| Literature DB >> 21582380 |
Jing-Chun Xing1, Yong-Mei Xu, Xiao-Guang Cui, Wen-Zhi Li.
Abstract
In the title complex, [CuLu(C(19)H(20)N(2)O(4))(NO(3))(3)]·CH(3)COCH(3), the Cu(II) ion is four-coordinated in a square-planar geometry by two O atoms and two N atoms from the deprotonated Schiff base. The Lu(III) ion is ten-coordinate, chelated by three nitrate groups and linked to the four O atoms of the deprotonated Schiff base. A mol-ecule of acetone is present as a solvate.Entities:
Year: 2009 PMID: 21582380 PMCID: PMC2968995 DOI: 10.1107/S1600536809009581
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [CuLu(C19H20N2O4)(NO3)3]·C3H6O | |
| Triclinic, | |
| Hall symbol: -p 1 | Mo |
| Cell parameters from 12159 reflections | |
| θ = 3.2–27.4° | |
| µ = 4.33 mm−1 | |
| α = 73.03 (3)° | |
| β = 87.04 (3)° | Prism, green |
| γ = 72.32 (3)° | 0.34 × 0.28 × 0.20 mm |
| Rigaku R-AXIS RAPID diffractometer | 6345 independent reflections |
| Radiation source: fine-focus sealed tube | 5817 reflections with |
| graphite | |
| Detector resolution: 10.000 pixels mm-1 | θmax = 27.4°, θmin = 3.2° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 13735 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 | |
| 6345 reflections | (Δ/σ)max = 0.001 |
| 392 parameters | Δρmax = 4.51 e Å−3 |
| 0 restraints | Δρmin = −2.38 e Å−3 |
| 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 |
| Lu1 | 0.284988 (19) | 0.378525 (16) | 0.234889 (13) | 0.03573 (12) | |
| Cu1 | 0.24429 (6) | 0.25725 (5) | 0.49539 (4) | 0.03148 (15) | |
| O1 | 0.0395 (4) | 0.5365 (3) | 0.1965 (3) | 0.0382 (7) | |
| O2 | 0.1287 (3) | 0.3741 (3) | 0.3751 (3) | 0.0353 (7) | |
| O3 | 0.4010 (4) | 0.2710 (3) | 0.3973 (3) | 0.0403 (8) | |
| O4 | 0.5591 (4) | 0.3498 (3) | 0.2448 (3) | 0.0399 (8) | |
| O5 | 0.4248 (4) | 0.2376 (4) | 0.1369 (3) | 0.0477 (9) | |
| O6 | 0.3037 (4) | 0.4173 (3) | 0.0479 (3) | 0.0435 (8) | |
| O7 | 0.4124 (6) | 0.2842 (5) | −0.0318 (4) | 0.0645 (12) | |
| O8 | 0.0996 (4) | 0.2996 (3) | 0.1767 (3) | 0.0481 (9) | |
| O9 | 0.2459 (6) | 0.1682 (4) | 0.3012 (4) | 0.0527 (10) | |
| O10 | 0.0812 (6) | 0.1186 (4) | 0.2316 (5) | 0.0691 (13) | |
| O11 | 0.3233 (5) | 0.5776 (4) | 0.1485 (3) | 0.0468 (9) | |
| O12 | 0.3121 (5) | 0.5301 (4) | 0.3144 (3) | 0.0473 (9) | |
| O13 | 0.3323 (6) | 0.7056 (4) | 0.2309 (4) | 0.0687 (13) | |
| O14 | 0.2009 (10) | 0.0886 (5) | −0.0752 (5) | 0.103 (2) | |
| N1 | 0.0629 (5) | 0.2641 (4) | 0.5757 (3) | 0.0351 (8) | |
| N2 | 0.3899 (5) | 0.1300 (4) | 0.6000 (3) | 0.0434 (10) | |
| N3 | 0.3804 (5) | 0.3120 (4) | 0.0479 (3) | 0.0405 (9) | |
| N4 | 0.1412 (5) | 0.1922 (4) | 0.2357 (4) | 0.0467 (10) | |
| N5 | 0.3232 (5) | 0.6071 (4) | 0.2308 (4) | 0.0446 (10) | |
| C1 | −0.0128 (7) | 0.6110 (5) | 0.0917 (4) | 0.0504 (14) | |
| H1A | −0.0932 | 0.5887 | 0.0704 | 0.076* | |
| H1B | 0.0677 | 0.5989 | 0.0454 | 0.076* | |
| H1C | −0.0472 | 0.6945 | 0.0900 | 0.076* | |
| C2 | −0.0664 (5) | 0.5331 (4) | 0.2710 (4) | 0.0317 (9) | |
| C3 | −0.2132 (5) | 0.6058 (4) | 0.2582 (4) | 0.0392 (11) | |
| H3 | −0.2483 | 0.6626 | 0.1948 | 0.047* | |
| C4 | −0.3080 (6) | 0.5938 (5) | 0.3400 (5) | 0.0475 (13) | |
| H4 | −0.4068 | 0.6428 | 0.3307 | 0.057* | |
| C5 | −0.2588 (5) | 0.5114 (5) | 0.4338 (5) | 0.0431 (11) | |
| H5 | −0.3230 | 0.5053 | 0.4884 | 0.052* | |
| C6 | −0.1076 (5) | 0.4343 (4) | 0.4478 (4) | 0.0329 (9) | |
| C7 | −0.0127 (5) | 0.4448 (4) | 0.3680 (4) | 0.0306 (9) | |
| C8 | −0.0661 (6) | 0.3413 (4) | 0.5460 (4) | 0.0366 (10) | |
| H8 | −0.1414 | 0.3370 | 0.5930 | 0.044* | |
| C9 | 0.0686 (7) | 0.1741 (6) | 0.6806 (4) | 0.0483 (13) | |
| H9A | 0.0916 | 0.2063 | 0.7335 | 0.058* | |
| H9B | −0.0286 | 0.1618 | 0.6938 | 0.058* | |
| C10 | 0.1835 (9) | 0.0554 (5) | 0.6873 (5) | 0.0611 (18) | |
| H10A | 0.1643 | −0.0060 | 0.7461 | 0.073* | |
| H10B | 0.1747 | 0.0327 | 0.6253 | 0.073* | |
| C11 | 0.3383 (9) | 0.0592 (7) | 0.6987 (5) | 0.074 (2) | |
| H11A | 0.4056 | −0.0228 | 0.7192 | 0.089* | |
| H11B | 0.3427 | 0.0954 | 0.7532 | 0.089* | |
| C12 | 0.5322 (6) | 0.1036 (5) | 0.5942 (4) | 0.0448 (12) | |
| H12 | 0.5884 | 0.0450 | 0.6507 | 0.054* | |
| C13 | 0.6154 (6) | 0.1550 (5) | 0.5092 (4) | 0.0359 (10) | |
| C14 | 0.7742 (6) | 0.1170 (5) | 0.5217 (5) | 0.0493 (14) | |
| H14 | 0.8203 | 0.0640 | 0.5842 | 0.059* | |
| C15 | 0.8573 (6) | 0.1570 (5) | 0.4444 (5) | 0.0478 (13) | |
| H15 | 0.9607 | 0.1315 | 0.4538 | 0.057* | |
| C16 | 0.7909 (5) | 0.2370 (5) | 0.3490 (5) | 0.0412 (11) | |
| H16 | 0.8500 | 0.2646 | 0.2960 | 0.049* | |
| C17 | 0.6381 (5) | 0.2743 (4) | 0.3346 (4) | 0.0332 (9) | |
| C18 | 0.5478 (5) | 0.2331 (4) | 0.4165 (4) | 0.0318 (9) | |
| C19 | 0.6444 (7) | 0.3885 (6) | 0.1579 (4) | 0.0481 (13) | |
| H19A | 0.6959 | 0.4395 | 0.1727 | 0.072* | |
| H19B | 0.5787 | 0.4328 | 0.0980 | 0.072* | |
| H19C | 0.7157 | 0.3192 | 0.1447 | 0.072* | |
| C20 | 0.3366 (11) | −0.0190 (7) | 0.0837 (7) | 0.080 (2) | |
| H20A | 0.4065 | 0.0260 | 0.0620 | 0.119* | |
| H20B | 0.3899 | −0.1032 | 0.1118 | 0.119* | |
| H20C | 0.2755 | 0.0094 | 0.1357 | 0.119* | |
| C21 | 0.2387 (9) | −0.0020 (7) | −0.0081 (6) | 0.0687 (19) | |
| C22 | 0.1964 (15) | −0.1131 (9) | −0.0076 (9) | 0.104 (4) | |
| H22A | 0.1282 | −0.1280 | 0.0464 | 0.156* | |
| H22B | 0.2846 | −0.1817 | 0.0044 | 0.156* | |
| H22C | 0.1497 | −0.1001 | −0.0733 | 0.156* |
| Lu1 | 0.03318 (16) | 0.03674 (17) | 0.02788 (16) | −0.00642 (11) | −0.00080 (10) | 0.00064 (11) |
| Cu1 | 0.0320 (3) | 0.0311 (3) | 0.0231 (3) | −0.0067 (2) | −0.0002 (2) | 0.0016 (2) |
| O1 | 0.0325 (16) | 0.0387 (18) | 0.0285 (16) | −0.0012 (14) | −0.0070 (13) | 0.0040 (14) |
| O2 | 0.0273 (15) | 0.0370 (17) | 0.0294 (16) | −0.0032 (13) | 0.0015 (12) | 0.0019 (14) |
| O3 | 0.0262 (15) | 0.051 (2) | 0.0274 (16) | −0.0050 (14) | −0.0056 (13) | 0.0061 (15) |
| O4 | 0.0310 (17) | 0.046 (2) | 0.0342 (18) | −0.0116 (15) | 0.0022 (14) | 0.0008 (16) |
| O5 | 0.047 (2) | 0.047 (2) | 0.041 (2) | −0.0047 (16) | −0.0034 (16) | −0.0095 (17) |
| O6 | 0.055 (2) | 0.0403 (19) | 0.0288 (17) | −0.0128 (16) | 0.0039 (15) | −0.0030 (15) |
| O7 | 0.070 (3) | 0.080 (3) | 0.043 (2) | −0.017 (2) | 0.007 (2) | −0.026 (2) |
| O8 | 0.0387 (19) | 0.044 (2) | 0.053 (2) | −0.0106 (16) | −0.0028 (17) | −0.0020 (18) |
| O9 | 0.063 (3) | 0.038 (2) | 0.049 (2) | −0.015 (2) | 0.004 (2) | −0.0001 (19) |
