Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680905171X/gk2241sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680905171X/gk2241Isup2.hkl |
CCDC reference: 766658
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.007 Å
- R factor = 0.020
- wR factor = 0.048
- Data-to-parameter ratio = 11.3
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.41 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.599 61
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 9 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 100 Deg. PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.15 Ratio PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............ 1 Times
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
A mixture of AgNO3(0.057 g, 0.33 mmol), Yb2O3(0.116 g, 0.33 mmol), 2-pyrazinecarboxylic acid(0.165 g, 1.33 mmol), terephthalic acid (0.166 g, 1.0 mmol), H2O(7 ml), and HClO4(0.257 mmol)(pH 2) was sealed in a 20 ml Teflon-lined reaction vessel at 443 K for 6 days and then slowly cooled to room temperature. The product was collected by filtration, washed with water and air-dried. Colorless block crystals were suitable for X-ray analysis were obtained.
H atoms bonded to C atoms were positioned geometrically and refined as riding, with C—H = 0.93 Å and Uiso(H) = 1.2 Ueq(C). H atoms of the water molecules were found from difference Fourier maps and refined with restraints imposed on the O-H and H···H distances [O—H = 0.82 (1) Å and H···H = 1.29 (1) Å] and displacement parameters set to 1.5Ueq(O).
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).
[Yb2(C8H4O4)3(H2O)6] | Z = 2 |
Mr = 473.26 | F(000) = 452 |
Triclinic, P1 | Dx = 2.260 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.8413 (7) Å | Cell parameters from 2800 reflections |
b = 9.5545 (8) Å | θ = 2.6–27.8° |
c = 10.6561 (9) Å | µ = 6.77 mm−1 |
α = 68.827 (1)° | T = 296 K |
β = 71.024 (1)° | Block, colorless |
γ = 75.206 (1)° | 0.21 × 0.18 × 0.17 mm |
V = 695.34 (10) Å3 |
Bruker APEXII area-detector diffractometer | 2444 independent reflections |
Radiation source: fine-focus sealed tube | 2323 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.015 |
Detector resolution: 0 pixels mm-1 | θmax = 25.2°, θmin = 2.1° |
ϕ and ω scan | h = −9→7 |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | k = −10→11 |
Tmin = 0.251, Tmax = 0.316 | l = −12→11 |
3564 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.020 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.048 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0237P)2 + 0.8814P] where P = (Fo2 + 2Fc2)/3 |
2444 reflections | (Δ/σ)max = 0.003 |
217 parameters | Δρmax = 0.82 e Å−3 |
9 restraints | Δρmin = −0.73 e Å−3 |
[Yb2(C8H4O4)3(H2O)6] | γ = 75.206 (1)° |
Mr = 473.26 | V = 695.34 (10) Å3 |
Triclinic, P1 | Z = 2 |
a = 7.8413 (7) Å | Mo Kα radiation |
b = 9.5545 (8) Å | µ = 6.77 mm−1 |
c = 10.6561 (9) Å | T = 296 K |
α = 68.827 (1)° | 0.21 × 0.18 × 0.17 mm |
β = 71.024 (1)° |
Bruker APEXII area-detector diffractometer | 2444 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2323 reflections with I > 2σ(I) |
Tmin = 0.251, Tmax = 0.316 | Rint = 0.015 |
3564 measured reflections |
R[F2 > 2σ(F2)] = 0.020 | 9 restraints |
wR(F2) = 0.048 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.04 | Δρmax = 0.82 e Å−3 |
2444 reflections | Δρmin = −0.73 e Å−3 |
217 parameters |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Yb1 | 0.26626 (2) | 0.294523 (19) | 1.006579 (16) | 0.01940 (7) | |
C1 | 0.2794 (6) | 0.7548 (5) | 0.1682 (4) | 0.0244 (9) | |
C2 | 0.2113 (6) | 0.6900 (5) | 0.3233 (4) | 0.0231 (9) | |
C3 | 0.3017 (8) | 0.5574 (6) | 0.3942 (5) | 0.0546 (17) | |
H3 | 0.3999 | 0.5039 | 0.3444 | 0.066* | |
C4 | 0.2506 (8) | 0.5012 (6) | 0.5381 (5) | 0.0501 (15) | |
H4 | 0.3117 | 0.4094 | 0.5839 | 0.060* | |
C5 | 0.1094 (6) | 0.5813 (5) | 0.6133 (4) | 0.0238 (9) | |
C6 | 0.0601 (5) | 0.5283 (5) | 0.7702 (4) | 0.0210 (8) | |
C7 | 0.0173 (7) | 0.7138 (6) | 0.5423 (5) | 0.0465 (14) | |
H7 | −0.0791 | 0.7690 | 0.5917 | 0.056* | |
C8 | 0.0665 (7) | 0.7660 (6) | 0.3982 (5) | 0.0435 (13) | |
H8 | 0.0001 | 0.8540 | 0.3519 | 0.052* | |
C9 | 0.3969 (5) | 0.1538 (5) | 1.2422 (4) | 0.0221 (9) | |
C10 | 0.4506 (6) | 0.0733 (5) | 1.3751 (4) | 0.0243 (9) | |
C11 | 0.5442 (8) | 0.1424 (5) | 1.4211 (5) | 0.0406 (13) | |
H11 | 0.5754 | 0.2380 | 1.3678 | 0.049* | |
C12 | 0.4091 (8) | −0.0693 (6) | 1.4544 (5) | 0.0411 (13) | |
H12 | 0.3486 | −0.1171 | 1.4234 | 0.049* | |
O1 | 0.1745 (4) | 0.8546 (4) | 0.1024 (3) | 0.0324 (7) | |
O2 | 0.4422 (4) | 0.7076 (4) | 0.1137 (3) | 0.0361 (8) | |
O3 | −0.0475 (4) | 0.6148 (4) | 0.8340 (3) | 0.0317 (7) | |
O4 | 0.1368 (5) | 0.3988 (3) | 0.8290 (3) | 0.0336 (7) | |
O5 | 0.4165 (4) | 0.2898 (3) | 1.1772 (3) | 0.0276 (7) | |
O6 | 0.3249 (4) | 0.0831 (3) | 1.1957 (3) | 0.0271 (7) | |
O1W | 0.3026 (5) | 0.5482 (4) | 0.9349 (4) | 0.0387 (8) | |
H1W | 0.221 (4) | 0.617 (4) | 0.914 (6) | 0.058* | |
H2W | 0.393 (4) | 0.589 (5) | 0.908 (6) | 0.058* | |
O2W | 0.0025 (5) | 0.1676 (4) | 1.0747 (4) | 0.0358 (8) | |
H3W | −0.038 (7) | 0.168 (5) | 1.013 (4) | 0.054* | |
H4W | 0.030 (8) | 0.0778 (19) | 1.115 (5) | 0.054* | |
O3W | 0.3438 (5) | 0.0930 (3) | 0.9110 (3) | 0.0329 (7) | |
H5W | 0.451 (2) | 0.065 (5) | 0.877 (5) | 0.049* | |
H6W | 0.303 (5) | 0.014 (3) | 0.957 (5) | 0.049* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb1 | 0.02266 (11) | 0.02072 (11) | 0.01111 (10) | −0.00012 (7) | −0.00580 (7) | −0.00153 (7) |
C1 | 0.027 (2) | 0.026 (2) | 0.021 (2) | −0.0095 (19) | −0.0056 (18) | −0.0052 (18) |
C2 | 0.026 (2) | 0.028 (2) | 0.015 (2) | −0.0081 (18) | −0.0059 (16) | −0.0031 (17) |
C3 | 0.064 (4) | 0.049 (3) | 0.019 (2) | 0.029 (3) | −0.001 (2) | −0.006 (2) |
C4 | 0.065 (4) | 0.039 (3) | 0.017 (2) | 0.027 (3) | −0.008 (2) | −0.002 (2) |
C5 | 0.026 (2) | 0.023 (2) | 0.018 (2) | −0.0040 (18) | −0.0057 (17) | −0.0023 (17) |
C6 | 0.023 (2) | 0.022 (2) | 0.018 (2) | −0.0043 (17) | −0.0086 (17) | −0.0035 (17) |
C7 | 0.036 (3) | 0.053 (3) | 0.019 (2) | 0.024 (2) | 0.002 (2) | −0.003 (2) |
C8 | 0.034 (3) | 0.050 (3) | 0.018 (2) | 0.019 (2) | −0.005 (2) | 0.003 (2) |
C9 | 0.021 (2) | 0.027 (2) | 0.015 (2) | −0.0004 (17) | −0.0046 (16) | −0.0045 (18) |
C10 | 0.030 (2) | 0.023 (2) | 0.018 (2) | 0.0013 (18) | −0.0117 (17) | −0.0023 (17) |
C11 | 0.070 (4) | 0.028 (3) | 0.029 (3) | −0.019 (2) | −0.028 (2) | 0.007 (2) |
C12 | 0.066 (4) | 0.036 (3) | 0.033 (3) | −0.020 (3) | −0.034 (3) | 0.003 (2) |
O1 | 0.0370 (18) | 0.0362 (18) | 0.0199 (15) | −0.0057 (15) | −0.0127 (14) | 0.0009 (14) |
O2 | 0.0302 (18) | 0.046 (2) | 0.0226 (16) | −0.0030 (15) | 0.0006 (13) | −0.0083 (15) |
O3 | 0.0330 (17) | 0.0383 (19) | 0.0170 (15) | 0.0030 (14) | −0.0030 (13) | −0.0094 (14) |
O4 | 0.054 (2) | 0.0251 (17) | 0.0212 (16) | 0.0009 (15) | −0.0202 (15) | −0.0014 (13) |
O5 | 0.0352 (17) | 0.0276 (17) | 0.0182 (15) | −0.0074 (13) | −0.0135 (13) | 0.0027 (13) |
O6 | 0.0391 (18) | 0.0250 (16) | 0.0196 (15) | −0.0059 (13) | −0.0179 (13) | 0.0003 (13) |
O1W | 0.0313 (18) | 0.0267 (18) | 0.052 (2) | −0.0055 (14) | −0.0105 (17) | −0.0049 (16) |
O2W | 0.0395 (19) | 0.0379 (19) | 0.0327 (19) | −0.0096 (16) | −0.0140 (15) | −0.0074 (15) |
O3W | 0.0388 (19) | 0.0277 (17) | 0.0296 (18) | −0.0009 (14) | −0.0077 (15) | −0.0096 (14) |
Yb1—O2i | 2.227 (3) | C6—O4 | 1.261 (5) |
Yb1—O4 | 2.231 (3) | C7—C8 | 1.384 (6) |
Yb1—O3ii | 2.233 (3) | C7—H7 | 0.9300 |
Yb1—O1W | 2.327 (3) | C8—H8 | 0.9300 |
Yb1—O3W | 2.352 (3) | C9—O5 | 1.255 (5) |
Yb1—O6 | 2.354 (3) | C9—O6 | 1.280 (5) |
Yb1—O2W | 2.438 (3) | C9—C10 | 1.487 (5) |
Yb1—O5 | 2.450 (3) | C10—C12 | 1.376 (6) |
Yb1—C9 | 2.773 (4) | C10—C11 | 1.389 (6) |
C1—O1 | 1.252 (5) | C11—C12iii | 1.378 (6) |
C1—O2 | 1.259 (5) | C11—H11 | 0.9300 |
C1—C2 | 1.502 (5) | C12—C11iii | 1.378 (6) |
C2—C8 | 1.364 (6) | C12—H12 | 0.9300 |
C2—C3 | 1.370 (6) | O2—Yb1i | 2.227 (3) |
C3—C4 | 1.385 (6) | O3—Yb1ii | 2.233 (3) |
C3—H3 | 0.9300 | O1W—H1W | 0.81 (4) |
C4—C5 | 1.373 (6) | O1W—H2W | 0.82 (4) |
C4—H4 | 0.9300 | O2W—H3W | 0.82 (5) |
C5—C7 | 1.376 (6) | O2W—H4W | 0.82 (3) |
C5—C6 | 1.507 (5) | O3W—H5W | 0.82 (3) |
C6—O3 | 1.238 (5) | O3W—H6W | 0.82 (4) |
O2i—Yb1—O4 | 98.80 (12) | C5—C4—C3 | 119.9 (4) |
O2i—Yb1—O3ii | 144.25 (12) | C5—C4—H4 | 120.1 |
O4—Yb1—O3ii | 98.76 (12) | C3—C4—H4 | 120.1 |
O2i—Yb1—O1W | 76.69 (12) | C4—C5—C7 | 118.6 (4) |
O4—Yb1—O1W | 77.10 (12) | C4—C5—C6 | 120.8 (4) |
O3ii—Yb1—O1W | 77.26 (12) | C7—C5—C6 | 120.5 (4) |
O2i—Yb1—O3W | 73.41 (12) | O3—C6—O4 | 123.7 (4) |
O4—Yb1—O3W | 79.48 (11) | O3—C6—C5 | 118.9 (4) |
O3ii—Yb1—O3W | 140.62 (12) | O4—C6—C5 | 117.3 (4) |
O1W—Yb1—O3W | 138.30 (12) | C5—C7—C8 | 120.8 (4) |
O2i—Yb1—O6 | 94.87 (11) | C5—C7—H7 | 119.6 |
O4—Yb1—O6 | 148.87 (11) | C8—C7—H7 | 119.6 |
O3ii—Yb1—O6 | 85.72 (11) | C2—C8—C7 | 120.8 (4) |
O1W—Yb1—O6 | 133.53 (11) | C2—C8—H8 | 119.6 |
O3W—Yb1—O6 | 77.85 (11) | C7—C8—H8 | 119.6 |
O2i—Yb1—O2W | 143.67 (12) | O5—C9—O6 | 119.7 (4) |
O4—Yb1—O2W | 74.76 (12) | O5—C9—C10 | 121.4 (4) |
O3ii—Yb1—O2W | 71.38 (12) | O6—C9—C10 | 118.8 (4) |
O1W—Yb1—O2W | 133.46 (12) | O5—C9—Yb1 | 62.0 (2) |
O3W—Yb1—O2W | 70.26 (12) | O6—C9—Yb1 | 57.76 (19) |
O6—Yb1—O2W | 77.66 (11) | C10—C9—Yb1 | 174.7 (3) |
O2i—Yb1—O5 | 77.29 (11) | C12—C10—C11 | 118.9 (4) |
O4—Yb1—O5 | 156.47 (11) | C12—C10—C9 | 121.2 (4) |
O3ii—Yb1—O5 | 74.22 (11) | C11—C10—C9 | 119.9 (4) |
O1W—Yb1—O5 | 79.44 (11) | C12iii—C11—C10 | 120.0 (4) |
O3W—Yb1—O5 | 120.37 (11) | C12iii—C11—H11 | 120.0 |
O6—Yb1—O5 | 54.27 (9) | C10—C11—H11 | 120.0 |
O2W—Yb1—O5 | 121.90 (10) | C10—C12—C11iii | 121.1 (4) |
O2i—Yb1—C9 | 86.23 (11) | C10—C12—H12 | 119.5 |
O4—Yb1—C9 | 174.57 (12) | C11iii—C12—H12 | 119.5 |
O3ii—Yb1—C9 | 78.02 (11) | C1—O2—Yb1i | 161.1 (3) |
O1W—Yb1—C9 | 106.19 (13) | C6—O3—Yb1ii | 162.9 (3) |
O3W—Yb1—C9 | 100.18 (12) | C6—O4—Yb1 | 137.1 (3) |
O6—Yb1—C9 | 27.39 (11) | C9—O5—Yb1 | 91.1 (2) |
O2W—Yb1—C9 | 99.99 (11) | C9—O6—Yb1 | 94.8 (2) |
O5—Yb1—C9 | 26.89 (11) | Yb1—O1W—H1W | 121 (3) |
O1—C1—O2 | 124.3 (4) | Yb1—O1W—H2W | 132 (3) |
O1—C1—C2 | 118.7 (4) | H1W—O1W—H2W | 105 (5) |
O2—C1—C2 | 116.9 (4) | Yb1—O2W—H3W | 118 (4) |
C8—C2—C3 | 118.3 (4) | Yb1—O2W—H4W | 109 (4) |
C8—C2—C1 | 121.2 (4) | H3W—O2W—H4W | 105 (5) |
C3—C2—C1 | 120.3 (4) | Yb1—O3W—H5W | 119 (4) |
C2—C3—C4 | 121.6 (5) | Yb1—O3W—H6W | 119 (4) |
C2—C3—H3 | 119.2 | H5W—O3W—H6W | 104 (4) |
C4—C3—H3 | 119.2 |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y+1, −z+2; (iii) −x+1, −y, −z+3. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W···O2Wii | 0.81 (4) | 2.35 (3) | 3.123 (5) | 158 (6) |
O1W—H1W···O3 | 0.81 (4) | 2.52 (4) | 3.104 (5) | 130 (4) |
O1W—H2W···O5iv | 0.82 (4) | 1.91 (5) | 2.714 (4) | 170 (5) |
O2W—H3W···O1v | 0.82 (5) | 1.97 (5) | 2.771 (4) | 167 (5) |
