Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807033247/ci2405sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807033247/ci2405Isup2.hkl |
CCDC reference: 657565
The Schiff base used to make the title compound was synthesized by the condensation of 3-ethoxysalicylaldehyde and 1,2- diaminopropane in a 2:1 molar ratio. Copper diacetate monohydrate (0.17 g, 1 mmol) and the ligand (0.37 g, 1 mmol) were heated in methanol (50 ml) for 3 h. Neodymium nitrate hexahydrate (0.44 g, 1 mmol) was added and then mixture was heated for another 3 h. Cooling the solution gave a precipitate, which was collected and washed with diethyl ether. Crystals were obtained upon recrystallization from methanol.
The part of the Schiff base that is made up of the C10 and C11 atoms (that belong to the cyclic system) is disordered over two positions; the occupancies of each set of atoms was arbitrarily fixed as 0.5. The displacement parameters of primed atoms were set to those of the unprimed ones. The C10—C11 and C11—C12 bond lengths were restrained to 1.50 (1) Å and the C10···C12 distance to 2.45 (1) Å. The displacement parameters of C10, C11 and C12 were restrained to approximate isotropic behaviour. The carbon- and oxygen-bound H atoms were positioned geometrically (C–H = 0.93–0.97 Å and O—H = 0.82 Å), and were included in the refinement in the riding model approximation, with Uiso(H) = 1.2–1.5Ueq(C,O). The final difference Fourier map had a large peak at 1.2 Å from O6.
The isostructural lutetium compound is described in the preceding report (Sui et al., 2007).
For the isostructural lutetium compound structure, see Sui et al. (2007).
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2007).
[CuNd(C21H22N2O4)(NO3)3(CH4O)] | F(000) = 1584 |
Mr = 794.27 | Dx = 1.785 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 8519 reflections |
a = 9.2004 (4) Å | θ = 2.2–27.4° |
b = 20.5069 (8) Å | µ = 2.53 mm−1 |
c = 15.6901 (6) Å | T = 295 K |
β = 93.111 (1)° | Block, red |
V = 2955.9 (2) Å3 | 0.34 × 0.13 × 0.11 mm |
Z = 4 |
Bruker APEXII area-detector diffractometer | 6644 independent reflections |
Radiation source: fine-focus sealed tube | 5212 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.027 |
φ and ω scans | θmax = 27.5°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→11 |
Tmin = 0.426, Tmax = 0.768 | k = −26→26 |
21321 measured reflections | l = −20→20 |
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)] = 0.052 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.154 | H-atom parameters constrained |
S = 1.14 | w = 1/[σ2(Fo2) + (0.0498P)2 + 17.0691P] where P = (Fo2 + 2Fc2)/3 |
6644 reflections | (Δ/σ)max = 0.001 |
395 parameters | Δρmax = 1.04 e Å−3 |
10 restraints | Δρmin = −0.68 e Å−3 |
[CuNd(C21H22N2O4)(NO3)3(CH4O)] | V = 2955.9 (2) Å3 |
Mr = 794.27 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 9.2004 (4) Å | µ = 2.53 mm−1 |
b = 20.5069 (8) Å | T = 295 K |
c = 15.6901 (6) Å | 0.34 × 0.13 × 0.11 mm |
β = 93.111 (1)° |
Bruker APEXII area-detector diffractometer | 6644 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 5212 reflections with I > 2σ(I) |
Tmin = 0.426, Tmax = 0.768 | Rint = 0.027 |
21321 measured reflections |
R[F2 > 2σ(F2)] = 0.052 | 10 restraints |
wR(F2) = 0.154 | H-atom parameters constrained |
S = 1.14 | w = 1/[σ2(Fo2) + (0.0498P)2 + 17.0691P] where P = (Fo2 + 2Fc2)/3 |
6644 reflections | Δρmax = 1.04 e Å−3 |
395 parameters | Δρmin = −0.68 e Å−3 |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Nd1 | 0.36649 (4) | 0.341072 (17) | 0.25006 (3) | 0.04394 (13) | |
Cu1 | 0.33005 (10) | 0.50577 (4) | 0.29959 (6) | 0.0486 (2) | |
O1 | 0.1453 (6) | 0.3478 (2) | 0.1359 (4) | 0.0575 (14) | |
O2 | 0.2273 (6) | 0.4403 (2) | 0.2355 (4) | 0.0578 (14) | |
O3 | 0.4766 (6) | 0.4393 (2) | 0.3103 (4) | 0.0562 (14) | |
O4 | 0.6487 (5) | 0.3420 (2) | 0.2987 (4) | 0.0523 (12) | |
O5 | 0.4301 (11) | 0.5592 (4) | 0.1838 (5) | 0.118 (3) | |
H5O | 0.4926 | 0.5868 | 0.1952 | 0.141* | |
O6 | 0.1577 (8) | 0.3228 (5) | 0.3439 (5) | 0.096 (2) | |
O7 | 0.3543 (9) | 0.3409 (5) | 0.4117 (5) | 0.105 (3) | |
O8 | 0.1590 (10) | 0.3344 (3) | 0.4808 (5) | 0.095 (2) | |
O9 | 0.4799 (8) | 0.3825 (3) | 0.1171 (4) | 0.0774 (18) | |
O10 | 0.4850 (8) | 0.2788 (3) | 0.1368 (4) | 0.0755 (18) | |
O11 | 0.6037 (12) | 0.3199 (5) | 0.0342 (6) | 0.127 (3) | |
O12 | 0.2348 (7) | 0.2302 (3) | 0.2231 (5) | 0.0765 (19) | |
O13 | 0.4328 (7) | 0.2252 (3) | 0.3004 (4) | 0.0702 (17) | |
O14 | 0.3190 (8) | 0.1367 (3) | 0.2636 (5) | 0.090 (2) | |
N1 | 0.1700 (8) | 0.5660 (3) | 0.3028 (5) | 0.066 (2) | |
N2 | 0.4296 (8) | 0.5647 (3) | 0.3777 (5) | 0.0597 (17) | |
N3 | 0.2211 (10) | 0.3338 (3) | 0.4139 (5) | 0.0647 (19) | |
N4 | 0.5249 (10) | 0.3268 (4) | 0.0932 (5) | 0.076 (2) | |
N5 | 0.3294 (8) | 0.1962 (3) | 0.2621 (5) | 0.0582 (17) | |
C1 | 0.1630 (14) | 0.3442 (6) | −0.0207 (7) | 0.101 (4) | |
H1A | 0.1443 | 0.3168 | −0.0697 | 0.152* | |
H1B | 0.2632 | 0.3575 | −0.0179 | 0.152* | |
H1C | 0.1017 | 0.3820 | −0.0254 | 0.152* | |
C2 | 0.1310 (11) | 0.3065 (4) | 0.0602 (6) | 0.068 (2) | |
H2A | 0.0330 | 0.2891 | 0.0545 | 0.082* | |
H2B | 0.1979 | 0.2701 | 0.0669 | 0.082* | |
C3 | 0.0446 (9) | 0.3977 (4) | 0.1433 (5) | 0.0556 (19) | |
C4 | −0.0931 (11) | 0.3986 (5) | 0.1044 (7) | 0.079 (3) | |
H4 | −0.1254 | 0.3647 | 0.0688 | 0.095* | |
C5 | −0.1829 (11) | 0.4514 (6) | 0.1196 (7) | 0.084 (3) | |
H5 | −0.2765 | 0.4527 | 0.0941 | 0.101* | |
C6 | −0.1359 (10) | 0.5010 (5) | 0.1708 (7) | 0.071 (3) | |
H6 | −0.1992 | 0.5352 | 0.1804 | 0.086* | |
C7 | 0.0062 (8) | 0.5027 (4) | 0.2104 (6) | 0.0553 (19) | |
C8 | 0.0942 (8) | 0.4479 (3) | 0.1983 (5) | 0.0496 (17) | |
C9 | 0.0431 (11) | 0.5567 (4) | 0.2632 (6) | 0.072 (3) | |
H9 | −0.0284 | 0.5880 | 0.2703 | 0.086* | |
C10 | 0.2181 (17) | 0.6309 (6) | 0.3334 (14) | 0.074 (5) | 0.50 |
H10 | 0.2650 | 0.6545 | 0.2880 | 0.089* | 0.50 |
C10' | 0.195 (2) | 0.6127 (7) | 0.3723 (10) | 0.074 (5) | 0.50 |
H10' | 0.1631 | 0.5889 | 0.4222 | 0.089* | 0.50 |
C11 | 0.1042 (13) | 0.6729 (5) | 0.3711 (9) | 0.108 (4) | |
H11A | 0.1491 | 0.7114 | 0.3954 | 0.162* | 0.50 |
H11B | 0.0581 | 0.6491 | 0.4149 | 0.162* | 0.50 |
H11C | 0.0325 | 0.6852 | 0.3273 | 0.162* | 0.50 |
H11D | 0.0031 | 0.6621 | 0.3614 | 0.162* | 0.50 |
H11E | 0.1181 | 0.6956 | 0.4245 | 0.162* | 0.50 |
H11F | 0.1342 | 0.7004 | 0.3257 | 0.162* | 0.50 |
C12 | 0.328 (3) | 0.6143 (14) | 0.405 (2) | 0.096 (7) | 0.50 |
H12A | 0.3810 | 0.6533 | 0.4219 | 0.116* | 0.50 |
H12B | 0.2775 | 0.5985 | 0.4532 | 0.116* | 0.50 |
C12' | 0.353 (2) | 0.6253 (11) | 0.395 (3) | 0.096 (7) | 0.50 |
H12C | 0.3885 | 0.6605 | 0.3599 | 0.116* | 0.50 |
H12D | 0.3674 | 0.6374 | 0.4542 | 0.116* | 0.50 |
C13 | 0.5624 (10) | 0.5605 (4) | 0.4056 (5) | 0.062 (2) | |
H13 | 0.6008 | 0.5944 | 0.4391 | 0.074* | |
C14 | 0.6573 (10) | 0.5057 (4) | 0.3882 (5) | 0.058 (2) | |
C15 | 0.8015 (10) | 0.5096 (4) | 0.4202 (6) | 0.066 (2) | |
H15 | 0.8330 | 0.5468 | 0.4497 | 0.079* | |
C16 | 0.8963 (10) | 0.4605 (4) | 0.4093 (6) | 0.066 (2) | |
H16 | 0.9930 | 0.4652 | 0.4289 | 0.079* | |
C17 | 0.8515 (8) | 0.4033 (4) | 0.3693 (5) | 0.0566 (19) | |
H17 | 0.9168 | 0.3693 | 0.3627 | 0.068* | |
C18 | 0.7074 (9) | 0.3974 (4) | 0.3391 (5) | 0.0501 (18) | |
C19 | 0.6091 (8) | 0.4481 (3) | 0.3459 (5) | 0.0471 (16) | |
C20 | 0.7444 (9) | 0.2873 (4) | 0.2865 (6) | 0.063 (2) | |
H20A | 0.8360 | 0.3034 | 0.2671 | 0.075* | |
H20B | 0.7012 | 0.2593 | 0.2423 | 0.075* | |
C21 | 0.7736 (12) | 0.2480 (5) | 0.3661 (7) | 0.087 (3) | |
H21A | 0.7747 | 0.2025 | 0.3518 | 0.130* | |
H21B | 0.6986 | 0.2561 | 0.4049 | 0.130* | |
H21C | 0.8662 | 0.2602 | 0.3924 | 0.130* | |
C22 | 0.3945 (19) | 0.5487 (7) | 0.1005 (8) | 0.131 (6) | |
H22A | 0.4779 | 0.5565 | 0.0678 | 0.196* | |
H22B | 0.3173 | 0.5777 | 0.0819 | 0.196* | |
H22C | 0.3629 | 0.5044 | 0.0926 | 0.196* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Nd1 | 0.0452 (2) | 0.03140 (19) | 0.0547 (2) | 0.00066 (16) | −0.00207 (16) | −0.00479 (16) |
Cu1 | 0.0533 (5) | 0.0312 (4) | 0.0611 (6) | 0.0019 (4) | 0.0023 (4) | −0.0057 (4) |
O1 | 0.059 (3) | 0.046 (3) | 0.066 (3) | 0.000 (2) | −0.013 (3) | −0.008 (2) |
O2 | 0.053 (3) | 0.038 (3) | 0.081 (4) | 0.009 (2) | −0.013 (3) | −0.009 (3) |
O3 | 0.050 (3) | 0.039 (3) | 0.078 (4) | 0.007 (2) | −0.018 (3) | −0.015 (2) |
O4 | 0.045 (3) | 0.041 (3) | 0.070 (3) | −0.002 (2) | −0.003 (2) | −0.011 (2) |
O5 | 0.164 (9) | 0.118 (7) | 0.074 (5) | −0.075 (6) | 0.033 (5) | −0.004 (5) |
O6 | 0.067 (4) | 0.156 (8) | 0.066 (4) | 0.019 (5) | 0.007 (4) | 0.006 (5) |
O7 | 0.085 (6) | 0.162 (9) | 0.066 (4) | −0.037 (5) | −0.002 (4) | −0.010 (5) |
O8 | 0.136 (7) | 0.077 (5) | 0.078 (5) | −0.009 (4) | 0.045 (5) | 0.002 (4) |
O9 | 0.088 (5) | 0.064 (4) | 0.081 (4) | −0.002 (3) | 0.017 (4) | 0.012 (3) |
O10 | 0.098 (5) | 0.058 (4) | 0.072 (4) | 0.000 (3) | 0.020 (4) | −0.008 (3) |
O11 | 0.156 (9) | 0.129 (7) | 0.102 (6) | −0.027 (6) | 0.074 (6) | −0.020 (5) |
O12 | 0.064 (4) | 0.049 (3) | 0.114 (5) | −0.006 (3) | −0.019 (4) | 0.006 (3) |
O13 | 0.059 (4) | 0.051 (3) | 0.098 (5) | −0.008 (3) | −0.018 (3) | 0.010 (3) |
O14 | 0.103 (5) | 0.031 (3) | 0.137 (7) | −0.012 (3) | 0.013 (5) | −0.002 (3) |
N1 | 0.059 (5) | 0.042 (4) | 0.098 (6) | 0.013 (3) | −0.001 (4) | −0.010 (4) |
N2 | 0.071 (5) | 0.042 (3) | 0.067 (4) | 0.001 (3) | 0.002 (4) | −0.013 (3) |
N3 | 0.090 (6) | 0.042 (4) | 0.063 (5) | 0.000 (4) | 0.017 (4) | −0.003 (3) |
N4 | 0.083 (6) | 0.082 (6) | 0.063 (5) | −0.011 (5) | 0.012 (4) | −0.008 (4) |
N5 | 0.068 (5) | 0.034 (3) | 0.074 (5) | −0.007 (3) | 0.017 (4) | −0.002 (3) |
C1 | 0.111 (10) | 0.126 (11) | 0.066 (7) | −0.008 (8) | 0.001 (6) | −0.001 (7) |
C2 | 0.076 (6) | 0.055 (5) | 0.070 (6) | −0.001 (4) | −0.018 (5) | −0.014 (4) |
C3 | 0.051 (5) | 0.049 (4) | 0.066 (5) | 0.007 (3) | −0.002 (4) | 0.005 (4) |
C4 | 0.078 (7) | 0.073 (6) | 0.084 (7) | 0.009 (5) | −0.021 (5) | 0.000 (5) |
C5 | 0.056 (6) | 0.099 (8) | 0.096 (8) | 0.021 (6) | −0.012 (5) | 0.010 (6) |
C6 | 0.048 (5) | 0.062 (5) | 0.102 (7) | 0.007 (4) | −0.006 (5) | 0.008 (5) |
C7 | 0.036 (4) | 0.055 (5) | 0.074 (5) | 0.018 (3) | −0.006 (4) | 0.009 (4) |
C8 | 0.040 (4) | 0.040 (4) | 0.069 (5) | 0.002 (3) | 0.000 (3) | 0.009 (3) |
C9 | 0.078 (7) | 0.051 (5) | 0.089 (7) | 0.027 (5) | 0.023 (5) | 0.004 (4) |
C10 | 0.102 (11) | 0.030 (7) | 0.091 (14) | 0.014 (7) | 0.016 (10) | −0.004 (7) |
C10' | 0.102 (11) | 0.030 (7) | 0.091 (14) | 0.014 (7) | 0.016 (10) | −0.004 (7) |
C11 | 0.100 (9) | 0.075 (7) | 0.151 (12) | 0.020 (7) | 0.013 (8) | −0.012 (7) |
C12 | 0.072 (10) | 0.065 (9) | 0.149 (13) | 0.015 (8) | −0.016 (9) | −0.058 (9) |
C12' | 0.072 (10) | 0.065 (9) | 0.149 (13) | 0.015 (8) | −0.016 (9) | −0.058 (9) |
C13 | 0.078 (6) | 0.045 (4) | 0.061 (5) | −0.007 (4) | −0.011 (4) | −0.016 (4) |
C14 | 0.075 (6) | 0.043 (4) | 0.055 (4) | −0.005 (4) | −0.004 (4) | −0.002 (3) |
C15 | 0.075 (6) | 0.060 (5) | 0.061 (5) | −0.024 (5) | −0.015 (4) | −0.006 (4) |
C16 | 0.051 (5) | 0.067 (6) | 0.078 (6) | −0.008 (4) | −0.015 (4) | −0.006 (4) |
C17 | 0.038 (4) | 0.063 (5) | 0.068 (5) | 0.003 (3) | −0.005 (4) | −0.001 (4) |
C18 | 0.058 (5) | 0.045 (4) | 0.047 (4) | −0.011 (3) | −0.002 (3) | −0.005 (3) |
C19 | 0.046 (4) | 0.042 (4) | 0.053 (4) | −0.003 (3) | −0.004 (3) | −0.003 (3) |
C20 | 0.050 (5) | 0.055 (5) | 0.082 (6) | 0.011 (4) | −0.006 (4) | −0.012 (4) |
C21 | 0.079 (7) | 0.070 (6) | 0.108 (8) | 0.000 (5) | −0.013 (6) | 0.012 (6) |
C22 | 0.195 (17) | 0.123 (11) | 0.078 (8) | −0.026 (11) | 0.042 (9) | 0.018 (8) |
Nd1—O1 | 2.641 (5) | C4—C5 | 1.390 (14) |
Nd1—O2 | 2.408 (5) | C4—H4 | 0.93 |
Nd1—O3 | 2.424 (5) | C5—C6 | 1.351 (14) |
Nd1—O4 | 2.666 (5) | C5—H5 | 0.93 |
Nd1—O6 | 2.511 (7) | C6—C7 | 1.417 (11) |
Nd1—O7 | 2.545 (7) | C6—H6 | 0.93 |
Nd1—O9 | 2.530 (7) | C7—C8 | 1.404 (10) |
Nd1—O10 | 2.487 (6) | C7—C9 | 1.414 (13) |
Nd1—O12 | 2.600 (6) | C9—H9 | 0.93 |
Nd1—O13 | 2.567 (6) | C10—C11 | 1.504 (10) |
Cu1—O2 | 1.899 (5) | C10—C12 | 1.502 (10) |
Cu1—O3 | 1.918 (5) | C10—H10 | 0.98 |
Cu1—O5 | 2.351 (7) | C10'—C11 | 1.492 (9) |
Cu1—N1 | 1.925 (7) | C10'—C12' | 1.499 (10) |
Cu1—N2 | 1.918 (7) | C10'—H10' | 0.98 |
O1—C3 | 1.389 (9) | C11—H11A | 0.96 |
O1—C2 | 1.459 (9) | C11—H11B | 0.96 |
O2—C8 | 1.336 (9) | C11—H11C | 0.96 |
O3—C19 | 1.326 (9) | C11—H11D | 0.96 |
O4—C18 | 1.397 (8) | C11—H11E | 0.96 |
O4—C20 | 1.444 (9) | C11—H11F | 0.96 |
O5—C22 | 1.347 (14) | C12—H12A | 0.97 |
O5—H5O | 0.8200 | C12—H12B | 0.97 |
O6—N3 | 1.236 (10) | C12'—H12C | 0.97 |
O7—N3 | 1.236 (10) | C12'—H12D | 0.97 |
O8—N3 | 1.221 (9) | C13—C14 | 1.458 (12) |
O9—N4 | 1.279 (10) | C13—H13 | 0.93 |
O10—N4 | 1.264 (10) | C14—C15 | 1.396 (12) |
O11—N4 | 1.215 (11) | C14—C19 | 1.414 (10) |
O12—N5 | 1.249 (9) | C15—C16 | 1.349 (13) |
O13—N5 | 1.248 (9) | C15—H15 | 0.93 |
O14—N5 | 1.225 (8) | C16—C17 | 1.382 (12) |
N1—C9 | 1.306 (12) | C16—H16 | 0.93 |
N1—C10' | 1.460 (9) | C17—C18 | 1.389 (11) |
N1—C10 | 1.474 (9) | C17—H17 | 0.93 |
N2—C13 | 1.278 (11) | C18—C19 | 1.385 (11) |
N2—C12' | 1.461 (10) | C20—C21 | 1.498 (13) |
N2—C12 | 1.461 (10) | C20—H20A | 0.97 |
C1—C2 | 1.528 (14) | C20—H20B | 0.97 |
C1—H1A | 0.96 | C21—H21A | 0.96 |
C1—H1B | 0.96 | C21—H21B | 0.96 |
C1—H1C | 0.96 | C21—H21C | 0.96 |
C2—H2A | 0.97 | C22—H22A | 0.96 |
C2—H2B | 0.97 | C22—H22B | 0.96 |
C3—C4 | 1.377 (12) | C22—H22C | 0.96 |
C3—C8 | 1.404 (11) | ||
O2—Nd1—O3 | 62.85 (17) | O1—C2—H2A | 109.3 |
O2—Nd1—O10 | 128.1 (2) | C1—C2—H2A | 109.3 |
O3—Nd1—O10 | 121.0 (2) | O1—C2—H2B | 109.3 |
O2—Nd1—O6 | 76.2 (2) | C1—C2—H2B | 109.3 |
O3—Nd1—O6 | 102.2 (3) | H2A—C2—H2B | 107.9 |
O10—Nd1—O6 | 136.2 (3) | C4—C3—O1 | 125.1 (8) |
O2—Nd1—O9 | 83.0 (2) | C4—C3—C8 | 121.5 (8) |
O3—Nd1—O9 | 81.9 (2) | O1—C3—C8 | 113.3 (7) |
O10—Nd1—O9 | 50.7 (2) | C3—C4—C5 | 118.4 (10) |
O6—Nd1—O9 | 153.7 (2) | C3—C4—H4 | 120.8 |
O2—Nd1—O7 | 92.5 (3) | C5—C4—H4 | 120.8 |
O3—Nd1—O7 | 69.7 (2) | C6—C5—C4 | 120.9 (9) |
O10—Nd1—O7 | 139.1 (3) | C6—C5—H5 | 119.6 |
O6—Nd1—O7 | 48.6 (2) | C4—C5—H5 | 119.6 |
O9—Nd1—O7 | 149.8 (2) | C5—C6—C7 | 122.5 (9) |
O2—Nd1—O13 | 158.0 (2) | C5—C6—H6 | 118.7 |
O3—Nd1—O13 | 124.21 (18) | C7—C6—H6 | 118.7 |
O10—Nd1—O13 | 68.8 (2) | C8—C7—C6 | 116.5 (8) |
O6—Nd1—O13 | 81.8 (3) | C8—C7—C9 | 125.8 (7) |
O9—Nd1—O13 | 117.6 (2) | C6—C7—C9 | 117.6 (8) |
O7—Nd1—O13 | 73.4 (3) | O2—C8—C3 | 116.2 (7) |
O2—Nd1—O12 | 118.85 (19) | O2—C8—C7 | 123.8 (7) |
O3—Nd1—O12 | 166.3 (2) | C3—C8—C7 | 120.0 (7) |
O10—Nd1—O12 | 69.7 (2) | N1—C9—C7 | 124.9 (7) |
O6—Nd1—O12 | 66.4 (3) | N1—C9—H9 | 117.5 |
O9—Nd1—O12 | 111.7 (2) | C7—C9—H9 | 117.5 |
O7—Nd1—O12 | 96.6 (3) | N1—C10—C11 | 116.3 (11) |
O13—Nd1—O12 | 48.82 (19) | N1—C10—C12 | 102.5 (16) |
O2—Nd1—O1 | 60.35 (17) | C11—C10—C12 | 106.9 (12) |
O3—Nd1—O1 | 120.77 (16) | N1—C10—H10 | 110.3 |
O10—Nd1—O1 | 83.9 (2) | C11—C10—H10 | 110.3 |
O6—Nd1—O1 | 79.6 (2) | C12—C10—H10 | 110.3 |
O9—Nd1—O1 | 76.1 (2) | N1—C10'—C11 | 117.9 (11) |
O7—Nd1—O1 | 127.0 (2) | N1—C10'—C12' | 113.6 (16) |
O13—Nd1—O1 | 114.73 (17) | C11—C10'—C12' | 113.2 (12) |
O12—Nd1—O1 | 66.42 (18) | N1—C10'—H10' | 103.2 |
O2—Nd1—O4 | 121.74 (16) | C11—C10'—H10' | 103.2 |
O3—Nd1—O4 | 60.19 (16) | C12'—C10'—H10' | 103.2 |
O10—Nd1—O4 | 75.5 (2) | C10—C11—H11A | 109.5 |
O6—Nd1—O4 | 126.6 (2) | C10—C11—H11B | 109.5 |
O9—Nd1—O4 | 78.2 (2) | H11A—C11—H11B | 109.5 |
O7—Nd1—O4 | 79.0 (2) | C10—C11—H11C | 109.5 |
O13—Nd1—O4 | 72.95 (17) | H11A—C11—H11C | 109.5 |
O12—Nd1—O4 | 119.37 (17) | H11B—C11—H11C | 109.5 |
O1—Nd1—O4 | 153.69 (19) | C10'—C11—H11D | 110.3 |
O2—Cu1—O3 | 82.6 (2) | C10'—C11—H11E | 110.0 |
O2—Cu1—N2 | 172.2 (3) | H11D—C11—H11E | 109.5 |
O3—Cu1—N2 | 94.7 (3) | C10'—C11—H11F | 108.1 |
O2—Cu1—N1 | 96.2 (3) | H11D—C11—H11F | 109.5 |
O3—Cu1—N1 | 171.4 (3) | H11E—C11—H11F | 109.5 |
N2—Cu1—N1 | 85.3 (3) | N2—C12—C10 | 111.0 (15) |
O2—Cu1—O5 | 97.2 (3) | N2—C12—H12A | 109.4 |
O3—Cu1—O5 | 95.5 (3) | C10—C12—H12A | 109.4 |
N2—Cu1—O5 | 90.4 (3) | N2—C12—H12B | 109.4 |
N1—Cu1—O5 | 93.1 (4) | C10—C12—H12B | 109.4 |
C3—O1—C2 | 117.7 (6) | H12A—C12—H12B | 108.0 |
C3—O1—Nd1 | 118.3 (4) | N2—C12'—C10' | 106.3 (14) |
C2—O1—Nd1 | 123.7 (5) | N2—C12'—H12C | 110.5 |
C8—O2—Cu1 | 124.5 (5) | C10'—C12'—H12C | 110.5 |
C8—O2—Nd1 | 127.6 (4) | N2—C12'—H12D | 110.5 |
Cu1—O2—Nd1 | 107.5 (2) | C10'—C12'—H12D | 110.5 |
C19—O3—Cu1 | 124.5 (4) | H12C—C12'—H12D | 108.7 |
C19—O3—Nd1 | 129.2 (4) | N2—C13—C14 | 124.0 (7) |
Cu1—O3—Nd1 | 106.2 (2) | N2—C13—H13 | 118.0 |
C18—O4—C20 | 117.9 (6) | C14—C13—H13 | 118.0 |
C18—O4—Nd1 | 118.8 (4) | C15—C14—C19 | 119.0 (8) |
C20—O4—Nd1 | 123.2 (4) | C15—C14—C13 | 117.1 (7) |
C22—O5—Cu1 | 126.2 (8) | C19—C14—C13 | 123.8 (8) |
C22—O5—H5O | 116.9 | C16—C15—C14 | 121.3 (8) |
Cu1—O5—H5O | 116.9 | C16—C15—H15 | 119.3 |
N3—O6—Nd1 | 98.9 (6) | C14—C15—H15 | 119.3 |
N3—O7—Nd1 | 97.2 (5) | C15—C16—C17 | 120.8 (8) |
N4—O9—Nd1 | 95.5 (5) | C15—C16—H16 | 119.6 |
N4—O10—Nd1 | 98.0 (5) | C17—C16—H16 | 119.6 |
N5—O12—Nd1 | 95.8 (4) | C16—C17—C18 | 119.0 (8) |
N5—O13—Nd1 | 97.5 (4) | C16—C17—H17 | 120.5 |
C9—N1—C10' | 123.5 (10) | C18—C17—H17 | 120.5 |
C9—N1—C10 | 122.1 (10) | C19—C18—C17 | 121.6 (7) |
C9—N1—Cu1 | 124.0 (6) | C19—C18—O4 | 114.1 (6) |
C10'—N1—Cu1 | 110.5 (7) | C17—C18—O4 | 124.3 (7) |
C10—N1—Cu1 | 111.8 (7) | O3—C19—C18 | 117.1 (6) |
C13—N2—C12' | 117.2 (11) | O3—C19—C14 | 124.7 (7) |
C13—N2—C12 | 124.4 (12) | C18—C19—C14 | 118.3 (7) |
C13—N2—Cu1 | 126.2 (5) | O4—C20—C21 | 113.0 (8) |
C12'—N2—Cu1 | 115.7 (11) | O4—C20—H20A | 109.0 |
C12—N2—Cu1 | 109.3 (11) | C21—C20—H20A | 109.0 |
O8—N3—O7 | 122.2 (9) | O4—C20—H20B | 109.0 |
O8—N3—O6 | 123.0 (9) | C21—C20—H20B | 109.0 |
O7—N3—O6 | 114.7 (8) | H20A—C20—H20B | 107.8 |
O11—N4—O10 | 121.7 (9) | C20—C21—H21A | 109.5 |
O11—N4—O9 | 123.0 (9) | C20—C21—H21B | 109.5 |
O10—N4—O9 | 115.3 (8) | H21A—C21—H21B | 109.5 |
O14—N5—O13 | 121.6 (8) | C20—C21—H21C | 109.5 |
O14—N5—O12 | 120.8 (8) | H21A—C21—H21C | 109.5 |
O13—N5—O12 | 117.6 (6) | H21B—C21—H21C | 109.5 |
C2—C1—H1A | 109.5 | O5—C22—H22A | 109.5 |
C2—C1—H1B | 109.5 | O5—C22—H22B | 109.5 |
H1A—C1—H1B | 109.5 | H22A—C22—H22B | 109.5 |
C2—C1—H1C | 109.5 | O5—C22—H22C | 109.5 |
H1A—C1—H1C | 109.5 | H22A—C22—H22C | 109.5 |
H1B—C1—H1C | 109.5 | H22B—C22—H22C | 109.5 |
O1—C2—C1 | 111.7 (8) | ||
O2—Nd1—O1—C3 | −16.6 (5) | O6—Nd1—O12—N5 | −103.0 (5) |
O3—Nd1—O1—C3 | −34.8 (6) | O9—Nd1—O12—N5 | 105.4 (5) |
O10—Nd1—O1—C3 | −157.5 (6) | O7—Nd1—O12—N5 | −64.0 (5) |
O6—Nd1—O1—C3 | 63.3 (6) | O13—Nd1—O12—N5 | −2.9 (5) |
O9—Nd1—O1—C3 | −106.5 (6) | O1—Nd1—O12—N5 | 168.4 (6) |
O7—Nd1—O1—C3 | 51.9 (6) | O4—Nd1—O12—N5 | 17.1 (6) |
O13—Nd1—O1—C3 | 139.3 (5) | O2—Nd1—O13—N5 | 65.8 (8) |
O12—Nd1—O1—C3 | 132.0 (6) | O3—Nd1—O13—N5 | 168.0 (4) |
O4—Nd1—O1—C3 | −119.0 (6) | O10—Nd1—O13—N5 | −78.2 (5) |
O2—Nd1—O1—C2 | 156.5 (7) | O6—Nd1—O13—N5 | 68.7 (5) |
O3—Nd1—O1—C2 | 138.3 (6) | O9—Nd1—O13—N5 | −92.6 (5) |
O10—Nd1—O1—C2 | 15.6 (6) | O7—Nd1—O13—N5 | 117.8 (5) |
O6—Nd1—O1—C2 | −123.6 (6) | O12—Nd1—O13—N5 | 2.9 (5) |
O9—Nd1—O1—C2 | 66.6 (6) | O1—Nd1—O13—N5 | −5.9 (6) |
O7—Nd1—O1—C2 | −135.0 (6) | O4—Nd1—O13—N5 | −158.9 (5) |
O13—Nd1—O1—C2 | −47.7 (6) | O2—Cu1—N1—C9 | −4.2 (8) |
O12—Nd1—O1—C2 | −54.9 (6) | N2—Cu1—N1—C9 | −176.5 (8) |
O4—Nd1—O1—C2 | 54.1 (7) | O5—Cu1—N1—C9 | 93.3 (8) |
O3—Cu1—O2—C8 | −179.4 (7) | O2—Cu1—N1—C10' | 160.1 (11) |
N1—Cu1—O2—C8 | 9.1 (7) | N2—Cu1—N1—C10' | −12.2 (11) |
O5—Cu1—O2—C8 | −84.8 (7) | O5—Cu1—N1—C10' | −102.4 (11) |
O3—Cu1—O2—Nd1 | 7.6 (3) | O2—Cu1—N1—C10 | −167.9 (10) |
N1—Cu1—O2—Nd1 | −163.9 (3) | N2—Cu1—N1—C10 | 19.8 (11) |
O5—Cu1—O2—Nd1 | 102.3 (3) | O5—Cu1—N1—C10 | −70.3 (11) |
O3—Nd1—O2—C8 | −179.4 (7) | O3—Cu1—N2—C13 | 13.7 (8) |
O10—Nd1—O2—C8 | 71.1 (7) | N1—Cu1—N2—C13 | −174.8 (8) |
O6—Nd1—O2—C8 | −67.6 (6) | O5—Cu1—N2—C13 | −81.8 (8) |
O9—Nd1—O2—C8 | 96.1 (6) | O3—Cu1—N2—C12 | −163.5 (17) |
O7—Nd1—O2—C8 | −113.8 (6) | N1—Cu1—N2—C12 | 7.9 (17) |
O13—Nd1—O2—C8 | −64.7 (9) | O5—Cu1—N2—C12 | 101.0 (17) |
O12—Nd1—O2—C8 | −14.8 (7) | Nd1—O7—N3—O8 | −175.8 (7) |
O1—Nd1—O2—C8 | 18.1 (6) | Nd1—O7—N3—O6 | 7.7 (9) |
O4—Nd1—O2—C8 | 167.5 (6) | Nd1—O6—N3—O8 | 175.7 (7) |
O3—Nd1—O2—Cu1 | −6.7 (2) | Nd1—O6—N3—O7 | −7.8 (9) |
O10—Nd1—O2—Cu1 | −116.2 (3) | Nd1—O10—N4—O11 | 171.8 (9) |
O6—Nd1—O2—Cu1 | 105.1 (3) | Nd1—O10—N4—O9 | −6.4 (9) |
O9—Nd1—O2—Cu1 | −91.2 (3) | Nd1—O9—N4—O11 | −171.9 (10) |
O7—Nd1—O2—Cu1 | 58.9 (3) | Nd1—O9—N4—O10 | 6.2 (9) |
O13—Nd1—O2—Cu1 | 108.0 (5) | Nd1—O13—N5—O14 | 176.1 (7) |
O12—Nd1—O2—Cu1 | 157.9 (3) | Nd1—O13—N5—O12 | −5.2 (8) |
O1—Nd1—O2—Cu1 | −169.2 (4) | Nd1—O12—N5—O14 | −176.2 (7) |
O4—Nd1—O2—Cu1 | −19.8 (4) | Nd1—O12—N5—O13 | 5.1 (8) |
O2—Cu1—O3—C19 | 173.7 (7) | C3—O1—C2—C1 | 67.5 (11) |
N2—Cu1—O3—C19 | −13.7 (7) | Nd1—O1—C2—C1 | −105.7 (8) |
O5—Cu1—O3—C19 | 77.2 (6) | C2—O1—C3—C4 | 24.3 (13) |
O2—Cu1—O3—Nd1 | −7.5 (3) | Nd1—O1—C3—C4 | −162.2 (8) |
N2—Cu1—O3—Nd1 | 165.1 (3) | C2—O1—C3—C8 | −158.0 (7) |
O5—Cu1—O3—Nd1 | −104.1 (3) | Nd1—O1—C3—C8 | 15.5 (9) |
O2—Nd1—O3—C19 | −174.7 (7) | O1—C3—C4—C5 | 178.5 (9) |
O10—Nd1—O3—C19 | −54.6 (7) | C8—C3—C4—C5 | 1.0 (15) |
O6—Nd1—O3—C19 | 117.9 (7) | C3—C4—C5—C6 | 0.5 (17) |
O9—Nd1—O3—C19 | −88.4 (7) | C4—C5—C6—C7 | 1.1 (17) |
O7—Nd1—O3—C19 | 81.3 (7) | C5—C6—C7—C8 | −4.0 (15) |
O13—Nd1—O3—C19 | 29.6 (7) | C5—C6—C7—C9 | −179.5 (10) |
O12—Nd1—O3—C19 | 84.6 (10) | Cu1—O2—C8—C3 | 170.9 (6) |
O1—Nd1—O3—C19 | −156.9 (6) | Nd1—O2—C8—C3 | −17.5 (10) |
O4—Nd1—O3—C19 | −7.5 (6) | Cu1—O2—C8—C7 | −8.0 (11) |
O2—Nd1—O3—Cu1 | 6.6 (2) | Nd1—O2—C8—C7 | 163.6 (6) |
O10—Nd1—O3—Cu1 | 126.7 (3) | C4—C3—C8—O2 | 177.0 (8) |
O6—Nd1—O3—Cu1 | −60.8 (3) | O1—C3—C8—O2 | −0.8 (10) |
O9—Nd1—O3—Cu1 | 92.9 (3) | C4—C3—C8—C7 | −4.1 (13) |
O7—Nd1—O3—Cu1 | −97.4 (3) | O1—C3—C8—C7 | 178.2 (7) |
O13—Nd1—O3—Cu1 | −149.1 (2) | C6—C7—C8—O2 | −175.8 (8) |
O12—Nd1—O3—Cu1 | −94.1 (8) | C9—C7—C8—O2 | −0.7 (14) |
O1—Nd1—O3—Cu1 | 24.4 (4) | C6—C7—C8—C3 | 5.3 (12) |
O4—Nd1—O3—Cu1 | 173.8 (3) | C9—C7—C8—C3 | −179.5 (9) |
O2—Nd1—O4—C18 | 18.1 (6) | C10'—N1—C9—C7 | −164.5 (12) |
O3—Nd1—O4—C18 | 4.7 (5) | C10—N1—C9—C7 | 159.9 (12) |
O10—Nd1—O4—C18 | 144.3 (5) | Cu1—N1—C9—C7 | −2.2 (14) |
O6—Nd1—O4—C18 | −78.3 (6) | C8—C7—C9—N1 | 6.2 (16) |
O9—Nd1—O4—C18 | 92.2 (5) | C6—C7—C9—N1 | −178.7 (9) |
O7—Nd1—O4—C18 | −68.0 (5) | C9—N1—C10—C11 | 39 (2) |
O13—Nd1—O4—C18 | −143.9 (5) | C10'—N1—C10—C11 | −63.2 (14) |
O12—Nd1—O4—C18 | −159.5 (5) | Cu1—N1—C10—C11 | −156.7 (13) |
O1—Nd1—O4—C18 | 104.6 (6) | C9—N1—C10—C12 | 155.4 (16) |
O2—Nd1—O4—C20 | −162.8 (6) | C10'—N1—C10—C12 | 53 (2) |
O3—Nd1—O4—C20 | −176.2 (6) | Cu1—N1—C10—C12 | −40.5 (16) |
O10—Nd1—O4—C20 | −36.6 (6) | C9—N1—C10'—C11 | −31 (2) |
O6—Nd1—O4—C20 | 100.8 (6) | C10—N1—C10'—C11 | 65.9 (14) |
O9—Nd1—O4—C20 | −88.7 (6) | Cu1—N1—C10'—C11 | 164.2 (14) |
O7—Nd1—O4—C20 | 111.1 (6) | C9—N1—C10'—C12' | −167.3 (19) |
O13—Nd1—O4—C20 | 35.2 (6) | C10—N1—C10'—C12' | −70 (3) |
O12—Nd1—O4—C20 | 19.6 (7) | Cu1—N1—C10'—C12' | 28 (2) |
O1—Nd1—O4—C20 | −76.3 (7) | N1—C10'—C11—C10 | −65.8 (15) |
O2—Cu1—O5—C22 | 10.2 (12) | C12'—C10'—C11—C10 | 70 (3) |
O3—Cu1—O5—C22 | 93.4 (12) | N1—C10—C11—C10' | 62.9 (14) |
N2—Cu1—O5—C22 | −171.8 (12) | C12—C10—C11—C10' | −51 (3) |
N1—Cu1—O5—C22 | −86.4 (12) | C13—N2—C12—C10 | 148.7 (17) |
O2—Nd1—O6—N3 | −101.4 (6) | C12'—N2—C12—C10 | 85 (9) |
O3—Nd1—O6—N3 | −43.7 (6) | Cu1—N2—C12—C10 | −34 (3) |
O10—Nd1—O6—N3 | 127.1 (6) | N1—C10—C12—N2 | 48 (3) |
O9—Nd1—O6—N3 | −140.3 (5) | C11—C10—C12—N2 | 170 (2) |
O7—Nd1—O6—N3 | 4.6 (5) | C13—N2—C12'—C10' | −168.5 (18) |
O13—Nd1—O6—N3 | 79.7 (6) | C12—N2—C12'—C10' | −45 (7) |
O12—Nd1—O6—N3 | 128.1 (6) | Cu1—N2—C12'—C10' | 22 (3) |
O1—Nd1—O6—N3 | −163.2 (6) | N1—C10'—C12'—N2 | −32 (3) |
O4—Nd1—O6—N3 | 18.1 (7) | C11—C10'—C12'—N2 | −169.8 (19) |
O2—Nd1—O7—N3 | 64.6 (6) | C12'—N2—C13—C14 | −175 (2) |
O3—Nd1—O7—N3 | 124.3 (7) | C12—N2—C13—C14 | 171 (2) |
O10—Nd1—O7—N3 | −121.4 (6) | Cu1—N2—C13—C14 | −6.1 (13) |
O6—Nd1—O7—N3 | −4.6 (5) | N2—C13—C14—C15 | 177.3 (9) |
O9—Nd1—O7—N3 | 145.0 (5) | N2—C13—C14—C19 | −6.6 (14) |
O13—Nd1—O7—N3 | −98.3 (6) | C19—C14—C15—C16 | 2.0 (13) |
O12—Nd1—O7—N3 | −54.9 (6) | C13—C14—C15—C16 | 178.2 (9) |
O1—Nd1—O7—N3 | 10.5 (7) | C14—C15—C16—C17 | −3.0 (15) |
O4—Nd1—O7—N3 | −173.6 (6) | C15—C16—C17—C18 | 1.0 (14) |
O2—Nd1—O9—N4 | −158.2 (6) | C16—C17—C18—C19 | 2.0 (13) |
O3—Nd1—O9—N4 | 138.3 (6) | C16—C17—C18—O4 | −179.1 (8) |
O10—Nd1—O9—N4 | −3.7 (5) | C20—O4—C18—C19 | 178.2 (7) |
O6—Nd1—O9—N4 | −120.3 (7) | Nd1—O4—C18—C19 | −2.7 (8) |
O7—Nd1—O9—N4 | 118.8 (7) | C20—O4—C18—C17 | −0.8 (11) |
O13—Nd1—O9—N4 | 13.8 (6) | Nd1—O4—C18—C17 | 178.3 (6) |
O12—Nd1—O9—N4 | −39.9 (6) | Cu1—O3—C19—C18 | −172.3 (5) |
O1—Nd1—O9—N4 | −97.1 (6) | Nd1—O3—C19—C18 | 9.2 (10) |
O4—Nd1—O9—N4 | 77.2 (5) | Cu1—O3—C19—C14 | 6.4 (11) |
O2—Nd1—O10—N4 | 36.6 (7) | Nd1—O3—C19—C14 | −172.1 (6) |
O3—Nd1—O10—N4 | −41.6 (6) | C17—C18—C19—O3 | 175.8 (7) |
O6—Nd1—O10—N4 | 148.9 (5) | O4—C18—C19—O3 | −3.3 (10) |
O9—Nd1—O10—N4 | 3.7 (5) | C17—C18—C19—C14 | −2.9 (12) |
O7—Nd1—O10—N4 | −135.9 (6) | O4—C18—C19—C14 | 178.0 (7) |
O13—Nd1—O10—N4 | −159.7 (6) | C15—C14—C19—O3 | −177.6 (8) |
O12—Nd1—O10—N4 | 147.9 (6) | C13—C14—C19—O3 | 6.4 (13) |
O1—Nd1—O10—N4 | 80.8 (6) | C15—C14—C19—C18 | 1.0 (12) |
O4—Nd1—O10—N4 | −82.7 (6) | C13—C14—C19—C18 | −175.0 (8) |
O2—Nd1—O12—N5 | −160.6 (5) | C18—O4—C20—C21 | 78.0 (9) |
O3—Nd1—O12—N5 | −67.2 (10) | Nd1—O4—C20—C21 | −101.1 (7) |
O10—Nd1—O12—N5 | 76.2 (5) |
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H5O···O14i | 0.82 | 2.08 | 2.89 (1) | 165 |
Symmetry code: (i) −x+1, y+1/2, −z+1/2. |
Experimental details
Crystal data | |
Chemical formula | [CuNd(C21H22N2O4)(NO3)3(CH4O)] |
Mr | 794.27 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 295 |
a, b, c (Å) | 9.2004 (4), 20.5069 (8), 15.6901 (6) |
β (°) | 93.111 (1) |
V (Å3) | 2955.9 (2) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 2.53 |
Crystal size (mm) | 0.34 × 0.13 × 0.11 |
Data collection | |
Diffractometer | Bruker APEXII area-detector |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.426, 0.768 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 21321, 6644, 5212 |
Rint | 0.027 |
(sin θ/λ)max (Å−1) | 0.650 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.052, 0.154, 1.14 |
No. of reflections | 6644 |
No. of parameters | 395 |
No. of restraints | 10 |
H-atom treatment | H-atom parameters constrained |
w = 1/[σ2(Fo2) + (0.0498P)2 + 17.0691P] where P = (Fo2 + 2Fc2)/3 | |
Δρmax, Δρmin (e Å−3) | 1.04, −0.68 |
Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), X-SEED (Barbour, 2001), publCIF (Westrip, 2007).
Nd1—O1 | 2.641 (5) | Nd1—O12 | 2.600 (6) |
Nd1—O2 | 2.408 (5) | Nd1—O13 | 2.567 (6) |
Nd1—O3 | 2.424 (5) | Cu1—O2 | 1.899 (5) |
Nd1—O4 | 2.666 (5) | Cu1—O3 | 1.918 (5) |
Nd1—O6 | 2.511 (7) | Cu1—O5 | 2.351 (7) |
Nd1—O7 | 2.545 (7) | Cu1—N1 | 1.925 (7) |
Nd1—O9 | 2.530 (7) | Cu1—N2 | 1.918 (7) |
Nd1—O10 | 2.487 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H5O···O14i | 0.82 | 2.08 | 2.89 (1) | 165 |
Symmetry code: (i) −x+1, y+1/2, −z+1/2. |
The isostructural lutetium compound is described in the preceding report (Sui et al., 2007).