| O10 | 0.067 (3) | 0.060 (3) | 0.096 (4) | −0.038 (2) | 0.022 (3) | −0.030 (3) |
| O11 | 0.054 (2) | 0.044 (2) | 0.038 (2) | −0.0193 (18) | −0.0003 (17) | 0.0013 (17) |
| O12 | 0.056 (2) | 0.046 (2) | 0.0371 (19) | −0.0160 (18) | 0.0024 (17) | −0.0075 (17) |
| O13 | 0.089 (4) | 0.044 (2) | 0.074 (3) | −0.025 (2) | −0.012 (3) | −0.010 (2) |
| O14 | 0.153 (7) | 0.058 (3) | 0.064 (4) | −0.007 (4) | 0.004 (4) | 0.006 (3) |
| N1 | 0.038 (2) | 0.040 (2) | 0.0283 (19) | −0.0179 (17) | 0.0022 (16) | −0.0051 (17) |
| N2 | 0.053 (3) | 0.031 (2) | 0.028 (2) | 0.0008 (18) | 0.0008 (18) | 0.0038 (17) |
| N3 | 0.037 (2) | 0.051 (3) | 0.036 (2) | −0.0170 (19) | 0.0068 (17) | −0.013 (2) |
| N4 | 0.043 (2) | 0.040 (2) | 0.057 (3) | −0.0144 (19) | 0.015 (2) | −0.014 (2) |
| N5 | 0.043 (2) | 0.040 (2) | 0.048 (3) | −0.0103 (19) | −0.006 (2) | −0.008 (2) |
| C1 | 0.051 (3) | 0.047 (3) | 0.030 (3) | 0.005 (2) | −0.013 (2) | 0.005 (2) |
| C2 | 0.029 (2) | 0.031 (2) | 0.032 (2) | −0.0041 (17) | −0.0074 (17) | −0.0076 (19) |
| C3 | 0.031 (2) | 0.036 (2) | 0.045 (3) | −0.0006 (18) | −0.012 (2) | −0.011 (2) |
| C4 | 0.026 (2) | 0.057 (3) | 0.060 (3) | −0.002 (2) | −0.004 (2) | −0.028 (3) |
| C5 | 0.028 (2) | 0.055 (3) | 0.049 (3) | −0.011 (2) | 0.005 (2) | −0.022 (3) |
| C6 | 0.027 (2) | 0.034 (2) | 0.041 (2) | −0.0099 (17) | −0.0015 (18) | −0.015 (2) |
| C7 | 0.031 (2) | 0.027 (2) | 0.031 (2) | −0.0072 (16) | −0.0049 (17) | −0.0050 (18) |
| C8 | 0.038 (2) | 0.042 (2) | 0.034 (2) | −0.019 (2) | 0.0086 (19) | −0.012 (2) |
| C9 | 0.052 (3) | 0.056 (3) | 0.031 (3) | −0.025 (3) | 0.008 (2) | 0.004 (2) |
| C10 | 0.105 (6) | 0.039 (3) | 0.038 (3) | −0.032 (3) | 0.014 (3) | −0.001 (3) |
| C11 | 0.069 (4) | 0.069 (4) | 0.037 (3) | 0.007 (4) | 0.010 (3) | 0.026 (3) |
| C12 | 0.050 (3) | 0.035 (2) | 0.029 (2) | 0.008 (2) | −0.010 (2) | 0.000 (2) |
| C13 | 0.033 (2) | 0.033 (2) | 0.034 (2) | 0.0005 (18) | −0.0136 (19) | −0.006 (2) |
| C14 | 0.040 (3) | 0.045 (3) | 0.056 (3) | 0.003 (2) | −0.025 (3) | −0.016 (3) |
| C15 | 0.029 (2) | 0.045 (3) | 0.066 (4) | −0.004 (2) | −0.015 (2) | −0.017 (3) |
| C16 | 0.027 (2) | 0.042 (3) | 0.056 (3) | −0.0091 (19) | −0.001 (2) | −0.017 (2) |
| C17 | 0.028 (2) | 0.033 (2) | 0.038 (2) | −0.0078 (17) | −0.0056 (18) | −0.0078 (19) |
| C18 | 0.029 (2) | 0.032 (2) | 0.032 (2) | −0.0054 (17) | −0.0025 (17) | −0.0089 (18) |
| C19 | 0.043 (3) | 0.063 (3) | 0.040 (3) | −0.027 (3) | 0.011 (2) | −0.006 (3) |
| C20 | 0.109 (7) | 0.059 (4) | 0.069 (5) | −0.026 (4) | 0.013 (5) | −0.018 (4) |
| C21 | 0.075 (5) | 0.062 (4) | 0.060 (4) | −0.017 (4) | 0.024 (4) | −0.013 (4) |
| C22 | 0.125 (9) | 0.072 (6) | 0.098 (8) | −0.023 (6) | −0.042 (7) | 0.000 (5) |
| Lu1—O3 | 2.328 (3) | C2—C7 | 1.428 (6) |
| Lu1—O2 | 2.335 (3) | C3—C4 | 1.386 (8) |
| Lu1—O6 | 2.438 (4) | C3—H3 | 0.9300 |
| Lu1—O12 | 2.463 (4) | C4—C5 | 1.365 (8) |
| Lu1—O1 | 2.476 (3) | C4—H4 | 0.9300 |
| Lu1—O11 | 2.483 (4) | C5—C6 | 1.432 (7) |
| Lu1—O8 | 2.484 (4) | C5—H5 | 0.9300 |
| Lu1—O5 | 2.486 (4) | C6—C7 | 1.365 (7) |
| Lu1—O4 | 2.500 (3) | C6—C8 | 1.449 (7) |
| Lu1—O9 | 2.579 (4) | C8—H8 | 0.9300 |
| Lu1—N5 | 2.888 (5) | C9—C10 | 1.496 (9) |
