supplementary materials
catena-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato-
O1)copper(II)]-di-
-aqua-[diaquasodium]-di-
-aqua] tetrahydrate]
In the heteronuclear coordination polymer, {[CuNa(C9H2NO8)(H2O)7]·4H2O}n, the CuII atom is coordinated by six O atoms from five water molecules and one 5-nitrobenzene-1,2,3-tricarboxylate ligand in a slightly distorted octahedral geometry. The Na+ cation is surrounded by six water molecules in an irregular trigonal-prismatic geometry. The Cu and Na atoms are connected by water bridges, forming an infinite chain. O-H
O hydrogen bonds involving the coordinated and uncoordinated water molecules connect the chains into a three-dimensional network.
5-Nitrobenzene-1,2,3-tricarboxylic acid (0.051 g, 0.2 mmol) was added to a
solution of copper chloride (0.027 g, 0.2 mmol) (20 mL), the resulting mixture
was treated with a solution of NaOH until the pH value come rise to be about
8.The mixture was then stirred continuously for 6 h, and the filtrate was kept
in conical flask for about 30 days and blue block crystals were obtained from
the solution, dried in vacuum. Yield: 67.6%. Crystal of the title compound
suitable for single-crystal X-ray diffraction was selected directly from the
sample as prepared.
All C-bound H atoms were placed in calculated positions, with C—H = 0.93Å
for phenyl H, and refined as riding, with Uiso(H) =1.2Ueq
(C) for phenyl H. The water H-atoms were placed in chemically sensible
positions on the basis of hydrogen bonding but were not refined, with
Uiso(H) = 1.5Ueq(O).
Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).
catena-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato-
κO1)copper(II)]-di-µ-aqua-[diaquasodium]-di-µ-aqua]
tetrahydrate]
top
Crystal data top
| [CuNa(C9H2NO8)(H2O)7]·4H2O | Z = 2 |
| Mr = 536.82 | F(000) = 554 |
| Triclinic, P1 | Dx = 1.722 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
| a = 6.6480 (13) Å | Cell parameters from 2416 reflections |
| b = 13.124 (3) Å | θ = 2.9–27.7° |
| c = 13.531 (3) Å | µ = 1.17 mm−1 |
| α = 63.46 (3)° | T = 295 K |
| β = 79.17 (4)° | Block, blue |
| γ = 82.13 (3)° | 0.27 × 0.26 × 0.21 mm |
| V = 1035.5 (4) Å3 | |
Data collection top
Bruker APEXII area-detector diffractometer | 3719 independent reflections |
| Radiation source: fine-focus sealed tube | 3113 reflections with I > 2σ(I) |
| graphite | Rint = 0.021 |
| φ and ω scan | θmax = 25.2°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2005) | h = −7→7 |
| Tmin = 0.743, Tmax = 0.791 | k = −15→15 |
| 5466 measured reflections | l = −12→16 |
Refinement top
