{μ-6,6′-Dimeth­oxy-2,2′-[propane-1,3-diylbis(nitrilo­methyl­idyne)]diphenolato}trinitratocopper(II)erbium(III) acetone solvate

Xing, J.-C.; Bo, Y.-L.; Zhang, B.; Li, W.-Z.

doi:10.1107/S1600536809037787

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 11| November 2009| Page m1299

https://doi.org/10.1107/S1600536809037787

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{μ-6,6′-Dimethoxy-2,2′-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)erbium(III) acetone solvate

Jing-Chun Xing,^a Yu-Long Bo,^a Bing Zhang ^a and Wen-Zhi Li ^a ^*

^aDepartment of Anesthesiology, The Second Affiliated Hospital, Harbin Medical University, Harbin 150081, People's Republic of China
^*Correspondence e-mail: wenzhi_li2001@yahoo.cn

(Received 3 September 2009; accepted 18 September 2009; online 3 October 2009)

In the title complex, [CuEr(C₁₉H₂₀N₂O₄)(NO₃)₃]·CH₃COCH₃, the Cu^II ion is coordinated in a square-planar environment by two O atoms and two N atoms of a Schiff base ligand. The Er^III ion is bis-chelated by three nitrate ligands and coordinated by four O atoms of the Schiff base ligand in a slightly distorted bicapped square-antiprismatic environment.

Related literature

For a similar copper–lanthanide complex of the same Schiff base ligand as in the title compound, see: Xing et al. (2008 ). For the isostuctural Sm analog, see: Wang et al. (2008 ).

Experimental

Crystal data

[CuEr(C₁₉H₂₀N₂O₄)(NO₃)₃]·C₃H₆O
M_r = 815.28
Triclinic, $[P \overline 1]$
a = 9.4142 (19) Å
b = 12.151 (2) Å
c = 13.439 (3) Å
α = 73.06 (3)°
β = 87.30 (3)°
γ = 72.22 (3)°
V = 1398.9 (6) Å³
Z = 2
Mo Kα radiation
μ = 3.82 mm⁻¹
T = 295 K
0.34 × 0.28 × 0.20 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.280, T_max = 0.460
13866 measured reflections
6335 independent reflections
5654 reflections with I > 2σ(I)
R_int = 0.035

Refinement

R[F² > 2σ(F²)] = 0.031
wR(F²) = 0.094
S = 1.12
6335 reflections
388 parameters
H-atom parameters constrained
Δρ_max = 1.65 e Å⁻³
Δρ_min = −0.99 e Å⁻³

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536809037787/lh2899sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536809037787/lh2899Isup2.hkl

checkCIF report

Comment top

The molecular structure of the title complex (I) is shown in Fig. 1. The octadentate Schiff base ligand links the Cu and Er atoms into a dinuclear complex through two phenolate O atoms, which is similar to the coorination in other copper-lanthanide complexes of the same ligand (Xing et al., 2008 and Wang et al., 2008). The Er^III ion in (I) is ten-coordinated by four oxygen atoms from the ligand and six oxygen atoms from three nitrate ions. The Cu^II center is four-coordinate by two nitrogen atoms and two oxygen atoms from the ligand. The title compound is isostructural with the Sm analog (Wang et al., 2008).

Related literature top

For a similar copper–lanthanide complex of the same Schiff base ligand as in the title compound, see: Xing et al. (2008). For the isostuctural Sm analog, see: Wang et al. (2008).

Experimental top

The title complex was obtained by the treatment of copper(II) acetate monohydrate (0.0499 g, 0.25 mmol) with the Schiff base (0.0855 g, 0.25 mmol) in methanol/acetone (20 ml:5 ml) at room temperature. Then the mixture was refluxed for 3 h after the addition of Erbium (III) nitrate hexahydrate (0.1150 g, 0.25 mmol). The reaction mixture was cooled and filtered; diethyl ether was allowed to diffuse slowly into the solution of the filtrate. Single crystals were obtained after several days. Analysis calculated for C₂₂H₂₆CuN₅O₁₄Er: C, 32.41; H, 3.21; Cu, 7.79; N, 8.59; Er, 20.52; found: C, 32.40; H, 3.24; Cu, 7.82; N, 8.50; Er, 20.44%.

Structure description top

For a similar copper–lanthanide complex of the same Schiff base ligand as in the title compound, see: Xing et al. (2008). For the isostuctural Sm analog, see: Wang et al. (2008).

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: PLEASE SUPPLY.

Figures top

Fig. 1. The molecular structure of (I), showing 40% probability displacement ellipsoids. The solvent acetone molecule has been omitted for clarity.

{µ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)] diphenolato}-trinitratocopper(II)erbium(III) acetone solvate top

Crystal data top

[CuEr(C₁₉H₂₀N₂O₄)(NO₃)₃]·C₃H₆O	Z = 2
M_r = 815.28	F(000) = 804
Triclinic, P1	D_x = 1.936 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.4142 (19) Å	Cell parameters from 12092 reflections
b = 12.151 (2) Å	θ = 3.2–27.5°
c = 13.439 (3) Å	µ = 3.82 mm⁻¹
α = 73.06 (3)°	T = 295 K
β = 87.30 (3)°	Prism, green
γ = 72.22 (3)°	0.34 × 0.28 × 0.20 mm
V = 1398.9 (6) Å³

Data collection top

Rigaku R-AXIS RAPID diffractometer	6335 independent reflections
Radiation source: fine-focus sealed tube	5654 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.035
Detector resolution: 10.000 pixels mm^-1	θ_max = 27.5°, θ_min = 3.2°
ω scans	h = −12→12
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −15→15
T_min = 0.280, T_max = 0.460	l = −17→17
13866 measured reflections

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)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.094	H-atom parameters constrained
S = 1.12	w = 1/[σ²(F_o²) + (0.0461P)² + 0.9007P] where P = (F_o² + 2F_c²)/3
6335 reflections	(Δ/σ)_max = 0.001
388 parameters	Δρ_max = 1.65 e Å⁻³
0 restraints	Δρ_min = −0.99 e Å⁻³

Crystal data top

[CuEr(C₁₉H₂₀N₂O₄)(NO₃)₃]·C₃H₆O	γ = 72.22 (3)°
M_r = 815.28	V = 1398.9 (6) Å³
Triclinic, P1	Z = 2
a = 9.4142 (19) Å	Mo Kα radiation
b = 12.151 (2) Å	µ = 3.82 mm⁻¹
c = 13.439 (3) Å	T = 295 K
α = 73.06 (3)°	0.34 × 0.28 × 0.20 mm
β = 87.30 (3)°

Data collection top

Rigaku R-AXIS RAPID diffractometer	6335 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	5654 reflections with I > 2σ(I)
T_min = 0.280, T_max = 0.460	R_int = 0.035
13866 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.031	0 restraints
wR(F²) = 0.094	H-atom parameters constrained
S = 1.12	Δρ_max = 1.65 e Å⁻³
6335 reflections	Δρ_min = −0.99 e Å⁻³
388 parameters

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	U_iso*/U_eq
Er1	0.284132 (18)	0.379681 (15)	0.235573 (12)	0.03650 (8)
Cu1	0.24382 (5)	0.25719 (4)	0.49507 (4)	0.03768 (12)
O1	0.0400 (3)	0.5379 (3)	0.1950 (2)	0.0443 (7)
O2	0.1287 (3)	0.3758 (3)	0.3737 (2)	0.0428 (7)
O3	0.3995 (3)	0.2715 (3)	0.3972 (2)	0.0447 (7)
O4	0.5566 (3)	0.3518 (3)	0.2453 (2)	0.0455 (7)
O5	0.4222 (4)	0.2371 (3)	0.1410 (3)	0.0523 (8)
O6	0.3039 (4)	0.4163 (3)	0.0500 (2)	0.0505 (7)
O7	0.4131 (5)	0.2827 (4)	−0.0280 (3)	0.0744 (11)
O8	0.3112 (4)	0.5285 (3)	0.3148 (3)	0.0557 (8)
O9	0.3219 (4)	0.5766 (3)	0.1492 (3)	0.0505 (7)
O10	0.3292 (5)	0.7046 (3)	0.2321 (4)	0.0770 (12)
O11	0.1004 (4)	0.3040 (3)	0.1763 (3)	0.0548 (8)
O12	0.2438 (4)	0.1704 (3)	0.3018 (3)	0.0619 (9)
O13	0.0792 (5)	0.1221 (4)	0.2308 (4)	0.0813 (13)
O14	0.2030 (8)	0.0889 (4)	0.9258 (4)	0.115 (2)
N1	0.0630 (4)	0.2643 (3)	0.5754 (3)	0.0393 (7)
N2	0.3884 (4)	0.1296 (3)	0.6007 (3)	0.0492 (9)
N3	0.3809 (4)	0.3102 (4)	0.0518 (3)	0.0473 (9)
N4	0.3225 (4)	0.6072 (4)	0.2318 (3)	0.0493 (9)
N5	0.1395 (5)	0.1959 (4)	0.2355 (3)	0.0530 (10)
C1	−0.0108 (6)	0.6118 (5)	0.0893 (4)	0.0590 (13)
H1A	−0.1081	0.6675	0.0901	0.089*
H1B	−0.0157	0.5608	0.0477	0.089*
H1C	0.0578	0.6559	0.0604	0.089*
C2	−0.0648 (4)	0.5340 (4)	0.2695 (3)	0.0384 (8)
C3	−0.2116 (5)	0.6072 (4)	0.2560 (4)	0.0451 (10)
H3	−0.2465	0.6643	0.1922	0.054*
C4	−0.3060 (5)	0.5955 (5)	0.3372 (4)	0.0549 (12)
H4	−0.4044	0.6455	0.3280	0.066*
C5	−0.2569 (5)	0.5111 (5)	0.4311 (4)	0.0499 (11)
H5	−0.3220	0.5039	0.4851	0.060*
C6	−0.1079 (4)	0.4351 (4)	0.4466 (3)	0.0404 (9)
C7	−0.0130 (4)	0.4454 (3)	0.3666 (3)	0.0352 (8)
C8	−0.0651 (5)	0.3414 (4)	0.5451 (3)	0.0429 (9)
H8	−0.1403	0.3369	0.5921	0.051*
C9	0.0683 (6)	0.1750 (5)	0.6789 (3)	0.0544 (12)
H9A	−0.0292	0.1634	0.6914	0.065*
H9B	0.0911	0.2068	0.7325	0.065*
C10	0.1825 (7)	0.0557 (4)	0.6868 (4)	0.0637 (15)
H10A	0.1631	−0.0050	0.7463	0.076*
H10B	0.1730	0.0323	0.6249	0.076*
C11	0.3380 (7)	0.0585 (6)	0.6980 (4)	0.0768 (19)
H11A	0.3436	0.0932	0.7536	0.092*
H11B	0.4050	−0.0236	0.7176	0.092*
C12	0.5321 (5)	0.1042 (4)	0.5936 (4)	0.0511 (11)
H12	0.5889	0.0454	0.6504	0.061*
C13	0.6146 (5)	0.1543 (4)	0.5107 (3)	0.0425 (9)
C14	0.7721 (5)	0.1157 (4)	0.5224 (4)	0.0535 (12)
H14	0.8187	0.0614	0.5846	0.064*
C15	0.8563 (5)	0.1568 (4)	0.4440 (4)	0.0537 (12)
H15	0.9598	0.1312	0.4533	0.064*
C16	0.7885 (5)	0.2370 (4)	0.3499 (4)	0.0471 (10)
H16	0.8468	0.2649	0.2966	0.057*
C17	0.6367 (4)	0.2750 (4)	0.3353 (3)	0.0379 (8)
C18	0.5468 (4)	0.2343 (4)	0.4153 (3)	0.0368 (8)
C19	0.6431 (5)	0.3926 (5)	0.1567 (4)	0.0560 (12)
H19A	0.7455	0.3717	0.1796	0.084*
H19B	0.6036	0.4787	0.1279	0.084*
H19C	0.6369	0.3543	0.1046	0.084*
C20	0.3352 (10)	−0.0198 (6)	1.0866 (6)	0.093 (2)
H20A	0.3551	0.0547	1.0809	0.139*
H20B	0.4276	−0.0820	1.0879	0.139*
H20C	0.2851	−0.0422	1.1497	0.139*
C21	0.2392 (8)	−0.0040 (5)	0.9963 (5)	0.0739 (17)
C22	0.1955 (10)	−0.1108 (7)	0.9935 (7)	0.106 (3)
H22A	0.1320	−0.0899	0.9327	0.159*
H22B	0.1427	−0.1356	1.0547	0.159*
H22C	0.2834	−0.1758	0.9913	0.159*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Er1	0.03547 (11)	0.03660 (11)	0.02831 (10)	−0.00615 (8)	−0.00097 (7)	−0.00057 (8)