| Lu1—N3 | 2.890 (5) | C9—H9A | 0.9700 |
| Cu1—O2 | 1.933 (3) | C9—H9B | 0.9700 |
| Cu1—O3 | 1.943 (4) | C10—C11 | 1.488 (12) |
| Cu1—N1 | 1.968 (4) | C10—H10A | 0.9700 |
| Cu1—N2 | 1.975 (4) | C10—H10B | 0.9700 |
| O1—C2 | 1.380 (6) | C11—H11A | 0.9700 |
| O1—C1 | 1.456 (6) | C11—H11B | 0.9700 |
| O2—C7 | 1.337 (5) | C12—C13 | 1.451 (8) |
| O3—C18 | 1.330 (5) | C12—H12 | 0.9300 |
| O4—C17 | 1.376 (6) | C13—C18 | 1.376 (7) |
| O4—C19 | 1.433 (6) | C13—C14 | 1.427 (7) |
| O5—N3 | 1.274 (6) | C14—C15 | 1.337 (9) |
| O6—N3 | 1.262 (6) | C14—H14 | 0.9300 |
| O7—N3 | 1.218 (6) | C15—C16 | 1.406 (8) |
| O8—N4 | 1.266 (6) | C15—H15 | 0.9300 |
| O9—N4 | 1.266 (7) | C16—C17 | 1.376 (6) |
| O10—N4 | 1.207 (6) | C16—H16 | 0.9300 |
| O11—N5 | 1.263 (7) | C17—C18 | 1.425 (7) |
| O12—N5 | 1.262 (6) | C19—H19A | 0.9600 |
| O13—N5 | 1.225 (6) | C19—H19B | 0.9600 |
| O14—C21 | 1.172 (9) | C19—H19C | 0.9600 |
| N1—C8 | 1.285 (7) | C20—C21 | 1.510 (12) |
| N1—C9 | 1.508 (6) | C20—H20A | 0.9600 |
| N2—C12 | 1.283 (7) | C20—H20B | 0.9600 |
| N2—C11 | 1.506 (7) | C20—H20C | 0.9600 |
| C1—H1A | 0.9600 | C21—C22 | 1.516 (13) |
| C1—H1B | 0.9600 | C22—H22A | 0.9600 |
| C1—H1C | 0.9600 | C22—H22B | 0.9600 |
| C2—C3 | 1.383 (6) | C22—H22C | 0.9600 |
| O3—Lu1—O2 | 64.14 (12) | O7—N3—O5 | 122.3 (5) |
| O3—Lu1—O6 | 146.60 (13) | O6—N3—O5 | 115.5 (4) |
| O2—Lu1—O6 | 146.96 (12) | O7—N3—Lu1 | 176.3 (4) |
| O3—Lu1—O12 | 73.77 (14) | O6—N3—Lu1 | 56.7 (2) |
| O2—Lu1—O12 | 73.01 (13) | O5—N3—Lu1 | 59.0 (3) |
| O6—Lu1—O12 | 118.90 (13) | O10—N4—O9 | 122.3 (5) |
| O3—Lu1—O1 | 127.07 (12) | O10—N4—O8 | 121.8 (5) |
| O2—Lu1—O1 | 65.77 (11) | O9—N4—O8 | 115.9 (4) |
| O6—Lu1—O1 | 86.29 (13) | O13—N5—O12 | 120.6 (5) |
| O12—Lu1—O1 | 76.49 (13) | O13—N5—O11 | 122.6 (5) |
| O3—Lu1—O11 | 117.79 (14) | O12—N5—O11 | 116.8 (4) |
| O2—Lu1—O11 | 115.27 (14) | O13—N5—Lu1 | 176.7 (4) |
| O6—Lu1—O11 | 67.38 (14) | O12—N5—Lu1 | 58.0 (3) |
| O12—Lu1—O11 | 51.54 (14) | O11—N5—Lu1 | 58.9 (3) |
| O1—Lu1—O11 | 70.71 (13) | O1—C1—H1A | 109.5 |
| O3—Lu1—O8 | 116.27 (13) | O1—C1—H1B | 109.5 |
| O2—Lu1—O8 | 80.52 (13) | H1A—C1—H1B | 109.5 |
| O6—Lu1—O8 | 73.24 (14) | O1—C1—H1C | 109.5 |
| O12—Lu1—O8 | 143.62 (14) | H1A—C1—H1C | 109.5 |
| O1—Lu1—O8 | 70.02 (13) | H1B—C1—H1C | 109.5 |
| O11—Lu1—O8 | 125.09 (13) | O1—C2—C3 | 125.7 (4) |
| O3—Lu1—O5 | 98.38 (13) | O1—C2—C7 | 114.2 (4) |
| O2—Lu1—O5 | 137.85 (13) | C3—C2—C7 | 120.1 (5) |
| O6—Lu1—O5 | 51.62 (13) | C2—C3—C4 | 119.9 (5) |
| O12—Lu1—O5 | 141.90 (13) | C2—C3—H3 | 120.0 |
| O1—Lu1—O5 | 130.80 (12) | C4—C3—H3 | 120.0 |
| O11—Lu1—O5 | 106.84 (15) | C5—C4—C3 | 121.0 (5) |
| O8—Lu1—O5 | 73.70 (14) | C5—C4—H4 | 119.5 |
| O3—Lu1—O4 | 65.10 (12) | C3—C4—H4 | 119.5 |
| O2—Lu1—O4 | 125.11 (12) | C4—C5—C6 | 119.7 (5) |
| O6—Lu1—O4 | 87.74 (13) | C4—C5—H5 | 120.2 |
| O12—Lu1—O4 | 74.18 (14) | C6—C5—H5 | 120.2 |
| O1—Lu1—O4 | 142.40 (12) | C7—C6—C5 | 120.1 (5) |
| O11—Lu1—O4 | 72.73 (14) | C7—C6—C8 | 122.8 (4) |
| O8—Lu1—O4 | 142.20 (14) | C5—C6—C8 | 116.9 (5) |
| O5—Lu1—O4 | 68.93 (13) | O2—C7—C6 | 123.2 (4) |
| O3—Lu1—O9 | 68.24 (15) | O2—C7—C2 | 117.6 (4) |
| O2—Lu1—O9 | 70.71 (14) | C6—C7—C2 | 119.2 (4) |