| 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)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.133 | H-atom parameters constrained |
| S = 1.02 | w = 1/[σ2(Fo2) + (0.0826P)2 + 0.906P] where P = (Fo2 + 2Fc2)/3 |
| 3696 reflections | (Δ/σ)max = 0.001 |
| 280 parameters | Δρmax = 0.76 e Å−3 |
| 0 restraints | Δρmin = −0.76 e Å−3 |
Crystal data top
| [CuNa(C9H2NO8)(H2O)7]·4H2O | γ = 82.13 (3)° |
| Mr = 536.82 | V = 1035.5 (4) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 6.6480 (13) Å | Mo Kα radiation |
| b = 13.124 (3) Å | µ = 1.17 mm−1 |
| c = 13.531 (3) Å | T = 295 K |
| α = 63.46 (3)° | 0.27 × 0.26 × 0.21 mm |
| β = 79.17 (4)° | |
Data collection top
Bruker APEXII area-detector diffractometer | 3719 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2005) | 3113 reflections with I > 2σ(I) |
| Tmin = 0.743, Tmax = 0.791 | Rint = 0.021 |
| 5466 measured reflections | θmax = 25.2° |
Refinement top
| R[F2 > 2σ(F2)] = 0.047 | H-atom parameters constrained |
| wR(F2) = 0.133 | Δρmax = 0.76 e Å−3 |
| S = 1.02 | Δρmin = −0.76 e Å−3 |
| 3696 reflections | Absolute structure: ? |
| 280 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top| | x | y | z | Uiso*/Ueq | |
| Cu1 | 0.45974 (6) | 1.11126 (4) | 0.67569 (3) | 0.02613 (17) | |
| Na1 | 0.9245 (2) | 1.21836 (13) | 0.62390 (12) | 0.0355 (4) | |
| N1 | 0.1276 (5) | 0.5042 (3) | 1.1324 (2) | 0.0300 (7) | |
| C1 | 0.2949 (5) | 0.8902 (3) | 0.8445 (3) | 0.0233 (7) | |
| C2 | 0.2868 (5) | 0.7638 (3) | 0.8775 (3) | 0.0224 (7) | |
| C3 | 0.3519 (5) | 0.7198 (3) | 0.7989 (3) | 0.0209 (7) | |
| C4 | 0.3514 (5) | 0.6022 (3) | 0.8333 (3) | 0.0219 (7) | |
| C5 | 0.2859 (5) | 0.5315 (3) | 0.9441 (3) | 0.0238 (7) | |
| H5 | 0.2926 | 0.4528 | 0.9687 | 0.029* | |
| C6 | 0.2110 (5) | 0.5782 (3) | 1.0174 (3) | 0.0246 (7) | |
| C7 | 0.2114 (5) | 0.6939 (3) | 0.9862 (3) | 0.0240 (7) | |
| H7 | 0.1620 | 0.7239 | 1.0374 | 0.029* | |
| C8 | 0.4157 (5) | 0.7967 (3) | 0.6777 (3) | 0.0217 (7) | |
| C9 | 0.4168 (5) | 0.5492 (3) | 0.7518 (3) | 0.0255 (8) | |
| O1 | 0.1623 (5) | 0.4011 (2) | 1.1654 (2) | 0.0438 (7) | |
| O2 | 0.0221 (4) | 0.5489 (3) | 1.1883 (2) | 0.0424 (7) | |
| O3 | 0.5154 (4) | 0.4541 (2) | 0.7880 (2) | 0.0350 (6) | |
| O4 | 0.3646 (4) | 0.6026 (2) | 0.6569 (2) | 0.0322 (6) | |
| O5 | 0.5992 (3) | 0.7895 (2) | 0.6373 (2) | 0.0279 (5) | |
| O6 | 0.2773 (3) | 0.8631 (2) | 0.62482 (19) | 0.0253 (5) | |
| O7 | 0.1643 (4) | 0.9349 (2) | 0.8958 (2) | 0.0378 (7) | |
| O8 | 0.4354 (3) | 0.94091 (19) | 0.76839 (19) | 0.0239 (5) | |
| O1W | 1.0173 (5) | 1.3157 (3) | 0.4326 (3) | 0.0583 (9) | |
| H1W | 1.1316 | 1.3136 | 0.3943 | 0.087* | |
| H2W | 0.9188 | 1.3422 | 0.3956 | 0.087* | |