Cu1	0.0400 (2)	0.0358 (2)	0.0294 (2)	−0.0080 (2)	−0.00022 (19)	−0.0010 (2)
O1	0.0421 (15)	0.0431 (16)	0.0349 (14)	−0.0055 (13)	−0.0055 (12)	0.0009 (13)
O2	0.0366 (14)	0.0444 (16)	0.0343 (14)	−0.0014 (12)	0.0014 (12)	−0.0032 (13)
O3	0.0329 (13)	0.0505 (17)	0.0325 (14)	−0.0021 (13)	−0.0021 (11)	0.0044 (13)
O4	0.0379 (14)	0.0522 (17)	0.0390 (15)	−0.0166 (13)	0.0020 (12)	0.0008 (14)
O5	0.0521 (17)	0.0488 (18)	0.0483 (18)	−0.0082 (15)	−0.0009 (15)	−0.0095 (15)
O6	0.0604 (19)	0.0447 (17)	0.0377 (16)	−0.0081 (15)	0.0055 (14)	−0.0077 (14)
O7	0.081 (3)	0.094 (3)	0.053 (2)	−0.018 (2)	0.0095 (19)	−0.039 (2)
O8	0.065 (2)	0.0537 (19)	0.0421 (17)	−0.0119 (17)	0.0031 (15)	−0.0118 (15)
O9	0.0586 (19)	0.0478 (17)	0.0427 (17)	−0.0194 (15)	0.0029 (15)	−0.0062 (14)
O10	0.098 (3)	0.047 (2)	0.090 (3)	−0.028 (2)	−0.012 (2)	−0.018 (2)
O11	0.0509 (18)	0.0488 (18)	0.057 (2)	−0.0146 (15)	0.0011 (15)	−0.0046 (16)
O12	0.070 (2)	0.0414 (18)	0.063 (2)	−0.0108 (17)	−0.0010 (19)	−0.0039 (17)
O13	0.079 (3)	0.067 (2)	0.116 (4)	−0.041 (2)	0.025 (3)	−0.037 (3)
O14	0.172 (6)	0.067 (3)	0.074 (3)	−0.017 (3)	0.004 (3)	0.005 (3)
N1	0.0461 (18)	0.0417 (18)	0.0320 (16)	−0.0179 (16)	0.0033 (14)	−0.0088 (15)
N2	0.059 (2)	0.0365 (18)	0.0332 (18)	0.0025 (17)	0.0028 (17)	−0.0005 (15)
N3	0.0436 (19)	0.058 (2)	0.043 (2)	−0.0201 (18)	0.0057 (16)	−0.0151 (18)
N4	0.047 (2)	0.045 (2)	0.052 (2)	−0.0138 (17)	0.0009 (18)	−0.0081 (18)
N5	0.050 (2)	0.047 (2)	0.062 (2)	−0.0163 (18)	0.0155 (19)	−0.015 (2)
C1	0.063 (3)	0.054 (3)	0.039 (2)	0.000 (2)	−0.014 (2)	0.000 (2)
C2	0.0380 (19)	0.0355 (19)	0.041 (2)	−0.0053 (16)	−0.0058 (17)	−0.0156 (17)
C3	0.039 (2)	0.043 (2)	0.051 (2)	−0.0037 (18)	−0.0100 (19)	−0.017 (2)
C4	0.033 (2)	0.059 (3)	0.071 (3)	0.000 (2)	−0.007 (2)	−0.031 (3)
C5	0.037 (2)	0.060 (3)	0.058 (3)	−0.012 (2)	0.005 (2)	−0.027 (2)
C6	0.040 (2)	0.043 (2)	0.044 (2)	−0.0165 (17)	0.0017 (17)	−0.0168 (18)
C7	0.0326 (17)	0.0333 (18)	0.040 (2)	−0.0084 (15)	−0.0019 (16)	−0.0120 (16)
C8	0.046 (2)	0.051 (2)	0.041 (2)	−0.024 (2)	0.0119 (18)	−0.0196 (19)
C9	0.063 (3)	0.063 (3)	0.034 (2)	−0.027 (2)	0.006 (2)	−0.001 (2)
C10	0.107 (5)	0.042 (2)	0.040 (2)	−0.030 (3)	0.011 (3)	−0.004 (2)
C11	0.081 (4)	0.064 (3)	0.042 (3)	0.009 (3)	0.006 (3)	0.015 (3)
C12	0.059 (3)	0.040 (2)	0.037 (2)	0.006 (2)	−0.011 (2)	−0.0074 (19)
C13	0.043 (2)	0.037 (2)	0.042 (2)	−0.0014 (17)	−0.0072 (18)	−0.0139 (18)
C14	0.048 (2)	0.045 (2)	0.057 (3)	0.004 (2)	−0.024 (2)	−0.016 (2)
C15	0.041 (2)	0.050 (3)	0.072 (3)	−0.011 (2)	−0.010 (2)	−0.021 (2)
C16	0.038 (2)	0.045 (2)	0.062 (3)	−0.0136 (18)	0.000 (2)	−0.020 (2)
C17	0.0371 (19)	0.0336 (19)	0.041 (2)	−0.0082 (16)	−0.0011 (17)	−0.0110 (17)
C18	0.0331 (18)	0.0357 (19)	0.039 (2)	−0.0049 (16)	−0.0026 (16)	−0.0117 (17)
C19	0.050 (3)	0.071 (3)	0.049 (3)	−0.031 (2)	0.012 (2)	−0.009 (2)
C20	0.135 (7)	0.064 (4)	0.082 (5)	−0.034 (4)	0.013 (5)	−0.022 (4)
C21	0.090 (4)	0.056 (3)	0.060 (3)	−0.010 (3)	0.014 (3)	−0.009 (3)
C22	0.116 (6)	0.086 (5)	0.099 (6)	−0.029 (5)	−0.023 (5)	0.001 (4)