| O6—Lu1—O9 | 105.25 (15) | N1—C8—C6 | 127.5 (5) |
| O12—Lu1—O9 | 135.82 (14) | N1—C8—H8 | 116.3 |
| O1—Lu1—O9 | 109.59 (14) | C6—C8—H8 | 116.3 |
| O11—Lu1—O9 | 172.64 (14) | C10—C9—N1 | 111.6 (5) |
| O8—Lu1—O9 | 50.10 (14) | C10—C9—H9A | 109.3 |
| O5—Lu1—O9 | 67.15 (15) | N1—C9—H9A | 109.3 |
| O4—Lu1—O9 | 107.80 (15) | C10—C9—H9B | 109.3 |
| O3—Lu1—N5 | 96.29 (14) | N1—C9—H9B | 109.3 |
| O2—Lu1—N5 | 93.85 (14) | H9A—C9—H9B | 108.0 |
| O6—Lu1—N5 | 93.20 (14) | C11—C10—C9 | 112.5 (6) |
| O12—Lu1—N5 | 25.74 (13) | C11—C10—H10A | 109.1 |
| O1—Lu1—N5 | 71.03 (13) | C9—C10—H10A | 109.1 |
| O11—Lu1—N5 | 25.82 (14) | C11—C10—H10B | 109.1 |
| O8—Lu1—N5 | 139.36 (13) | C9—C10—H10B | 109.1 |
| O5—Lu1—N5 | 127.25 (14) | H10A—C10—H10B | 107.8 |
| O4—Lu1—N5 | 72.30 (13) | C10—C11—N2 | 112.3 (5) |
| O9—Lu1—N5 | 161.55 (16) | C10—C11—H11A | 109.1 |
| O3—Lu1—N3 | 123.65 (13) | N2—C11—H11A | 109.1 |
| O2—Lu1—N3 | 149.96 (12) | C10—C11—H11B | 109.1 |
| O6—Lu1—N3 | 25.65 (12) | N2—C11—H11B | 109.1 |
| O12—Lu1—N3 | 136.02 (13) | H11A—C11—H11B | 107.9 |
| O1—Lu1—N3 | 108.20 (12) | N2—C12—C13 | 127.2 (4) |
| O11—Lu1—N3 | 87.73 (14) | N2—C12—H12 | 116.4 |
| O8—Lu1—N3 | 70.14 (13) | C13—C12—H12 | 116.4 |
| O5—Lu1—N3 | 26.05 (12) | C18—C13—C14 | 119.5 (5) |
| O4—Lu1—N3 | 78.60 (13) | C18—C13—C12 | 122.7 (4) |
| O9—Lu1—N3 | 85.21 (14) | C14—C13—C12 | 117.7 (5) |
| N5—Lu1—N3 | 112.46 (14) | C15—C14—C13 | 120.5 (5) |
| O2—Cu1—O3 | 79.40 (14) | C15—C14—H14 | 119.7 |
| O2—Cu1—N1 | 90.93 (16) | C13—C14—H14 | 119.7 |
| O3—Cu1—N1 | 170.32 (15) | C14—C15—C16 | 121.1 (5) |
| O2—Cu1—N2 | 169.55 (17) | C14—C15—H15 | 119.5 |
| O3—Cu1—N2 | 90.81 (17) | C16—C15—H15 | 119.5 |
| N1—Cu1—N2 | 98.87 (18) | C17—C16—C15 | 119.6 (5) |
| O2—Cu1—Lu1 | 40.28 (10) | C17—C16—H16 | 120.2 |
| O3—Cu1—Lu1 | 40.17 (9) | C15—C16—H16 | 120.2 |
| N1—Cu1—Lu1 | 130.35 (12) | C16—C17—O4 | 125.6 (5) |
| N2—Cu1—Lu1 | 129.39 (14) | C16—C17—C18 | 120.0 (5) |
| C2—O1—C1 | 117.0 (4) | O4—C17—C18 | 114.4 (4) |
| C2—O1—Lu1 | 118.3 (2) | O3—C18—C13 | 123.5 (4) |
| C1—O1—Lu1 | 122.5 (3) | O3—C18—C17 | 117.2 (4) |
| C7—O2—Cu1 | 129.1 (3) | C13—C18—C17 | 119.3 (4) |
| C7—O2—Lu1 | 123.5 (3) | O4—C19—H19A | 109.5 |
| Cu1—O2—Lu1 | 107.35 (14) | O4—C19—H19B | 109.5 |
| C18—O3—Cu1 | 128.2 (3) | H19A—C19—H19B | 109.5 |
| C18—O3—Lu1 | 124.5 (3) | O4—C19—H19C | 109.5 |
| Cu1—O3—Lu1 | 107.26 (14) | H19A—C19—H19C | 109.5 |
| C17—O4—C19 | 116.9 (4) | H19B—C19—H19C | 109.5 |
| C17—O4—Lu1 | 117.9 (3) | C21—C20—H20A | 109.5 |
| C19—O4—Lu1 | 124.3 (3) | C21—C20—H20B | 109.5 |
| N3—O5—Lu1 | 95.0 (3) | H20A—C20—H20B | 109.5 |
| N3—O6—Lu1 | 97.6 (3) | C21—C20—H20C | 109.5 |
| N4—O8—Lu1 | 99.2 (3) | H20A—C20—H20C | 109.5 |
| N4—O9—Lu1 | 94.7 (3) | H20B—C20—H20C | 109.5 |
| N5—O11—Lu1 | 95.3 (3) | O14—C21—C20 | 123.0 (8) |
| N5—O12—Lu1 | 96.3 (3) | O14—C21—C22 | 122.6 (9) |
| C8—N1—C9 | 114.8 (4) | C20—C21—C22 | 114.4 (7) |
| C8—N1—Cu1 | 125.0 (3) | C21—C22—H22A | 109.5 |
| C9—N1—Cu1 | 120.1 (3) | C21—C22—H22B | 109.5 |
| C12—N2—C11 | 114.2 (5) | H22A—C22—H22B | 109.5 |
| C12—N2—Cu1 | 124.9 (4) | C21—C22—H22C | 109.5 |
| C11—N2—Cu1 | 120.8 (4) | H22A—C22—H22C | 109.5 |
| O7—N3—O6 | 122.2 (5) | H22B—C22—H22C | 109.5 |