| O2W | 0.3871 (5) | 0.2405 (2) | 0.8712 (2) | 0.0480 (8) | |
| H3W | 0.3277 | 0.2063 | 0.9367 | 0.072* | |
| H4W | 0.4314 | 0.2983 | 0.8694 | 0.072* | |
| O3W | 0.2499 (4) | 0.4492 (2) | 0.5859 (2) | 0.0413 (7) | |
| H5W | 0.2851 | 0.4832 | 0.6193 | 0.062* | |
| H6W | 0.2712 | 0.4938 | 0.5177 | 0.062* | |
| O4W | 0.8268 (4) | 1.3977 (3) | 0.6357 (2) | 0.0457 (7) | |
| H7W | 0.7512 | 1.3945 | 0.6941 | 0.069* | |
| H8W | 0.9337 | 1.4228 | 0.6390 | 0.069* | |
| O5W | 0.8772 (4) | 0.8670 (2) | 0.7141 (2) | 0.0342 (6) | |
| H9W | 1.0052 | 0.8651 | 0.6965 | 0.051* | |
| H10W | 0.8229 | 0.8171 | 0.7068 | 0.051* | |
| O6W | 0.7667 (4) | 0.8945 (3) | 0.9121 (2) | 0.0416 (7) | |
| H11W | 0.8793 | 0.9089 | 0.9212 | 0.062* | |
| H12W | 0.7799 | 0.8737 | 0.8607 | 0.062* | |
| O7W | 0.1910 (4) | 1.1559 (2) | 0.7608 (2) | 0.0322 (6) | |
| H13W | 0.1805 | 1.0929 | 0.8175 | 0.048* | |
| H14W | 0.2254 | 1.1929 | 0.7914 | 0.048* | |
| O8W | 0.6440 (4) | 1.1187 (2) | 0.7809 (2) | 0.0304 (6) | |
| H15W | 0.6707 | 1.0528 | 0.8295 | 0.046* | |
| H16W | 0.5749 | 1.1599 | 0.8095 | 0.046* | |
| O9W | 0.2728 (4) | 1.0955 (2) | 0.5785 (2) | 0.0277 (5) | |
| H18W | 0.2966 | 1.1361 | 0.5094 | 0.041* | |
| H17W | 0.2814 | 1.0266 | 0.5904 | 0.041* | |
| O10W | 0.7342 (4) | 1.0795 (2) | 0.5925 (2) | 0.0275 (5) | |
| H19W | 0.7623 | 1.0126 | 0.6388 | 0.041* | |
| H20W | 0.7367 | 1.0866 | 0.5275 | 0.041* | |
| O11W | 0.5012 (4) | 1.2786 (2) | 0.5697 (2) | 0.0329 (6) | |
| H21W | 0.5259 | 1.3005 | 0.5003 | 0.049* | |
| H22W | 0.4304 | 1.3288 | 0.5857 | 0.049* | |
Atomic displacement parameters (Å2) top| | U11 | U22 | U33 | U12 | U13 | U23 |
| Cu1 | 0.0215 (3) | 0.0263 (3) | 0.0308 (3) | −0.00127 (17) | −0.00157 (18) | −0.0134 (2) |
| Na1 | 0.0309 (8) | 0.0395 (9) | 0.0336 (8) | −0.0038 (7) | −0.0005 (6) | −0.0146 (7) |
| N1 | 0.0234 (16) | 0.0362 (18) | 0.0270 (16) | −0.0065 (13) | −0.0033 (13) | −0.0094 (14) |
| C1 | 0.0191 (17) | 0.0243 (17) | 0.0272 (18) | 0.0004 (14) | −0.0049 (14) | −0.0115 (15) |
| C2 | 0.0163 (16) | 0.0238 (17) | 0.0279 (18) | −0.0009 (13) | −0.0026 (13) | −0.0121 (14) |
| C3 | 0.0101 (15) | 0.0242 (17) | 0.0283 (18) | 0.0014 (12) | −0.0050 (13) | −0.0112 (14) |
| C4 | 0.0138 (16) | 0.0239 (17) | 0.0284 (18) | 0.0013 (13) | −0.0054 (13) | −0.0114 (14) |
| C5 | 0.0200 (17) | 0.0225 (17) | 0.0286 (18) | 0.0001 (13) | −0.0059 (14) | −0.0103 (14) |
| C6 | 0.0156 (16) | 0.0294 (19) | 0.0251 (18) | −0.0001 (14) | −0.0051 (13) | −0.0081 (15) |
| C7 | 0.0187 (17) | 0.0280 (18) | 0.0277 (18) | 0.0018 (14) | −0.0023 (14) | −0.0156 (15) |
| C8 | 0.0182 (17) | 0.0216 (16) | 0.0286 (18) | −0.0023 (13) | −0.0015 (14) | −0.0141 (14) |
| C9 | 0.0183 (17) | 0.0278 (18) | 0.032 (2) | −0.0085 (14) | 0.0041 (14) | −0.0158 (16) |
| O1 | 0.0474 (18) | 0.0309 (16) | 0.0384 (16) | −0.0047 (13) | −0.0023 (13) | −0.0029 (12) |
| O2 | 0.0423 (17) | 0.0481 (17) | 0.0325 (15) | −0.0075 (14) | 0.0089 (13) | −0.0178 (14) |
| O3 | 0.0375 (15) | 0.0285 (14) | 0.0415 (15) | 0.0052 (12) | −0.0052 (12) | −0.0193 (12) |
| O4 | 0.0358 (15) | 0.0358 (14) | 0.0275 (14) | −0.0040 (12) | −0.0032 (11) | −0.0161 (12) |
| O5 | 0.0168 (12) | 0.0343 (14) | 0.0294 (13) | −0.0004 (10) | 0.0008 (10) | −0.0127 (11) |
| O6 | 0.0199 (12) | 0.0275 (13) | 0.0253 (12) | 0.0016 (10) | −0.0047 (10) | −0.0090 (10) |
| O7 | 0.0351 (15) | 0.0314 (14) | 0.0463 (16) | −0.0050 (12) | 0.0122 (12) | −0.0225 (13) |
| O8 | 0.0199 (12) | 0.0218 (12) | 0.0275 (13) | −0.0024 (9) | 0.0004 (10) | −0.0095 (10) |
| O1W | 0.0451 (18) | 0.070 (2) | 0.0423 (18) | 0.0258 (16) | −0.0035 (14) | −0.0179 (16) |
| O2W | 0.066 (2) | 0.0372 (16) | 0.0431 (17) | −0.0126 (15) | 0.0103 (15) | −0.0239 (14) |
| O3W | 0.0445 (17) | 0.0404 (16) | 0.0471 (17) | 0.0023 (13) | −0.0078 (13) | −0.0270 (14) |
| O4W | 0.0373 (16) | 0.060 (2) | 0.0482 (17) | −0.0100 (14) | −0.0011 (13) | −0.0305 (16) |
| O5W | 0.0208 (13) | 0.0348 (14) | 0.0501 (17) | 0.0011 (11) | −0.0051 (11) | −0.0219 (13) |
| O6W | 0.0340 (15) | 0.0517 (18) | 0.0388 (16) | −0.0006 (13) | −0.0044 (12) | −0.0202 (14) |
| O7W | 0.0282 (14) | 0.0322 (14) | 0.0372 (14) | −0.0002 (11) | 0.0014 (11) | −0.0187 (12) |
| O8W | 0.0329 (14) | 0.0314 (14) | 0.0302 (14) | −0.0012 (11) | −0.0060 (11) | −0.0159 (11) |
| O9W | 0.0288 (13) | 0.0267 (13) | 0.0274 (13) | −0.0017 (10) | −0.0054 (10) | −0.0111 (11) |
| O10W | 0.0232 (12) | 0.0300 (13) | 0.0282 (13) | 0.0018 (10) | −0.0005 (10) | −0.0138 (11) |
| O11W | 0.0394 (15) | 0.0237 (13) | 0.0310 (14) | −0.0019 (11) | 0.0016 (11) | −0.0104 (11) |
Geometric parameters (Å, °) top
| Cu1—O8 | 2.028 (2) | C8—O5 | 1.249 (4) |
| Cu1—O11W | 2.040 (3) | C8—O6 | 1.260 (4) |
| Cu1—O10W | 2.052 (2) | C9—O4 | 1.247 (4) |
| Cu1—O9W | 2.061 (2) | C9—O3 | 1.256 (4) |
| Cu1—O8W | 2.086 (2) | O1W—H1W | 0.8400 |
| Cu1—O7W | 2.098 (3) | O1W—H2W | 0.8399 |
| Na1—O1W | 2.318 (4) | O2W—H3W | 0.8400 |
| Na1—O4W | 2.422 (3) | O2W—H4W | 0.8398 |
| Na1—O8W | 2.529 (3) | O3W—H5W | 0.8401 |
| Na1—O10W | 2.574 (3) | O3W—H6W | 0.8398 |
| Na1—O7Wi | 2.593 (3) | O4W—H7W | 0.8401 |
| Na1—O9Wi | 2.770 (3) | O4W—H8W | 0.8401 |
| N1—O2 | 1.222 (4) | O5W—H9W | 0.8401 |
| N1—O1 | 1.224 (4) | O5W—H10W | 0.8400 |
| N1—C6 | 1.464 (5) | O6W—H11W | 0.8399 |
| C1—O8 | 1.254 (4) | O6W—H12W | 0.8400 |
| C1—O7 | 1.256 (4) | O7W—Na1ii | 2.593 (3) |
| C1—C2 | 1.519 (5) | O7W—H13W | 0.8400 |
| C2—C7 | 1.378 (5) | O7W—H14W | 0.8399 |
| C2—C3 | 1.400 (5) | O8W—H15W | 0.8399 |
| C3—C4 | 1.400 (5) | O8W—H16W | 0.8399 |
| C3—C8 | 1.505 (5) | O9W—Na1ii | 2.769 (3) |
| C4—C5 | 1.386 (5) | O9W—H18W | 0.8398 |
| C4—C9 | 1.521 (5) | O9W—H17W | 0.8400 |
| C5—C6 | 1.372 (5) | O10W—H19W | 0.8398 |
| C5—H5 | 0.9300 | O10W—H20W | 0.8395 |
| C6—C7 | 1.382 (5) | O11W—H21W | 0.8400 |
| C7—H7 | 0.9300 | O11W—H22W | 0.8401 |
| | | |
| O8—Cu1—O11W | 174.07 (9) | C2—C3—C8 | 121.4 (3) |
| O8—Cu1—O10W | 89.57 (10) | C5—C4—C3 | 119.6 (3) |
| O11W—Cu1—O10W | 85.25 (11) | C5—C4—C9 | 118.6 (3) |
| O8—Cu1—O9W | 85.27 (10) | C3—C4—C9 | 121.8 (3) |
| O11W—Cu1—O9W | 92.50 (11) | C6—C5—C4 | 119.6 (3) |
| O10W—Cu1—O9W | 97.07 (10) | C6—C5—H5 | 120.2 |
| O8—Cu1—O8W | 91.76 (10) | C4—C5—H5 | 120.2 |
| O11W—Cu1—O8W | 90.54 (11) | C5—C6—C7 | 122.0 (3) |
| O10W—Cu1—O8W | 83.80 (10) | C5—C6—N1 | 119.5 (3) |
| O9W—Cu1—O8W | 176.89 (10) | C7—C6—N1 | 118.5 (3) |
| O8—Cu1—O7W | 94.30 (10) | C2—C7—C6 | 118.5 (3) |
| O11W—Cu1—O7W | 91.04 (11) | C2—C7—H7 | 120.8 |
| O10W—Cu1—O7W | 174.87 (10) | C6—C7—H7 | 120.8 |
| O9W—Cu1—O7W | 86.61 (10) | O5—C8—O6 | 125.2 (3) |
| O8W—Cu1—O7W | 92.71 (10) | O5—C8—C3 | 118.1 (3) |
| O8—Cu1—Na1 | 118.29 (8) | O6—C8—C3 | 116.7 (3) |
| O11W—Cu1—Na1 | 59.92 (9) | O4—C9—O3 | 126.4 (3) |
| O10W—Cu1—Na1 | 49.22 (8) | O4—C9—C4 | 117.4 (3) |
| O9W—Cu1—Na1 | 134.47 (8) | O3—C9—C4 | 116.2 (3) |
| O8W—Cu1—Na1 | 48.05 (8) | C1—O8—Cu1 | 128.3 (2) |
| O7W—Cu1—Na1 | 125.72 (8) | Na1—O1W—H1W | 128.5 |
| O1W—Na1—O4W | 90.19 (12) | Na1—O1W—H2W | 115.0 |
| O1W—Na1—O8W | 146.32 (13) | H1W—O1W—H2W | 114.4 |
| O4W—Na1—O8W | 91.74 (11) | H3W—O2W—H4W | 104.9 |
| O1W—Na1—O10W | 89.56 (13) | H5W—O3W—H6W | 105.6 |
| O4W—Na1—O10W | 134.16 (11) | Na1—O4W—H7W | 116.6 |
| O8W—Na1—O10W | 65.55 (9) | Na1—O4W—H8W | 107.4 |
| O1W—Na1—O7Wi | 121.61 (12) | H7W—O4W—H8W | 101.9 |
| O4W—Na1—O7Wi | 93.88 (11) | H9W—O5W—H10W | 112.6 |
| O8W—Na1—O7Wi | 91.80 (9) | H11W—O6W—H12W | 112.2 |
| O10W—Na1—O7Wi | 124.37 (10) | Cu1—O7W—Na1ii | 104.30 (11) |
| O1W—Na1—O9Wi | 76.07 (10) | Cu1—O7W—H13W | 97.3 |
| O4W—Na1—O9Wi | 139.84 (11) | Na1ii—O7W—H13W | 118.8 |
| O8W—Na1—O9Wi | 120.44 (10) | Cu1—O7W—H14W | 107.2 |
| O10W—Na1—O9Wi | 84.04 (8) | Na1ii—O7W—H14W | 127.7 |
| O7Wi—Na1—O9Wi | 64.18 (8) | H13W—O7W—H14W | 97.3 |
| O1W—Na1—O11W | 84.16 (11) | Cu1—O8W—Na1 | 94.13 (10) |
| O4W—Na1—O11W | 74.72 (10) | Cu1—O8W—H15W | 110.2 |
| O8W—Na1—O11W | 64.06 (9) | Na1—O8W—H15W | 118.7 |
| O10W—Na1—O11W | 59.67 (8) | Cu1—O8W—H16W | 105.0 |
| O7Wi—Na1—O11W | 152.36 (9) | Na1—O8W—H16W | 114.6 |