Geometric parameters (Å, º) top

Er1—O3	2.305 (3)	C2—C7	1.421 (6)
Er1—O2	2.307 (3)	C3—C4	1.377 (7)
Er1—O6	2.411 (3)	C3—H3	0.9300
Er1—O8	2.428 (4)	C4—C5	1.367 (7)
Er1—O11	2.449 (4)	C4—H4	0.9300
Er1—O5	2.461 (3)	C5—C6	1.410 (6)
Er1—O9	2.462 (3)	C5—H5	0.9300
Er1—O1	2.466 (3)	C6—C7	1.367 (6)
Er1—O4	2.487 (3)	C6—C8	1.451 (6)
Er1—O12	2.577 (4)	C8—H8	0.9300
Er1—N3	2.859 (4)	C9—C10	1.496 (7)
Er1—N4	2.880 (4)	C9—H9A	0.9700
Cu1—O3	1.936 (3)	C9—H9B	0.9700
Cu1—O2	1.938 (3)	C10—C11	1.490 (9)
Cu1—N1	1.966 (4)	C10—H10A	0.9700
Cu1—N2	1.970 (4)	C10—H10B	0.9700
O1—C2	1.372 (5)	C11—H11A	0.9700
O1—C1	1.453 (5)	C11—H11B	0.9700
O2—C7	1.334 (5)	C12—C13	1.424 (7)
O3—C18	1.331 (5)	C12—H12	0.9300
O4—C17	1.379 (5)	C13—C18	1.402 (6)
O4—C19	1.462 (5)	C13—C14	1.413 (6)
O5—N3	1.261 (5)	C14—C15	1.358 (8)
O6—N3	1.265 (5)	C14—H14	0.9300
O7—N3	1.213 (5)	C15—C16	1.391 (7)
O8—N4	1.265 (5)	C15—H15	0.9300
O9—N4	1.270 (5)	C16—C17	1.365 (6)
O10—N4	1.207 (5)	C16—H16	0.9300
O11—N5	1.272 (5)	C17—C18	1.406 (6)
O12—N5	1.261 (6)	C19—H19A	0.9600
O13—N5	1.215 (6)	C19—H19B	0.9600
O14—C21	1.208 (7)	C19—H19C	0.9600
N1—C8	1.277 (6)	C20—C21	1.479 (10)
N1—C9	1.486 (5)	C20—H20A	0.9600
N2—C12	1.298 (6)	C20—H20B	0.9600
N2—C11	1.488 (6)	C20—H20C	0.9600
C1—H1A	0.9600	C21—C22	1.487 (10)
C1—H1B	0.9600	C22—H22A	0.9600
C1—H1C	0.9600	C22—H22B	0.9600
C2—C3	1.384 (5)	C22—H22C	0.9600