| O3—Lu1—Cu1—O2 | 163.0 (2) | O3—Lu1—O8—N4 | −20.1 (4) |
| O6—Lu1—Cu1—O2 | −98.9 (4) | O2—Lu1—O8—N4 | −75.0 (3) |
| O12—Lu1—Cu1—O2 | 80.80 (19) | O6—Lu1—O8—N4 | 125.3 (3) |
| O1—Lu1—Cu1—O2 | 6.99 (19) | O12—Lu1—O8—N4 | −118.4 (3) |
| O11—Lu1—Cu1—O2 | 78.7 (2) | O1—Lu1—O8—N4 | −142.5 (3) |
| O8—Lu1—Cu1—O2 | −63.48 (19) | O11—Lu1—O8—N4 | 170.7 (3) |
| O5—Lu1—Cu1—O2 | −137.7 (2) | O5—Lu1—O8—N4 | 71.3 (3) |
| O4—Lu1—Cu1—O2 | 152.41 (19) | O4—Lu1—O8—N4 | 62.4 (4) |
| O9—Lu1—Cu1—O2 | −101.1 (2) | O9—Lu1—O8—N4 | −2.3 (3) |
| N5—Lu1—Cu1—O2 | 79.12 (19) | N5—Lu1—O8—N4 | −159.8 (3) |
| N3—Lu1—Cu1—O2 | −127.1 (2) | N3—Lu1—O8—N4 | 98.5 (3) |
| O2—Lu1—Cu1—O3 | −163.0 (2) | O3—Lu1—O9—N4 | 165.0 (4) |
| O6—Lu1—Cu1—O3 | 98.1 (4) | O2—Lu1—O9—N4 | 96.0 (3) |
| O12—Lu1—Cu1—O3 | −82.2 (2) | O6—Lu1—O9—N4 | −49.6 (4) |
| O1—Lu1—Cu1—O3 | −156.0 (2) | O12—Lu1—O9—N4 | 132.5 (3) |
| O11—Lu1—Cu1—O3 | −84.3 (2) | O1—Lu1—O9—N4 | 41.9 (4) |
| O8—Lu1—Cu1—O3 | 133.5 (2) | O8—Lu1—O9—N4 | 2.3 (3) |
| O5—Lu1—Cu1—O3 | 59.3 (2) | O5—Lu1—O9—N4 | −85.2 (3) |
| O4—Lu1—Cu1—O3 | −10.6 (2) | O4—Lu1—O9—N4 | −142.2 (3) |
| O9—Lu1—Cu1—O3 | 95.9 (2) | N5—Lu1—O9—N4 | 130.5 (4) |
| N5—Lu1—Cu1—O3 | −83.9 (2) | N3—Lu1—O9—N4 | −65.8 (3) |
| N3—Lu1—Cu1—O3 | 69.9 (2) | O3—Lu1—O11—N5 | −36.4 (4) |
| O3—Lu1—Cu1—N1 | 177.2 (2) | O2—Lu1—O11—N5 | 36.4 (3) |
| O2—Lu1—Cu1—N1 | 14.2 (2) | O6—Lu1—O11—N5 | −179.8 (3) |
| O6—Lu1—Cu1—N1 | −84.7 (4) | O12—Lu1—O11—N5 | −1.7 (3) |
| O12—Lu1—Cu1—N1 | 94.99 (19) | O1—Lu1—O11—N5 | 86.1 (3) |
| O1—Lu1—Cu1—N1 | 21.19 (18) | O8—Lu1—O11—N5 | 132.6 (3) |
| O11—Lu1—Cu1—N1 | 92.9 (2) | O5—Lu1—O11—N5 | −145.7 (3) |
| O8—Lu1—Cu1—N1 | −49.28 (19) | O4—Lu1—O11—N5 | −84.9 (3) |
| O5—Lu1—Cu1—N1 | −123.50 (19) | N3—Lu1—O11—N5 | −163.7 (3) |
| O4—Lu1—Cu1—N1 | 166.61 (18) | O3—Lu1—O12—N5 | 150.0 (3) |
| O9—Lu1—Cu1—N1 | −86.9 (2) | O2—Lu1—O12—N5 | −142.7 (3) |
| N5—Lu1—Cu1—N1 | 93.32 (19) | O6—Lu1—O12—N5 | 3.7 (4) |
| N3—Lu1—Cu1—N1 | −112.9 (2) | O1—Lu1—O12—N5 | −74.3 (3) |
| O3—Lu1—Cu1—N2 | −19.2 (3) | O11—Lu1—O12—N5 | 1.7 (3) |
| O2—Lu1—Cu1—N2 | 177.8 (2) | O8—Lu1—O12—N5 | −97.5 (4) |
| O6—Lu1—Cu1—N2 | 78.9 (4) | O5—Lu1—O12—N5 | 67.2 (4) |
| O12—Lu1—Cu1—N2 | −101.4 (2) | O4—Lu1—O12—N5 | 82.0 (3) |
| O1—Lu1—Cu1—N2 | −175.2 (2) | O9—Lu1—O12—N5 | −178.6 (3) |
| O11—Lu1—Cu1—N2 | −103.5 (2) | N3—Lu1—O12—N5 | 28.1 (4) |
| O8—Lu1—Cu1—N2 | 114.3 (2) | O2—Cu1—N1—C8 | −9.7 (4) |
| O5—Lu1—Cu1—N2 | 40.1 (2) | N2—Cu1—N1—C8 | 174.0 (4) |
| O4—Lu1—Cu1—N2 | −29.8 (2) | Lu1—Cu1—N1—C8 | −18.8 (5) |
| O9—Lu1—Cu1—N2 | 76.7 (2) | O2—Cu1—N1—C9 | 170.2 (4) |
| N5—Lu1—Cu1—N2 | −103.1 (2) | N2—Cu1—N1—C9 | −6.2 (4) |
| N3—Lu1—Cu1—N2 | 50.7 (2) | Lu1—Cu1—N1—C9 | 161.1 (3) |
| O3—Lu1—O1—C2 | −26.9 (4) | O2—Cu1—N2—C12 | 33.1 (13) |
| O2—Lu1—O1—C2 | −6.9 (3) | O3—Cu1—N2—C12 | 12.8 (5) |
| O6—Lu1—O1—C2 | 155.0 (3) | N1—Cu1—N2—C12 | −167.5 (5) |
| O12—Lu1—O1—C2 | −84.1 (3) | Lu1—Cu1—N2—C12 | 25.1 (6) |
| O11—Lu1—O1—C2 | −137.7 (3) | O2—Cu1—N2—C11 | −150.3 (9) |
| O8—Lu1—O1—C2 | 81.5 (3) | O3—Cu1—N2—C11 | −170.6 (6) |
| O5—Lu1—O1—C2 | 126.4 (3) | N1—Cu1—N2—C11 | 9.0 (6) |
| O4—Lu1—O1—C2 | −123.6 (3) | Lu1—Cu1—N2—C11 | −158.4 (5) |
| O9—Lu1—O1—C2 | 50.1 (3) | Lu1—O6—N3—O7 | 175.8 (5) |
| N5—Lu1—O1—C2 | −110.3 (3) | Lu1—O6—N3—O5 | −5.6 (4) |
| N3—Lu1—O1—C2 | 141.5 (3) | Lu1—O5—N3—O7 | −175.9 (5) |
| O3—Lu1—O1—C1 | 170.5 (4) | Lu1—O5—N3—O6 | 5.5 (4) |
| O2—Lu1—O1—C1 | −169.5 (4) | O3—Lu1—N3—O6 | −158.5 (3) |
| O6—Lu1—O1—C1 | −7.6 (4) | O2—Lu1—N3—O6 | 105.5 (3) |
| O12—Lu1—O1—C1 | 113.3 (4) | O12—Lu1—N3—O6 | −56.6 (3) |
| O11—Lu1—O1—C1 | 59.7 (4) | O1—Lu1—N3—O6 | 32.6 (3) |
| O8—Lu1—O1—C1 | −81.1 (4) | O11—Lu1—N3—O6 | −36.2 (3) |
| O5—Lu1—O1—C1 | −36.2 (4) | O8—Lu1—N3—O6 | 92.5 (3) |
| O4—Lu1—O1—C1 | 73.8 (4) | O5—Lu1—N3—O6 | −174.1 (5) |
| O9—Lu1—O1—C1 | −112.5 (4) | O4—Lu1—N3—O6 | −109.1 (3) |
| N5—Lu1—O1—C1 | 87.0 (4) | O9—Lu1—N3—O6 | 141.7 (3) |
| N3—Lu1—O1—C1 | −21.2 (4) | N5—Lu1—N3—O6 | −43.8 (3) |
| O3—Cu1—O2—C7 | −167.2 (4) | O3—Lu1—N3—O5 | 15.5 (3) |
| N1—Cu1—O2—C7 | 12.5 (4) | O2—Lu1—N3—O5 | −80.5 (4) |
| N2—Cu1—O2—C7 | 172.2 (9) | O6—Lu1—N3—O5 | 174.1 (5) |
| Lu1—Cu1—O2—C7 | −178.2 (5) | O12—Lu1—N3—O5 | 117.4 (3) |
| O3—Cu1—O2—Lu1 | 11.07 (16) | O1—Lu1—N3—O5 | −153.3 (3) |
| N1—Cu1—O2—Lu1 | −169.23 (17) | O11—Lu1—N3—O5 | 137.8 (3) |
| N2—Cu1—O2—Lu1 | −9.6 (11) | O8—Lu1—N3—O5 | −93.4 (3) |
| O3—Lu1—O2—C7 | 168.3 (4) | O4—Lu1—N3—O5 | 65.0 (3) |
| O6—Lu1—O2—C7 | −28.7 (5) | O9—Lu1—N3—O5 | −44.3 (3) |
| O12—Lu1—O2—C7 | 88.5 (3) | N5—Lu1—N3—O5 | 130.2 (3) |
| O1—Lu1—O2—C7 | 6.0 (3) | Lu1—O9—N4—O10 | 178.5 (5) |
| O11—Lu1—O2—C7 | 58.2 (4) | Lu1—O9—N4—O8 | −3.8 (5) |
| O8—Lu1—O2—C7 | −66.3 (3) | Lu1—O8—N4—O10 | −178.3 (5) |
| O5—Lu1—O2—C7 | −118.8 (3) | Lu1—O8—N4—O9 | 3.9 (5) |
| O4—Lu1—O2—C7 | 144.2 (3) | Lu1—O12—N5—O13 | 176.5 (5) |
| O9—Lu1—O2—C7 | −117.2 (4) | Lu1—O12—N5—O11 | −2.9 (5) |
| N5—Lu1—O2—C7 | 73.2 (3) | Lu1—O11—N5—O13 | −176.6 (5) |
| N3—Lu1—O2—C7 | −78.6 (4) | Lu1—O11—N5—O12 | 2.9 (5) |
| O3—Lu1—O2—Cu1 | −10.08 (14) | O3—Lu1—N5—O12 | −28.8 (3) |
| O6—Lu1—O2—Cu1 | 152.90 (17) | O2—Lu1—N5—O12 | 35.5 (3) |
| O12—Lu1—O2—Cu1 | −89.90 (17) | O6—Lu1—N5—O12 | −176.8 (3) |
| O1—Lu1—O2—Cu1 | −172.4 (2) | O1—Lu1—N5—O12 | 98.3 (3) |
| O11—Lu1—O2—Cu1 | −120.20 (17) | O11—Lu1—N5—O12 | −177.0 (5) |
| O8—Lu1—O2—Cu1 | 115.35 (17) | O8—Lu1—N5—O12 | 115.5 (3) |
| O5—Lu1—O2—Cu1 | 62.8 (2) | O5—Lu1—N5—O12 | −134.4 (3) |
| O4—Lu1—O2—Cu1 | −34.2 (2) | O4—Lu1—N5—O12 | −90.2 (3) |
| O9—Lu1—O2—Cu1 | 64.44 (18) | O9—Lu1—N5—O12 | 3.1 (6) |
| N5—Lu1—O2—Cu1 | −105.20 (16) | N3—Lu1—N5—O12 | −159.3 (3) |
| N3—Lu1—O2—Cu1 | 103.0 (2) | O3—Lu1—N5—O11 | 148.1 (3) |
| N2—Cu1—O3—C18 | −18.0 (4) | O2—Lu1—N5—O11 | −147.5 (3) |
| Lu1—Cu1—O3—C18 | 176.8 (5) | O6—Lu1—N5—O11 | 0.2 (3) |
| O2—Cu1—O3—Lu1 | −11.09 (16) | O12—Lu1—N5—O11 | 177.0 (5) |
| N2—Cu1—O3—Lu1 | 165.2 (2) | O1—Lu1—N5—O11 | −84.8 (3) |
| O2—Lu1—O3—C18 | −166.9 (4) | O8—Lu1—N5—O11 | −67.6 (4) |
| O6—Lu1—O3—C18 | 29.9 (5) | O5—Lu1—N5—O11 | 42.6 (4) |
| O12—Lu1—O3—C18 | −88.3 (4) | O4—Lu1—N5—O11 | 86.8 (3) |
| O1—Lu1—O3—C18 | −146.6 (3) | O9—Lu1—N5—O11 | −179.9 (4) |
| O11—Lu1—O3—C18 | −60.6 (4) | N3—Lu1—N5—O11 | 17.7 (3) |
| O8—Lu1—O3—C18 | 129.4 (4) | C1—O1—C2—C3 | −9.0 (7) |
| O5—Lu1—O3—C18 | 53.5 (4) | Lu1—O1—C2—C3 | −172.6 (4) |
| O4—Lu1—O3—C18 | −8.5 (4) | C1—O1—C2—C7 | 170.9 (4) |
| O9—Lu1—O3—C18 | 114.7 (4) | Lu1—O1—C2—C7 | 7.3 (5) |
| N5—Lu1—O3—C18 | −75.7 (4) | O1—C2—C3—C4 | −179.4 (5) |
| N3—Lu1—O3—C18 | 46.7 (4) | C7—C2—C3—C4 | 0.7 (7) |
| O2—Lu1—O3—Cu1 | 10.02 (14) | C2—C3—C4—C5 | 0.3 (8) |
| O6—Lu1—O3—Cu1 | −153.12 (18) | C3—C4—C5—C6 | −1.2 (8) |
| O12—Lu1—O3—Cu1 | 88.66 (19) | C4—C5—C6—C7 | 1.1 (7) |
| O1—Lu1—O3—Cu1 | 30.3 (2) | C4—C5—C6—C8 | −174.4 (5) |
| O11—Lu1—O3—Cu1 | 116.33 (18) | Cu1—O2—C7—C6 | −8.1 (6) |
| O8—Lu1—O3—Cu1 | −53.7 (2) | Lu1—O2—C7—C6 | 173.9 (3) |
| O5—Lu1—O3—Cu1 | −129.56 (18) | Cu1—O2—C7—C2 | 173.4 (3) |
| O4—Lu1—O3—Cu1 | 168.4 (2) | Lu1—O2—C7—C2 | −4.6 (5) |
| O9—Lu1—O3—Cu1 | −68.34 (19) | C5—C6—C7—O2 | −178.6 (4) |
| N5—Lu1—O3—Cu1 | 101.26 (19) | C8—C6—C7—O2 | −3.3 (7) |
| N3—Lu1—O3—Cu1 | −136.39 (16) | C5—C6—C7—C2 | −0.1 (7) |
| O3—Lu1—O4—C17 | 8.1 (3) | C8—C6—C7—C2 | 175.1 (4) |
| O2—Lu1—O4—C17 | 32.0 (4) | O1—C2—C7—O2 | −2.1 (6) |
| O6—Lu1—O4—C17 | −151.9 (3) | C3—C2—C7—O2 | 177.8 (4) |
| O12—Lu1—O4—C17 | 87.2 (3) | O1—C2—C7—C6 | 179.3 (4) |
| O1—Lu1—O4—C17 | 127.2 (3) | C3—C2—C7—C6 | −0.8 (7) |
| O11—Lu1—O4—C17 | 141.1 (4) | C9—N1—C8—C6 | −176.8 (5) |
| O8—Lu1—O4—C17 | −93.3 (4) | Cu1—N1—C8—C6 | 3.1 (7) |
| O5—Lu1—O4—C17 | −102.5 (4) | C7—C6—C8—N1 | 5.9 (8) |
| O9—Lu1—O4—C17 | −46.6 (4) | C5—C6—C8—N1 | −178.7 (5) |
| N5—Lu1—O4—C17 | 114.0 (4) | C8—N1—C9—C10 | 149.4 (5) |
| N3—Lu1—O4—C17 | −127.7 (4) | Cu1—N1—C9—C10 | −30.5 (7) |
| O3—Lu1—O4—C19 | 176.4 (4) | N1—C9—C10—C11 | 75.7 (7) |
| O2—Lu1—O4—C19 | −159.7 (4) | C9—C10—C11—N2 | −72.4 (8) |
| O6—Lu1—O4—C19 | 16.4 (4) | C12—N2—C11—C10 | −158.0 (6) |
| O12—Lu1—O4—C19 | −104.5 (4) | Cu1—N2—C11—C10 | 25.1 (9) |
| O1—Lu1—O4—C19 | −64.5 (5) | C11—N2—C12—C13 | 179.4 (6) |
| O11—Lu1—O4—C19 | −50.6 (4) | Cu1—N2—C12—C13 | −3.8 (9) |
| O8—Lu1—O4—C19 | 74.9 (5) | N2—C12—C13—C18 | −6.9 (9) |
| O5—Lu1—O4—C19 | 65.8 (4) | N2—C12—C13—C14 | 176.5 (6) |
| O9—Lu1—O4—C19 | 121.7 (4) | C18—C13—C14—C15 | 0.3 (8) |
| N5—Lu1—O4—C19 | −77.7 (4) | C12—C13—C14—C15 | 177.0 (5) |
| N3—Lu1—O4—C19 | 40.6 (4) | C13—C14—C15—C16 | −0.1 (9) |
| O3—Lu1—O5—N3 | −167.0 (3) | C14—C15—C16—C17 | −0.5 (8) |
| O2—Lu1—O5—N3 | 132.6 (3) | C15—C16—C17—O4 | −178.4 (5) |
| O6—Lu1—O5—N3 | −3.3 (3) | C15—C16—C17—C18 | 0.9 (7) |
| O12—Lu1—O5—N3 | −92.6 (3) | C19—O4—C17—C16 | 2.8 (7) |
| O1—Lu1—O5—N3 | 34.3 (3) | Lu1—O4—C17—C16 | 171.9 (4) |
| O11—Lu1—O5—N3 | −44.5 (3) | C19—O4—C17—C18 | −176.6 (4) |
| O8—Lu1—O5—N3 | 78.0 (3) | Lu1—O4—C17—C18 | −7.4 (5) |
| O4—Lu1—O5—N3 | −107.8 (3) | Cu1—O3—C18—C13 | 13.5 (7) |
| O9—Lu1—O5—N3 | 131.0 (3) | Lu1—O3—C18—C13 | −170.2 (4) |
| N5—Lu1—O5—N3 | −62.4 (3) | Cu1—O3—C18—C17 | −168.2 (3) |
| O3—Lu1—O6—N3 | 33.6 (4) | Lu1—O3—C18—C17 | 8.1 (6) |
| O2—Lu1—O6—N3 | −117.8 (3) | C14—C13—C18—O3 | 178.5 (5) |
| O12—Lu1—O6—N3 | 138.5 (3) | C12—C13—C18—O3 | 1.9 (8) |
| O1—Lu1—O6—N3 | −149.1 (3) | C14—C13—C18—C17 | 0.2 (7) |
| O11—Lu1—O6—N3 | 140.2 (3) | C12—C13—C18—C17 | −176.4 (5) |
| O8—Lu1—O6—N3 | −78.9 (3) | C16—C17—C18—O3 | −179.1 (4) |
| O5—Lu1—O6—N3 | 3.3 (3) | O4—C17—C18—O3 | 0.2 (6) |
| O4—Lu1—O6—N3 | 68.0 (3) | C16—C17—C18—C13 | −0.7 (7) |
| O9—Lu1—O6—N3 | −39.8 (3) | O4—C17—C18—C13 | 178.6 (4) |
| N5—Lu1—O6—N3 | 140.1 (3) |