| O9Wi—Na1—O11W | 138.74 (9) | H15W—O8W—H16W | 111.7 |
| O1W—Na1—Cu1 | 109.05 (11) | Cu1—O9W—Na1ii | 99.58 (10) |
| O4W—Na1—Cu1 | 101.24 (9) | Cu1—O9W—H18W | 116.8 |
| O8W—Na1—Cu1 | 37.82 (6) | Na1ii—O9W—H18W | 97.8 |
| O10W—Na1—Cu1 | 37.12 (6) | Cu1—O9W—H17W | 107.5 |
| O7Wi—Na1—Cu1 | 126.89 (8) | Na1ii—O9W—H17W | 126.6 |
| O9Wi—Na1—Cu1 | 118.89 (7) | H18W—O9W—H17W | 108.9 |
| O11W—Na1—Cu1 | 36.68 (5) | Cu1—O10W—Na1 | 93.66 (10) |
| O2—N1—O1 | 124.0 (3) | Cu1—O10W—H19W | 99.1 |
| O2—N1—C6 | 118.0 (3) | Na1—O10W—H19W | 108.8 |
| O1—N1—C6 | 117.9 (3) | Cu1—O10W—H20W | 118.2 |
| O8—C1—O7 | 125.5 (3) | Na1—O10W—H20W | 119.7 |
| O8—C1—C2 | 116.4 (3) | H19W—O10W—H20W | 114.0 |
| O7—C1—C2 | 118.2 (3) | Cu1—O11W—H21W | 121.0 |
| C7—C2—C3 | 120.9 (3) | Na1—O11W—H21W | 99.5 |
| C7—C2—C1 | 118.4 (3) | Cu1—O11W—H22W | 118.5 |
| C3—C2—C1 | 120.7 (3) | Na1—O11W—H22W | 118.7 |
| C4—C3—C2 | 119.2 (3) | H21W—O11W—H22W | 111.2 |
| C4—C3—C8 | 119.4 (3) | | |
| Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z. |
Hydrogen-bond geometry (Å, °) top
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1W—H2W···O4iii | 0.84 | 2.06 | 2.883 (4) | 166 |
| O1W—H1W···O5iv | 0.84 | 2.19 | 2.932 (4) | 148 |
| O2W—H4W···O3 | 0.84 | 1.94 | 2.706 (4) | 151 |
| O2W—H3W···O6Wv | 0.84 | 1.91 | 2.741 (4) | 169 |
| O3W—H6W···O4Wiii | 0.84 | 2.09 | 2.863 (4) | 153 |
| O3W—H5W···O4 | 0.84 | 2.01 | 2.825 (4) | 164 |
| O4W—H8W···O3Wvi | 0.84 | 2.11 | 2.868 (4) | 149 |
| O4W—H7W···O3vii | 0.84 | 2.12 | 2.902 (4) | 155 |
| O5W—H10W···O1v | 0.84 | 2.60 | 3.174 (4) | 127 |
| O5W—H10W···O5 | 0.84 | 2.05 | 2.778 (4) | 145 |
| O5W—H9W···O6i | 0.84 | 1.89 | 2.711 (3) | 166 |
| O6W—H12W···O5W | 0.84 | 2.00 | 2.810 (4) | 161 |
| O6W—H11W···O7i | 0.84 | 1.91 | 2.716 (4) | 160 |
| O7W—H14W···O2Wvii | 0.84 | 1.98 | 2.788 (4) | 160 |
| O7W—H13W···O7 | 0.84 | 1.87 | 2.657 (4) | 156 |
| O8W—H16W···O2Wvii | 0.84 | 1.85 | 2.679 (4) | 171 |
| O8W—H15W···O6W | 0.84 | 1.95 | 2.774 (4) | 167 |
| O9W—H18W···O5iii | 0.84 | 1.82 | 2.647 (4) | 168 |
| O9W—H17W···O6 | 0.84 | 1.99 | 2.823 (3) | 175 |
| O10W—H19W···O5W | 0.84 | 1.85 | 2.674 (4) | 166 |
| O10W—H20W···O6iii | 0.84 | 1.88 | 2.704 (3) | 167 |
| O11W—H22W···O3Wvii | 0.84 | 1.85 | 2.670 (4) | 165 |
| O11W—H21W···O4iii | 0.84 | 1.98 | 2.776 (4) | 158 |
| Symmetry codes: (iii) −x+1, −y+2, −z+1; (iv) −x+2, −y+2, −z+1; (v) −x+1, −y+1, −z+2; (vi) x+1, y+1, z; (vii) x, y+1, z; (i) x+1, y, z. |
Table 1
Hydrogen-bond geometry (Å, °) top
| D—H···A | D—H | H···A | D···A | D—H···A |
| O1W—H2W···O4i | 0.84 | 2.06 | 2.883 (4) | 166 |
| O1W—H1W···O5ii | 0.84 | 2.19 | 2.932 (4) | 148 |
