| Literature DB >> 21588208 |
Lei Yang, Bing Li, Qing Xue, Yu Huo, Gaopeng Wang.
Abstract
In the title polymer, [Pb(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))](n), the Pb(II) ion displays a distorted pseudo-octa-hedral coordination geometry. The metal center is coordinated by six O atoms from four 5-chloro-salicylate ligands and two N atoms from a chelating phenanthroline ligand. The polymeric structure is built up from bridging carboxyl-ate O atoms, forming chains along [100]. The crystal structure is stabilized by π-π inter-actions between the 1,10-phenanthroline and 5-chloro-salicylate ligands, the shortest centroid-centroid separation between neighbouring aromatic rings being 3.652 (1) Å.Entities:
Year: 2010 PMID: 21588208 PMCID: PMC3007493 DOI: 10.1107/S1600536810023561
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Pb(C7H4ClO3)2(C12H8N2)] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 5987 reflections | |
| θ = 2.8–26.9° | |
| µ = 7.13 mm−1 | |
| α = 75.508 (1)° | |
| β = 86.302 (1)° | Block, yellow |
| γ = 68.342 (1)° | 0.28 × 0.25 × 0.24 mm |
| Bruker APEXII CCD diffractometer | 5987 independent reflections |
| Radiation source: fine-focus sealed tube | 5339 reflections with |
| graphite | |
| φ and ω scans | θmax = 28.2°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 21579 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 5987 reflections | (Δ/σ)max = 0.001 |
| 334 parameters | Δρmax = 1.18 e Å−3 |
| 0 restraints | Δρmin = −0.59 e Å−3 |
| 0 constraints |
| Pb1 | 0.258486 (14) | −0.038882 (12) | −0.001073 (10) | 0.03675 (5) | |
| Cl1 | 1.04796 (14) | −0.31797 (16) | 0.36720 (10) | 0.0779 (4) | |
| Cl2 | −0.2949 (2) | −0.0117 (2) | 0.47404 (14) | 0.1106 (6) | |
| O5 | 0.0025 (3) | 0.0001 (3) | 0.1216 (2) | 0.0495 (6) | |
| O1 | 0.5607 (4) | −0.1240 (3) | 0.0939 (2) | 0.0548 (7) | |
| O2 | 0.3533 (3) | −0.1567 (3) | 0.1750 (2) | 0.0569 (7) | |
| O4 | 0.1160 (4) | 0.1481 (3) | 0.1053 (2) | 0.0604 (8) | |
| N1 | 0.2350 (4) | −0.2615 (3) | 0.0256 (2) | 0.0423 (7) | |
| N2 | 0.4307 (4) | −0.1896 (3) | −0.1218 (3) | 0.0449 (7) | |
| C12 | 0.2979 (4) | −0.3371 (3) | −0.0407 (3) | 0.0394 (8) | |
| O3 | 0.3774 (4) | −0.2835 (5) | 0.3602 (3) | 0.0882 (13) | |
| H3B | 0.3326 | −0.2436 | 0.3043 | 0.132* | |
| C11 | 0.3981 (4) | −0.2980 (4) | −0.1197 (3) | 0.0409 (8) | |
| C13 | 0.5001 (4) | −0.1665 (3) | 0.1727 (3) | 0.0417 (8) | |
| C14 | 0.5973 (4) | −0.2334 (4) | 0.2701 (3) | 0.0421 (8) | |
| C15 | 0.5322 (5) | −0.2888 (6) | 0.3575 (3) | 0.0609 (12) | |
| C7 | 0.4610 (5) | −0.3747 (4) | −0.1912 (3) | 0.0509 (10) | |
| C8 | 0.5574 (6) | −0.3329 (5) | −0.2661 (4) | 0.0615 (12) | |
| H8A | 0.6005 | −0.3804 | −0.3148 | 0.074* | |
| O6 | 0.0401 (4) | 0.3062 (3) | 0.2185 (3) | 0.0704 (9) | |
| H6B | 0.0809 | 0.2756 | 0.1702 | 0.106* | |
| C21 | −0.0455 (4) | 0.1217 (4) | 0.2486 (3) | 0.0419 (8) | |
| C4 | 0.2689 (5) | −0.4538 (4) | −0.0344 (4) | 0.0496 (9) | |
| C1 | 0.1447 (5) | −0.2992 (4) | 0.0995 (3) | 0.0506 (9) | |
| H1A | 0.1000 | −0.2465 | 0.1446 | 0.061* | |
| C22 | −0.0349 (5) | 0.2293 (5) | 0.2767 (3) | 0.0512 (10) | |
| C19 | 0.7579 (5) | −0.2452 (4) | 0.2740 (3) | 0.0449 (8) | |
| H19A | 0.8040 | −0.2107 | 0.2160 | 0.054* | |
| C20 | 0.0289 (4) | 0.0873 (4) | 0.1522 (3) | 0.0447 (9) | |
| C9 | 0.5890 (6) | −0.2234 (5) | −0.2688 (4) | 0.0634 (12) | |
| H9A | 0.6523 | −0.1946 | −0.3191 | 0.076* | |
| C2 | 0.1143 (6) | −0.4148 (5) | 0.1118 (4) | 0.0590 (11) | |
| H2A | 0.0533 | −0.4396 | 0.1655 | 0.071* | |
| C10 | 0.5239 (5) | −0.1554 (5) | −0.1941 (3) | 0.0551 (10) | |
| H10A | 0.5475 | −0.0814 | −0.1952 | 0.066* | |
| C26 | −0.1257 (5) | 0.0475 (4) | 0.3101 (3) | 0.0510 (9) | |
| H26A | −0.1347 | −0.0236 | 0.2916 | 0.061* | |
| C3 | 0.1744 (6) | −0.4899 (4) | 0.0450 (4) | 0.0616 (12) | |
| H3A | 0.1529 | −0.5660 | 0.0517 | 0.074* | |
| C5 | 0.3351 (6) | −0.5275 (5) | −0.1086 (4) | 0.0664 (13) | |
| H5A | 0.3147 | −0.6033 | −0.1054 | 0.080* | |
| C6 | 0.4259 (6) | −0.4894 (5) | −0.1825 (4) | 0.0660 (13) | |
| H6A | 0.4673 | −0.5396 | −0.2297 | 0.079* | |
| C25 | −0.1914 (6) | 0.0793 (5) | 0.3981 (3) | 0.0638 (12) | |
| C24 | −0.1821 (6) | 0.1881 (6) | 0.4256 (4) | 0.0740 (15) | |
| H24A | −0.2285 | 0.2099 | 0.4851 | 0.089* | |
| C23 | −0.1051 (6) | 0.2610 (6) | 0.3650 (4) | 0.0688 (13) | |
| H23A | −0.0993 | 0.3335 | 0.3830 | 0.083* | |
| C18 | 0.8483 (5) | −0.3069 (5) | 0.3622 (3) | 0.0616 (12) | |
| C17 | 0.7827 (7) | −0.3620 (7) | 0.4485 (4) | 0.0867 (19) | |
| H17A | 0.8447 | −0.4035 | 0.5085 | 0.104* | |
| C16 | 0.6277 (7) | −0.3553 (7) | 0.4453 (4) | 0.090 (2) | |
| H16A | 0.5853 | −0.3956 | 0.5025 | 0.108* |
| Pb1 | 0.03379 (8) | 0.04199 (8) | 0.03692 (8) | −0.01778 (5) | 0.00344 (5) | −0.00846 (5) |
| Cl1 | 0.0494 (6) | 0.1113 (10) | 0.0641 (8) | −0.0373 (7) | −0.0139 (5) | 0.0104 (7) |
| Cl2 | 0.1064 (12) | 0.1390 (15) | 0.0809 (10) | −0.0634 (11) | 0.0396 (9) | 0.0020 (10) |
| O5 | 0.0489 (15) | 0.0541 (15) | 0.0449 (16) | −0.0154 (13) | −0.0012 (12) | −0.0156 (13) |
| O1 | 0.0612 (18) | 0.0596 (17) | 0.0402 (16) | −0.0272 (15) | −0.0072 (13) | 0.0037 (13) |
| O2 | 0.0420 (15) | 0.0743 (19) | 0.0543 (18) | −0.0233 (14) | −0.0065 (13) | −0.0106 (15) |
| O4 | 0.0583 (18) | 0.072 (2) | 0.0588 (19) | −0.0311 (16) | 0.0224 (15) | −0.0228 (16) |
| N1 | 0.0386 (16) | 0.0421 (15) | 0.0465 (18) | −0.0169 (13) | 0.0001 (13) | −0.0076 (13) |
| N2 | 0.0396 (16) | 0.0503 (18) | 0.0479 (19) | −0.0189 (14) | 0.0051 (14) | −0.0144 (15) |
| C12 | 0.0337 (17) | 0.0355 (17) | 0.044 (2) | −0.0068 (14) | −0.0094 (15) | −0.0072 (14) |
| O3 | 0.054 (2) | 0.168 (4) | 0.055 (2) | −0.063 (2) | 0.0100 (16) | −0.016 (2) |
| C11 | 0.0334 (17) | 0.0426 (18) | 0.043 (2) | −0.0090 (15) | −0.0082 (15) | −0.0089 (15) |
| C13 | 0.0431 (19) | 0.0386 (18) | 0.046 (2) | −0.0132 (15) | −0.0020 (16) | −0.0157 (16) |
| C14 | 0.0409 (19) | 0.051 (2) | 0.038 (2) | −0.0194 (16) | 0.0004 (15) | −0.0123 (16) |
| C15 | 0.052 (2) | 0.097 (4) | 0.042 (2) | −0.037 (2) | 0.0066 (19) | −0.017 (2) |
| C7 | 0.047 (2) | 0.049 (2) | 0.048 (2) | −0.0041 (17) | −0.0109 (18) | −0.0144 (18) |
| C8 | 0.059 (3) | 0.073 (3) | 0.045 (2) | −0.010 (2) | 0.003 (2) | −0.023 (2) |
| O6 | 0.068 (2) | 0.075 (2) | 0.085 (3) | −0.0421 (18) | 0.0217 (18) | −0.0284 (19) |
| C21 | 0.0324 (17) | 0.054 (2) | 0.0364 (19) | −0.0137 (16) | −0.0002 (14) | −0.0095 (16) |
| C4 | 0.050 (2) | 0.0374 (19) | 0.058 (2) | −0.0137 (17) | −0.0157 (19) | −0.0045 (17) |
| C1 | 0.050 (2) | 0.051 (2) | 0.050 (2) | −0.0226 (18) | 0.0022 (18) | −0.0045 (18) |
| C22 | 0.038 (2) | 0.065 (3) | 0.052 (2) | −0.0196 (19) | 0.0005 (17) | −0.016 (2) |
| C19 | 0.0416 (19) | 0.052 (2) | 0.039 (2) | −0.0193 (17) | 0.0012 (16) | −0.0035 (16) |
| C20 | 0.0338 (18) | 0.055 (2) | 0.040 (2) | −0.0095 (16) | −0.0021 (15) | −0.0103 (17) |
| C9 | 0.053 (3) | 0.079 (3) | 0.055 (3) | −0.020 (2) | 0.010 (2) | −0.017 (2) |
| C2 | 0.054 (2) | 0.058 (3) | 0.061 (3) | −0.029 (2) | 0.000 (2) | 0.005 (2) |
| C10 | 0.050 (2) | 0.064 (3) | 0.056 (3) | −0.026 (2) | 0.014 (2) | −0.018 (2) |
| C26 | 0.044 (2) | 0.061 (2) | 0.046 (2) | −0.0218 (19) | 0.0014 (17) | −0.0048 (18) |
| C3 | 0.061 (3) | 0.046 (2) | 0.078 (3) | −0.027 (2) | −0.011 (2) | −0.003 (2) |
| C5 | 0.072 (3) | 0.045 (2) | 0.085 (4) | −0.019 (2) | −0.014 (3) | −0.021 (2) |
| C6 | 0.073 (3) | 0.054 (2) | 0.069 (3) | −0.010 (2) | −0.007 (3) | −0.029 (2) |
| C25 | 0.052 (2) | 0.088 (3) | 0.043 (2) | −0.028 (2) | 0.0101 (19) | 0.000 (2) |
| C24 | 0.061 (3) | 0.111 (4) | 0.047 (3) | −0.022 (3) | 0.012 (2) | −0.030 (3) |
| C23 | 0.065 (3) | 0.087 (3) | 0.063 (3) | −0.028 (3) | 0.011 (2) | −0.036 (3) |
| C18 | 0.049 (2) | 0.090 (3) | 0.044 (2) | −0.033 (2) | −0.0051 (19) | −0.001 (2) |
| C17 | 0.068 (3) | 0.146 (6) | 0.042 (3) | −0.053 (4) | −0.011 (2) | 0.010 (3) |
| C16 | 0.078 (4) | 0.157 (6) | 0.040 (3) | −0.067 (4) | 0.001 (2) | 0.006 (3) |
| Pb1—O2 | 2.458 (3) | C8—H8A | 0.9300 |
| Pb1—O5 | 2.703 (3) | O6—C22 | 1.358 (6) |
| Pb1—O4 | 2.734 (3) | O6—H6B | 0.8200 |
| Pb1—O5i | 2.768 (3) | C21—C26 | 1.388 (6) |
| Pb1—O1 | 2.785 (3) | C21—C22 | 1.399 (6) |
| Pb1—O1ii | 2.887 (3) | C21—C20 | 1.502 (5) |
| Pb1—N1 | 2.534 (3) | C4—C3 | 1.398 (7) |
| Pb1—N2 | 2.662 (3) | C4—C5 | 1.426 (7) |
| Cl1—C18 | 1.742 (4) | C1—C2 | 1.397 (6) |
| Cl2—C25 | 1.737 (5) | C1—H1A | 0.9300 |
| O5—C20 | 1.259 (5) | C22—C23 | 1.382 (6) |
| O5—Pb1i | 2.768 (3) | C19—C18 | 1.364 (6) |
| O1—C13 | 1.235 (5) | C19—H19A | 0.9300 |
| O1—Pb1ii | 2.887 (3) | C9—C10 | 1.393 (7) |
| O2—C13 | 1.270 (5) | C9—H9A | 0.9300 |
| O4—C20 | 1.261 (5) | C2—C3 | 1.348 (7) |
| N1—C1 | 1.331 (5) | C2—H2A | 0.9300 |
| N1—C12 | 1.350 (5) | C10—H10A | 0.9300 |
| N2—C10 | 1.321 (5) | C26—C25 | 1.366 (6) |
| N2—C11 | 1.353 (5) | C26—H26A | 0.9300 |
| C12—C4 | 1.416 (5) | C3—H3A | 0.9300 |
| C12—C11 | 1.439 (5) | C5—C6 | 1.336 (8) |
| O3—C15 | 1.357 (5) | C5—H5A | 0.9300 |
| O3—H3B | 0.8200 | C6—H6A | 0.9300 |
| C11—C7 | 1.415 (5) | C25—C24 | 1.402 (8) |
| C13—C14 | 1.495 (5) | C24—C23 | 1.354 (8) |
| C14—C19 | 1.390 (5) | C24—H24A | 0.9300 |
| C14—C15 | 1.395 (6) | C23—H23A | 0.9300 |
| C15—C16 | 1.386 (7) | C18—C17 | 1.385 (7) |
| C7—C8 | 1.394 (7) | C17—C16 | 1.358 (7) |
| C7—C6 | 1.417 (7) | C17—H17A | 0.9300 |
| C8—C9 | 1.358 (7) | C16—H16A | 0.9300 |
| O2—Pb1—N1 | 74.00 (10) | O2—C13—C14 | 116.7 (4) |
| O2—Pb1—N2 | 107.51 (10) | O1—C13—Pb1 | 68.5 (2) |
| N1—Pb1—N2 | 63.52 (10) | O2—C13—Pb1 | 53.5 (2) |
| O2—Pb1—O5 | 70.89 (9) | C14—C13—Pb1 | 170.2 (3) |
| N1—Pb1—O5 | 81.85 (9) | C19—C14—C15 | 118.5 (4) |
| N2—Pb1—O5 | 143.50 (9) | C19—C14—C13 | 120.0 (3) |
| O2—Pb1—O4 | 76.94 (10) | C15—C14—C13 | 121.5 (3) |
| N1—Pb1—O4 | 128.10 (10) | O3—C15—C16 | 117.5 (4) |
| N2—Pb1—O4 | 168.25 (9) | O3—C15—C14 | 122.5 (4) |
| O5—Pb1—O4 | 48.05 (9) | C16—C15—C14 | 120.0 (4) |
| O2—Pb1—O5i | 135.16 (9) | C8—C7—C11 | 117.1 (4) |
| N1—Pb1—O5i | 73.83 (9) | C8—C7—C6 | 123.7 (4) |
| N2—Pb1—O5i | 84.71 (9) | C11—C7—C6 | 119.2 (4) |
| O5—Pb1—O5i | 74.36 (9) | C9—C8—C7 | 120.6 (4) |
| O4—Pb1—O5i | 99.85 (9) | C9—C8—H8A | 119.7 |
| O2—Pb1—O1 | 48.91 (9) | C7—C8—H8A | 119.7 |
| N1—Pb1—O1 | 97.78 (9) | C22—O6—H6B | 109.5 |
| N2—Pb1—O1 | 81.42 (10) | C26—C21—C22 | 119.5 (4) |
| O5—Pb1—O1 | 116.23 (9) | C26—C21—C20 | 120.4 (4) |
| O4—Pb1—O1 | 94.20 (10) | C22—C21—C20 | 120.1 (4) |
| O5i—Pb1—O1 | 165.95 (9) | C3—C4—C12 | 117.3 (4) |
| O2—Pb1—O1ii | 111.66 (9) | C3—C4—C5 | 123.5 (4) |
| N1—Pb1—O1ii | 145.69 (10) | C12—C4—C5 | 119.2 (4) |
| N2—Pb1—O1ii | 83.09 (9) | N1—C1—C2 | 122.6 (4) |
| O5—Pb1—O1ii | 132.42 (9) | N1—C1—H1A | 118.7 |
| O4—Pb1—O1ii | 85.17 (9) | C2—C1—H1A | 118.7 |
| O5i—Pb1—O1ii | 112.58 (8) | O6—C22—C23 | 118.4 (4) |
| O1—Pb1—O1ii | 68.01 (9) | O6—C22—C21 | 121.9 (4) |
| O2—Pb1—C13 | 24.55 (10) | C23—C22—C21 | 119.7 (4) |
| N1—Pb1—C13 | 85.87 (10) | C18—C19—C14 | 120.6 (4) |
| N2—Pb1—C13 | 94.97 (10) | C18—C19—H19A | 119.7 |
| O5—Pb1—C13 | 93.59 (10) | C14—C19—H19A | 119.7 |
| O4—Pb1—C13 | 84.95 (10) | O5—C20—O4 | 122.8 (4) |
| O5i—Pb1—C13 | 157.51 (10) | O5—C20—C21 | 119.4 (4) |
| O1—Pb1—C13 | 24.36 (9) | O4—C20—C21 | 117.8 (4) |
| O1ii—Pb1—C13 | 89.63 (10) | O5—C20—Pb1 | 62.0 (2) |
| O2—Pb1—C20 | 68.44 (10) | O4—C20—Pb1 | 63.4 (2) |
| N1—Pb1—C20 | 103.98 (11) | C21—C20—Pb1 | 163.5 (2) |
| N2—Pb1—C20 | 167.39 (11) | C8—C9—C10 | 118.2 (5) |
| O5—Pb1—C20 | 24.29 (10) | C8—C9—H9A | 120.9 |
| O4—Pb1—C20 | 24.36 (10) | C10—C9—H9A | 120.9 |
| O5i—Pb1—C20 | 90.21 (9) | C3—C2—C1 | 119.2 (4) |
| O1—Pb1—C20 | 102.90 (9) | C3—C2—H2A | 120.4 |
| O1ii—Pb1—C20 | 109.53 (11) | C1—C2—H2A | 120.4 |
| C13—Pb1—C20 | 85.33 (10) | N2—C10—C9 | 124.0 (5) |
| O2—Pb1—Pb1i | 104.32 (7) | N2—C10—H10A | 118.0 |
| N1—Pb1—Pb1i | 74.65 (7) | C9—C10—H10A | 118.0 |
| N2—Pb1—Pb1i | 116.10 (7) | C25—C26—C21 | 119.7 (4) |
| O5—Pb1—Pb1i | 37.70 (6) | C25—C26—H26A | 120.1 |
| O4—Pb1—Pb1i | 72.18 (7) | C21—C26—H26A | 120.1 |
| O5i—Pb1—Pb1i | 36.66 (6) | C2—C3—C4 | 120.3 (4) |
| O1—Pb1—Pb1i | 152.88 (6) | C2—C3—H3A | 119.8 |
| O1ii—Pb1—Pb1i | 131.46 (6) | C4—C3—H3A | 119.8 |
| C13—Pb1—Pb1i | 128.72 (8) | C6—C5—C4 | 121.2 (4) |
| C20—Pb1—Pb1i | 55.75 (7) | C6—C5—H5A | 119.4 |
| C20—O5—Pb1 | 93.7 (2) | C4—C5—H5A | 119.4 |
| C20—O5—Pb1i | 126.0 (2) | C5—C6—C7 | 121.9 (4) |
| Pb1—O5—Pb1i | 105.64 (9) | C5—C6—H6A | 119.0 |
| C13—O1—Pb1 | 87.2 (2) | C7—C6—H6A | 119.0 |
| C13—O1—Pb1ii | 145.9 (3) | C26—C25—C24 | 120.7 (4) |
| Pb1—O1—Pb1ii | 111.99 (9) | C26—C25—Cl2 | 119.8 (4) |
| C13—O2—Pb1 | 101.9 (3) | C24—C25—Cl2 | 119.5 (4) |
| C20—O4—Pb1 | 92.2 (2) | C23—C24—C25 | 119.5 (4) |
| C1—N1—C12 | 118.6 (3) | C23—C24—H24A | 120.3 |
| C1—N1—Pb1 | 119.9 (3) | C25—C24—H24A | 120.3 |
| C12—N1—Pb1 | 121.1 (2) | C24—C23—C22 | 120.9 (5) |
| C10—N2—C11 | 117.9 (4) | C24—C23—H23A | 119.6 |
| C10—N2—Pb1 | 124.7 (3) | C22—C23—H23A | 119.6 |
| C11—N2—Pb1 | 116.5 (2) | C19—C18—C17 | 120.4 (4) |
| N1—C12—C4 | 121.9 (4) | C19—C18—Cl1 | 120.3 (3) |
| N1—C12—C11 | 118.9 (3) | C17—C18—Cl1 | 119.3 (4) |
| C4—C12—C11 | 119.2 (4) | C16—C17—C18 | 119.9 (5) |
| C15—O3—H3B | 109.5 | C16—C17—H17A | 120.1 |
| N2—C11—C7 | 122.2 (4) | C18—C17—H17A | 120.1 |
| N2—C11—C12 | 118.5 (3) | C17—C16—C15 | 120.5 (5) |
| C7—C11—C12 | 119.3 (4) | C17—C16—H16A | 119.8 |
| O1—C13—O2 | 122.0 (4) | C15—C16—H16A | 119.8 |
| O1—C13—C14 | 121.3 (3) |