13—H13119.7
O4—Cu2—N4iv88.03 (6)C12—C13—C14120.52 (17)
O4—Cu2—N4iii91.97 (6)C14—C13—H13119.7
N4iii—Cu2—N4iv180.00 (5)C13—C14—N10119.77 (16)
C25—O2—Cu1105.90 (11)C15—C14—N10120.95 (17)
C28—O4—Cu2108.04 (12)C15—C14—C13119.26 (17)
C1—N1—Cu1125.76 (13)C14—C15—H15119.7
C1—N1—C2103.76 (15)C16—C15—C14120.51 (17)
C2—N1—Cu1130.38 (13)C16—C15—H15119.7
C2—N2—N3102.84 (15)C11—C16—H16120.1
N2—N3—C4122.44 (14)C15—C16—C11119.71 (17)
C1—N3—N2110.47 (14)C15—C16—H16120.1
C1—N3—C4127.06 (15)N4—C17—N6108.66 (16)
C17—N4—Cu2v132.61 (13)N4—C17—H17125.7
C17—N4—C18103.74 (15)N6—C17—H17125.7
C18—N4—Cu2v123.59 (13)N4—C18—H18122.9
C18—N5—N6102.42 (16)N5—C18—N4114.16 (17)
N5—N6—C19118.79 (14)N5—C18—H18122.9
C17—N6—N5110.99 (15)C20—C19—N6118.07 (16)
C17—N6—C19130.19 (16)C24—C19—N6120.95 (16)
C9—N7—C10102.70 (17)C24—C19—C20120.98 (16)
C10—N8—N9102.31 (17)C19—C20—H20120.1
N8—N9—C11120.98 (16)C19—C20—C21119.75 (17)
C9—N9—N8109.85 (16)C21—C20—H20120.1
C9—N9—C11129.17 (17)C20—C21—H21119.8
C14—N10—C7118.83 (14)C20—C21—C22120.41 (17)
C14—N10—C22121.32 (15)C22—C21—H21119.8
C22—N10—C7119.49 (14)C21—C22—N10120.98 (16)
N1—C1—H1125.4C23—C22—N10120.33 (15)
N3—C1—N1109.25 (16)C23—C22—C21118.69 (16)
N3—C1—H1125.4C22—C23—H23119.4
N1—C2—H2123.2C24—C23—C22121.14 (16)
N2—C2—N1113.68 (17)C24—C23—H23119.4
N2—C2—H2123.2C19—C24—C23118.94 (16)
C4—C3—H3120.4C19—C24—H24120.5
C8—C3—H3120.4C23—C24—H24120.5
C8—C3—C4119.11 (16)O1—C25—O2122.76 (18)
C3—C4—N3118.72 (15)O1—C25—C26121.47 (18)
C5—C4—N3119.75 (16)O2—C25—C26115.74 (17)
C5—C4—C3121.50 (16)C25—C26—H26A108.9
C4—C5—H5120.7C25—C26—H26B108.9
C4—C5—C6118.67 (17)H26A—C26—H26B107.7
C6—C5—H5120.7C27—C26—C25113.22 (17)
C5—C6—H6119.7C27—C26—H26A108.9
C5—C6—C7120.63 (17)C27—C26—H26B108.9
C7—C6—H6119.7C26—C27—H27A109.0
C6—C7—N10120.77 (16)C26—C27—H27B109.0
C6—C7—C8119.43 (16)H27A—C27—H27B107.8
C8—C7—N10119.80 (16)C28—C27—C26112.98 (16)
C3—C8—C7120.32 (16)C28—C27—H27A109.0
C3—C8—H8119.8C28—C27—H27B109.0
C7—C8—H8119.8O3—C28—O4123.15 (19)
N7—C9—N9109.95 (19)O3—C28—C27120.57 (18)
N7—C9—H9125.0O4—C28—C27116.26 (17)
N9—C9—H9125.0H5A—O5—H5B105 (2)
N7—C10—H10122.4H6A—O6—H6B106 (3)
Symmetry codes: (i) x+2, y+1, z+2; (ii) x+1, y+1, z+1; (iii) x+1/2, y+1/2, z1/2; (iv) x+1/2, y+1/2, z+3/2; (v) x+1/2, y1/2, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H5A···O20.83 (2)2.10 (2)2.880 (2)157 (2)
O5—H5B···N7vi0.85 (2)2.02 (2)2.856 (2)173 (2)
O6—H6A···O50.81 (2)2.07 (2)2.857 (2)163 (3)
O6—H6B···N8vii0.83 (2)2.23 (2)3.018 (3)161 (3)
Symmetry codes: (vi) x+1, y, z+1; (vii) x+1/2, y+1/2, z+1/2.
 

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds