| Literature DB >> 21589254 |
Rui-Qing Fan1, Cun-Fa Sun, Yu-Lin Yang.
Abstract
In the title centrosymmetric dinuclear complex, [Eu(2)(CHEntities:
Year: 2010 PMID: 21589254 PMCID: PMC3011772 DOI: 10.1107/S1600536810046131
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Eu2(C2H3O2)6(C12H8N2)2] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 3465 reflections |
| θ = 3.3–27.5° | |
| µ = 3.32 mm−1 | |
| β = 90.32 (3)° | Block, colorless |
| 0.20 × 0.10 × 0.08 mm | |
| Bruker APEX CCD diffractometer | 4324 independent reflections |
| Radiation source: fine-focus sealed tube | 2668 reflections with |
| graphite | |
| φ and ω scans | θmax = 27.5°, θmin = 3.3° |
| Absorption correction: multi-scan ( | |
| 18210 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 | |
| 4324 reflections | (Δ/σ)max < 0.001 |
| 244 parameters | Δρmax = 1.02 e Å−3 |
| 0 restraints | Δρmin = −0.90 e Å−3 |
| Eu1 | 0.13542 (4) | 0.060026 (13) | 0.95103 (4) | 0.03528 (13) | |
| O1 | 0.0766 (5) | 0.0993 (2) | 1.2170 (5) | 0.0495 (14) | |
| O2 | 0.1771 (6) | 0.0886 (2) | 0.6727 (6) | 0.0517 (14) | |
| O3 | 0.3281 (5) | 0.0295 (2) | 0.7710 (6) | 0.0507 (14) | |
| O4 | −0.0904 (5) | 0.08694 (18) | 0.8702 (6) | 0.0472 (13) | |
| O5 | −0.2383 (5) | 0.01441 (19) | 0.8964 (6) | 0.0458 (13) | |
| O6 | 0.0405 (5) | −0.02279 (18) | 0.8341 (5) | 0.0423 (12) | |
| N1 | 0.1482 (7) | 0.1713 (2) | 0.9431 (8) | 0.0511 (16) | |
| N2 | 0.3590 (6) | 0.1076 (2) | 1.0623 (7) | 0.0408 (14) | |
| C1 | 0.4668 (7) | 0.0771 (3) | 1.1138 (8) | 0.0431 (19) | |
| H1A | 0.4622 | 0.0380 | 1.1035 | 0.052* | |
| C2 | 0.5841 (8) | 0.1002 (3) | 1.1811 (9) | 0.053 (2) | |
| H2A | 0.6566 | 0.0772 | 1.2133 | 0.063* | |
| C3 | 0.5921 (9) | 0.1571 (3) | 1.1996 (10) | 0.066 (3) | |
| H3A | 0.6702 | 0.1733 | 1.2454 | 0.079* | |
| C4 | 0.4818 (8) | 0.1915 (3) | 1.1492 (10) | 0.055 (2) | |
| C5 | 0.4823 (11) | 0.2517 (4) | 1.1624 (12) | 0.084 (3) | |
| H5A | 0.5565 | 0.2694 | 1.2124 | 0.101* | |
| C6 | 0.3792 (11) | 0.2832 (4) | 1.1049 (12) | 0.086 (3) | |
| H6A | 0.3830 | 0.3222 | 1.1162 | 0.103* | |
| C7 | 0.2628 (9) | 0.2580 (3) | 1.0260 (10) | 0.064 (2) | |
| C8 | 0.1551 (10) | 0.2892 (3) | 0.9555 (11) | 0.075 (3) | |
| H8A | 0.1569 | 0.3285 | 0.9596 | 0.090* | |
| C9 | 0.0499 (11) | 0.2627 (3) | 0.8825 (12) | 0.083 (3) | |
| H9A | −0.0214 | 0.2831 | 0.8352 | 0.100* | |
| C10 | 0.0503 (10) | 0.2035 (3) | 0.8793 (10) | 0.067 (3) | |
| H10A | −0.0233 | 0.1855 | 0.8289 | 0.081* | |
| C11 | 0.2555 (8) | 0.1984 (3) | 1.0144 (9) | 0.049 (2) | |
| C12 | 0.3674 (8) | 0.1641 (3) | 1.0785 (8) | 0.0447 (19) | |
| C13 | −0.0119 (7) | 0.0640 (3) | 1.2593 (8) | 0.0391 (16) | |
| C14 | −0.0864 (8) | 0.0707 (3) | 1.4136 (8) | 0.055 (2) | |
| H14A | −0.1052 | 0.0342 | 1.4585 | 0.083* | |
| H14B | −0.1714 | 0.0903 | 1.3944 | 0.083* | |
| H14C | −0.0309 | 0.0921 | 1.4877 | 0.083* | |
| C15 | 0.2801 (8) | 0.0583 (3) | 0.6569 (9) | 0.0431 (17) | |
| C16 | 0.3468 (9) | 0.0548 (4) | 0.4946 (9) | 0.063 (2) | |
| H16A | 0.4343 | 0.0736 | 0.4982 | 0.095* | |
| H16B | 0.2889 | 0.0727 | 0.4156 | 0.095* | |
| H16C | 0.3600 | 0.0159 | 0.4661 | 0.095* | |
| C17 | −0.2064 (8) | 0.0637 (3) | 0.8529 (8) | 0.0422 (17) | |
| C18 | −0.3164 (8) | 0.0977 (3) | 0.7682 (9) | 0.056 (2) | |
| H18A | −0.3995 | 0.0759 | 0.7617 | 0.084* | |
| H18B | −0.2862 | 0.1071 | 0.6615 | 0.084* | |
| H18C | −0.3334 | 0.1318 | 0.8275 | 0.084* |
| Eu1 | 0.0401 (2) | 0.02511 (17) | 0.0406 (2) | −0.00140 (19) | −0.00452 (14) | −0.00032 (19) |
| O1 | 0.061 (4) | 0.044 (3) | 0.044 (3) | −0.015 (3) | 0.004 (3) | −0.011 (2) |
| O2 | 0.061 (4) | 0.045 (3) | 0.049 (3) | 0.014 (3) | −0.002 (3) | 0.005 (2) |
| O3 | 0.046 (3) | 0.056 (3) | 0.049 (3) | 0.011 (3) | −0.004 (3) | 0.002 (3) |
| O4 | 0.041 (3) | 0.036 (3) | 0.064 (3) | −0.003 (2) | −0.009 (3) | 0.007 (3) |
| O5 | 0.047 (3) | 0.030 (3) | 0.059 (3) | 0.000 (2) | −0.014 (3) | 0.008 (2) |
| O6 | 0.055 (3) | 0.027 (3) | 0.044 (3) | −0.005 (2) | −0.002 (2) | −0.011 (2) |
| N1 | 0.059 (4) | 0.033 (3) | 0.061 (4) | 0.001 (3) | −0.008 (3) | 0.001 (3) |
| N2 | 0.047 (4) | 0.033 (3) | 0.042 (3) | −0.006 (3) | 0.001 (3) | −0.001 (3) |
| C1 | 0.039 (5) | 0.035 (4) | 0.055 (5) | 0.002 (3) | −0.004 (4) | 0.003 (3) |
| C2 | 0.048 (5) | 0.049 (5) | 0.062 (5) | −0.003 (4) | −0.012 (4) | −0.006 (4) |
| C3 | 0.064 (6) | 0.055 (5) | 0.077 (6) | −0.007 (5) | −0.019 (5) | −0.014 (5) |
| C4 | 0.051 (5) | 0.039 (4) | 0.075 (6) | −0.008 (4) | −0.007 (4) | −0.002 (4) |
| C5 | 0.092 (8) | 0.046 (5) | 0.114 (8) | −0.016 (5) | −0.034 (7) | −0.012 (6) |
| C6 | 0.106 (9) | 0.033 (5) | 0.118 (9) | −0.011 (5) | −0.021 (7) | −0.015 (5) |
| C7 | 0.075 (7) | 0.035 (4) | 0.081 (6) | −0.002 (4) | −0.008 (5) | −0.003 (4) |
| C8 | 0.096 (8) | 0.031 (4) | 0.099 (7) | 0.010 (5) | −0.017 (6) | 0.005 (5) |
| C9 | 0.101 (8) | 0.038 (5) | 0.110 (8) | 0.014 (5) | −0.037 (7) | 0.006 (5) |
| C10 | 0.071 (7) | 0.045 (5) | 0.086 (6) | −0.002 (4) | −0.027 (5) | 0.006 (5) |
| C11 | 0.057 (5) | 0.028 (4) | 0.061 (5) | −0.009 (4) | 0.003 (4) | −0.003 (4) |
| C12 | 0.055 (5) | 0.031 (4) | 0.048 (4) | −0.006 (4) | 0.002 (4) | −0.001 (3) |
| C13 | 0.035 (4) | 0.037 (4) | 0.046 (4) | 0.000 (4) | −0.001 (3) | 0.000 (4) |
| C14 | 0.051 (5) | 0.073 (6) | 0.042 (4) | −0.006 (4) | 0.009 (4) | −0.015 (4) |
| C15 | 0.040 (4) | 0.031 (4) | 0.059 (5) | −0.007 (4) | −0.007 (4) | −0.003 (4) |
| C16 | 0.065 (6) | 0.074 (6) | 0.052 (5) | −0.001 (5) | 0.004 (4) | −0.001 (4) |
| C17 | 0.043 (4) | 0.038 (4) | 0.046 (4) | 0.009 (4) | 0.002 (3) | −0.001 (4) |
| C18 | 0.052 (6) | 0.059 (5) | 0.057 (5) | 0.003 (4) | −0.007 (4) | 0.011 (4) |
| Eu1—O1 | 2.465 (5) | C4—C12 | 1.412 (9) |
| Eu1—O2 | 2.443 (5) | C4—C5 | 1.428 (10) |
| Eu1—O3 | 2.509 (5) | C5—C6 | 1.335 (11) |
| Eu1—O4 | 2.380 (5) | C5—H5A | 0.9300 |
| Eu1—O5i | 2.387 (4) | C6—C7 | 1.434 (11) |
| Eu1—O6 | 2.372 (4) | C6—H6A | 0.9300 |
| Eu1—O6i | 2.630 (5) | C7—C8 | 1.407 (10) |
| Eu1—N1 | 2.639 (6) | C7—C11 | 1.414 (9) |
| Eu1—N2 | 2.613 (6) | C8—C9 | 1.342 (11) |
| O1—C13 | 1.251 (8) | C8—H8A | 0.9300 |
| O2—C15 | 1.240 (8) | C9—C10 | 1.401 (10) |
| O3—C15 | 1.254 (8) | C9—H9A | 0.9300 |
| O4—C17 | 1.262 (8) | C10—H10A | 0.9300 |
| O5—C17 | 1.261 (8) | C11—C12 | 1.456 (10) |
| O5—Eu1i | 2.387 (4) | C13—O6i | 1.276 (7) |
| O6—C13i | 1.276 (7) | C13—C14 | 1.484 (10) |
| O6—Eu1i | 2.630 (5) | C14—H14A | 0.9600 |
| N1—C10 | 1.328 (9) | C14—H14B | 0.9600 |
| N1—C11 | 1.358 (8) | C14—H14C | 0.9600 |
| N2—C1 | 1.342 (8) | C15—C16 | 1.501 (11) |
| N2—C12 | 1.346 (8) | C16—H16A | 0.9600 |
| C1—C2 | 1.381 (9) | C16—H16B | 0.9600 |
| C1—H1A | 0.9300 | C16—H16C | 0.9600 |
| C2—C3 | 1.356 (10) | C17—C18 | 1.509 (9) |
| C2—H2A | 0.9300 | C18—H18A | 0.9600 |
| C3—C4 | 1.409 (11) | C18—H18B | 0.9600 |
| C3—H3A | 0.9300 | C18—H18C | 0.9600 |
| O6—Eu1—O4 | 75.50 (15) | C2—C3—H3A | 120.1 |
| O6—Eu1—O5i | 76.58 (15) | C4—C3—H3A | 120.1 |
| O4—Eu1—O5i | 136.96 (17) | C3—C4—C12 | 117.0 (7) |
| O6—Eu1—O2 | 84.76 (16) | C3—C4—C5 | 123.5 (7) |
| O4—Eu1—O2 | 79.46 (18) | C12—C4—C5 | 119.5 (7) |
| O5i—Eu1—O2 | 129.42 (18) | C6—C5—C4 | 121.8 (8) |
| O6—Eu1—O1 | 125.90 (17) | C6—C5—H5A | 119.1 |
| O4—Eu1—O1 | 86.14 (18) | C4—C5—H5A | 119.1 |
| O5i—Eu1—O1 | 84.40 (17) | C5—C6—C7 | 121.3 (8) |
| O2—Eu1—O1 | 141.47 (16) | C5—C6—H6A | 119.3 |
| O6—Eu1—O3 | 78.98 (17) | C7—C6—H6A | 119.3 |
| O4—Eu1—O3 | 126.90 (16) | C8—C7—C11 | 117.3 (8) |
| O5i—Eu1—O3 | 77.95 (17) | C8—C7—C6 | 123.7 (8) |
| O2—Eu1—O3 | 52.29 (16) | C11—C7—C6 | 119.0 (8) |
| O1—Eu1—O3 | 145.03 (16) | C9—C8—C7 | 120.4 (8) |
| O6—Eu1—N2 | 145.30 (17) | C9—C8—H8A | 119.8 |
| O4—Eu1—N2 | 138.49 (16) | C7—C8—H8A | 119.8 |
| O5i—Eu1—N2 | 77.60 (16) | C8—C9—C10 | 118.3 (8) |
| O2—Eu1—N2 | 94.15 (18) | C8—C9—H9A | 120.9 |
| O1—Eu1—N2 | 73.60 (18) | C10—C9—H9A | 120.9 |
| O3—Eu1—N2 | 73.25 (18) | N1—C10—C9 | 124.7 (8) |
| O6—Eu1—O6i | 75.36 (17) | N1—C10—H10A | 117.7 |
| O4—Eu1—O6i | 71.21 (16) | C9—C10—H10A | 117.7 |
| O5i—Eu1—O6i | 70.45 (16) | N1—C11—C7 | 122.6 (7) |
| O2—Eu1—O6i | 147.77 (16) | N1—C11—C12 | 117.8 (6) |
| O1—Eu1—O6i | 50.54 (15) | C7—C11—C12 | 119.6 (7) |
| O3—Eu1—O6i | 142.95 (15) | N2—C12—C4 | 123.0 (7) |
| N2—Eu1—O6i | 116.62 (16) | N2—C12—C11 | 118.2 (6) |
| O6—Eu1—N1 | 146.45 (16) | C4—C12—C11 | 118.7 (6) |
| O4—Eu1—N1 | 76.66 (18) | O1—C13—O6i | 119.3 (7) |
| O5i—Eu1—N1 | 136.95 (16) | O1—C13—C14 | 120.7 (6) |
| O2—Eu1—N1 | 72.03 (18) | O6i—C13—C14 | 120.0 (7) |
| O1—Eu1—N1 | 69.92 (18) | C13—C14—H14A | 109.5 |
| O3—Eu1—N1 | 103.7 (2) | C13—C14—H14B | 109.5 |
| N2—Eu1—N1 | 62.53 (18) | H14A—C14—H14B | 109.5 |
| O6i—Eu1—N1 | 112.49 (18) | C13—C14—H14C | 109.5 |
| C13—O1—Eu1 | 99.3 (4) | H14A—C14—H14C | 109.5 |
| C15—O2—Eu1 | 94.4 (4) | H14B—C14—H14C | 109.5 |
| C15—O3—Eu1 | 91.0 (5) | O2—C15—O3 | 122.2 (7) |
| C17—O4—Eu1 | 137.6 (4) | O2—C15—C16 | 118.7 (7) |
| C17—O5—Eu1i | 137.0 (4) | O3—C15—C16 | 119.1 (7) |
| C13i—O6—Eu1 | 164.5 (5) | C15—C16—H16A | 109.5 |
| C13i—O6—Eu1i | 90.8 (4) | C15—C16—H16B | 109.5 |
| Eu1—O6—Eu1i | 104.64 (16) | H16A—C16—H16B | 109.5 |
| C10—N1—C11 | 116.8 (7) | C15—C16—H16C | 109.5 |
| C10—N1—Eu1 | 123.3 (5) | H16A—C16—H16C | 109.5 |
| C11—N1—Eu1 | 119.8 (4) | H16B—C16—H16C | 109.5 |
| C1—N2—C12 | 117.2 (6) | O4—C17—O5 | 126.3 (6) |
| C1—N2—Eu1 | 121.8 (4) | O4—C17—C18 | 116.8 (7) |
| C12—N2—Eu1 | 120.9 (5) | O5—C17—C18 | 116.9 (7) |
| N2—C1—C2 | 123.9 (7) | C17—C18—H18A | 109.5 |
| N2—C1—H1A | 118.1 | C17—C18—H18B | 109.5 |
| C2—C1—H1A | 118.1 | H18A—C18—H18B | 109.5 |
| C3—C2—C1 | 119.1 (7) | C17—C18—H18C | 109.5 |
| C3—C2—H2A | 120.5 | H18A—C18—H18C | 109.5 |
| C1—C2—H2A | 120.5 | H18B—C18—H18C | 109.5 |
| C2—C3—C4 | 119.9 (7) |
Selected bond lengths (Å)
| Eu1—O1 | 2.465 (5) |
| Eu1—O2 | 2.443 (5) |
| Eu1—O3 | 2.509 (5) |
| Eu1—O4 | 2.380 (5) |
| Eu1—O5i | 2.387 (4) |
| Eu1—O6 | 2.372 (4) |
| Eu1—O6i | 2.630 (5) |
| Eu1—N1 | 2.639 (6) |
| Eu1—N2 | 2.613 (6) |
Symmetry code: (i) .