O2W—H4W···O1vi | 0.82 (3) | 2.17 (3) | 2.900 (5) | 149 (5) |
O3W—H5W···O6vii | 0.82 (3) | 2.08 (2) | 2.846 (4) | 156 (4) |
O3W—H6W···O1vi | 0.82 (4) | 1.95 (4) | 2.746 (4) | 165 (5) |
Symmetry codes: (ii) −x, −y+1, −z+2; (iv) −x+1, −y+1, −z+2; (v) −x, −y+1, −z+1; (vi) x, y−1, z+1; (vii) −x+1, −y, −z+2. |
Experimental details
Crystal data | |
Chemical formula | [Yb2(C8H4O4)3(H2O)6] |
Mr | 473.26 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 296 |
a, b, c (Å) | 7.8413 (7), 9.5545 (8), 10.6561 (9) |
α, β, γ (°) | 68.827 (1), 71.024 (1), 75.206 (1) |
V (Å3) | 695.34 (10) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 6.77 |
Crystal size (mm) | 0.21 × 0.18 × 0.17 |
Data collection | |
Diffractometer | Bruker APEXII area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.251, 0.316 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 3564, 2444, 2323 |
Rint | 0.015 |
(sin θ/λ)max (Å−1) | 0.599 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.020, 0.048, 1.04 |
No. of reflections | 2444 |
No. of parameters | 217 |
No. of restraints | 9 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.82, −0.73 |
Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W···O2Wi | 0.81 (4) | 2.35 (3) | 3.123 (5) | 158 (6) |
O1W—H1W···O3 | 0.81 (4) | 2.52 (4) | 3.104 (5) | 130 (4) |
O1W—H2W···O5ii | 0.82 (4) | 1.91 (5) | 2.714 (4) | 170 (5) |
O2W—H3W···O1iii | 0.82 (5) | 1.97 (5) | 2.771 (4) | 167 (5) |
O2W—H4W···O1iv | 0.82 (3) | 2.17 (3) | 2.900 (5) | 149 (5) |
O3W—H5W···O6v | 0.82 (3) | 2.08 (2) | 2.846 (4) | 156 (4) |
O3W—H6W···O1iv | 0.82 (4) | 1.95 (4) | 2.746 (4) | 165 (5) |
Symmetry codes: (i) −x, −y+1, −z+2; (ii) −x+1, −y+1, −z+2; (iii) −x, −y+1, −z+1; (iv) x, y−1, z+1; (v) −x+1, −y, −z+2. |
Terephthalic acid as a dicarboxylate ligand may exhibit various coordination modes with transition metals or lanthanide ions that result in one-, two- or three-dimensional metal-organic frameworks (MOFs). As an extension of this research we report here the structure of the title two-dimensional coordination polymer of YbIII which is isostructural with LuIII and ErIII complexes (Daiguebonne et al., 2006; Xie et al., 2008) .
The asymmetric unit of the title compound (Fig. 1) contains one YbIII ion, one and a half of terephthalate ligand, and three coordinated water molecules. The YbIII ion is eight-coordinate with a dodecahedral coordination polyhedron made of three oxygen atoms from three coordination water molecules and five oxygen atoms from carboxylate groups of four different terephthalate ligands.
The coordination polymers are joined by O—H···O hydrogen bonds between coordinated water molecules and carboxylate groups of terephthalate ligands (Table 1).