| O2W—H4W···O3 | 0.84 | 1.94 | 2.706 (4) | 151 |
| O2W—H3W···O6Wiii | 0.84 | 1.91 | 2.741 (4) | 169 |
| O3W—H6W···O4Wi | 0.84 | 2.09 | 2.863 (4) | 153 |
| O3W—H5W···O4 | 0.84 | 2.01 | 2.825 (4) | 164 |
| O4W—H8W···O3Wiv | 0.84 | 2.11 | 2.868 (4) | 149 |
| O4W—H7W···O3v | 0.84 | 2.12 | 2.902 (4) | 155 |
| O5W—H10W···O1iii | 0.84 | 2.60 | 3.174 (4) | 127 |
| O5W—H10W···O5 | 0.84 | 2.05 | 2.778 (4) | 145 |
| O5W—H9W···O6vi | 0.84 | 1.89 | 2.711 (3) | 166 |
| O6W—H12W···O5W | 0.84 | 2.00 | 2.810 (4) | 161 |
| O6W—H11W···O7vi | 0.84 | 1.91 | 2.716 (4) | 160 |
| O7W—H14W···O2Wv | 0.84 | 1.98 | 2.788 (4) | 160 |
| O7W—H13W···O7 | 0.84 | 1.87 | 2.657 (4) | 156 |
| O8W—H16W···O2Wv | 0.84 | 1.85 | 2.679 (4) | 171 |
| O8W—H15W···O6W | 0.84 | 1.95 | 2.774 (4) | 167 |
| O9W—H18W···O5i | 0.84 | 1.82 | 2.647 (4) | 168 |
| O9W—H17W···O6 | 0.84 | 1.99 | 2.823 (3) | 175 |
| O10W—H19W···O5W | 0.84 | 1.85 | 2.674 (4) | 166 |
| O10W—H20W···O6i | 0.84 | 1.88 | 2.704 (3) | 167 |
| O11W—H22W···O3Wv | 0.84 | 1.85 | 2.670 (4) | 165 |
| O11W—H21W···O4i | 0.84 | 1.98 | 2.776 (4) | 158 |
| Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+2, −y+2, −z+1; (iii) −x+1, −y+1, −z+2; (iv) x+1, y+1, z; (v) x, y+1, z; (vi) x+1, y, z. |
The authors gratefully acknowledge financial support by the Scientific Research
Innovation Foundation for youth teachers of Zhoukou Normal University.
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Recently, there has been much interest in the synthesis of metal coordination polymers, due to their possible application as microporous hosts for absorption or even as catalytic materials (Yaghi et al., 1995; Cheng et al.,2004). Herein, we report a new heteronuclear metal coordination polymer with the tricarboxylates, 5-Nitrobenzene-1,2,3-tricarboxylicacid (NBA) as the ligand, the copper (II) and sodium (I) as the metal ions.
As can be seen from the crystal structure in Fig.1, Cu and Na are connected via µ-O, O' coordination of water molecules, which structure is repeating unit along a axis, forming one-dimensional infinite chains, which chains along the a axis is built up through coordination between NBA, a part of water molecules and Cu(II), Na(I) (Fig.2). Through the forming of hydrogen bonds between chains and water molecules of the interchain, three-dimensional supermolecular structure is formed. The different chains are linked by an extensive hydrogen-bonding network (Table 1, Fig.3), through oxygen atoms of carboxylate and water molecule. Each of the water molecules has at least one hydrogen-bonding interaction, this leads to the formation of a stable three dimensional supramolecular structure.