O3—Er1—O2	64.59 (10)	O7—N3—O6	121.3 (4)
O3—Er1—O6	145.86 (11)	O5—N3—O6	115.7 (4)
O2—Er1—O6	146.93 (11)	O7—N3—Er1	176.1 (3)
O3—Er1—O8	74.16 (12)	O5—N3—Er1	59.1 (2)
O2—Er1—O8	73.18 (12)	O6—N3—Er1	56.8 (2)
O6—Er1—O8	119.26 (12)	O10—N4—O8	121.7 (5)
O3—Er1—O11	116.36 (11)	O10—N4—O9	123.3 (4)
O2—Er1—O11	80.36 (12)	O8—N4—O9	114.9 (4)
O6—Er1—O11	72.98 (12)	O10—N4—Er1	175.8 (4)
O8—Er1—O11	143.46 (12)	O8—N4—Er1	56.7 (2)
O3—Er1—O5	97.20 (11)	O9—N4—Er1	58.3 (2)
O2—Er1—O5	136.85 (11)	O13—N5—O12	121.7 (4)
O6—Er1—O5	52.05 (11)	O13—N5—O11	122.9 (5)
O8—Er1—O5	142.31 (12)	O12—N5—O11	115.4 (4)
O11—Er1—O5	73.57 (12)	O1—C1—H1A	109.5
O3—Er1—O9	118.34 (12)	O1—C1—H1B	109.5
O2—Er1—O9	115.44 (12)	H1A—C1—H1B	109.5
O6—Er1—O9	67.51 (12)	O1—C1—H1C	109.5
O8—Er1—O9	51.80 (11)	H1A—C1—H1C	109.5
O11—Er1—O9	124.51 (11)	H1B—C1—H1C	109.5
O5—Er1—O9	107.65 (11)	O1—C2—C3	125.3 (4)
O3—Er1—O1	127.79 (10)	O1—C2—C7	115.0 (3)
O2—Er1—O1	65.96 (10)	C3—C2—C7	119.7 (4)
O6—Er1—O1	86.32 (11)	C4—C3—C2	119.9 (4)
O8—Er1—O1	76.69 (11)	C4—C3—H3	120.1
O11—Er1—O1	69.64 (11)	C2—C3—H3	120.1
O5—Er1—O1	130.94 (11)	C5—C4—C3	120.8 (4)
O9—Er1—O1	70.46 (11)	C5—C4—H4	119.6
O3—Er1—O4	65.50 (10)	C3—C4—H4	119.6
O2—Er1—O4	125.70 (10)	C4—C5—C6	120.4 (4)
O6—Er1—O4	87.19 (11)	C4—C5—H5	119.8
O8—Er1—O4	74.01 (12)	C6—C5—H5	119.8
O11—Er1—O4	142.51 (12)	C7—C6—C5	119.5 (4)
O5—Er1—O4	69.17 (11)	C7—C6—C8	122.3 (4)
O9—Er1—O4	72.36 (11)	C5—C6—C8	117.9 (4)
O1—Er1—O4	141.89 (11)	O2—C7—C6	123.6 (4)
O3—Er1—O12	67.96 (12)	O2—C7—C2	116.7 (4)
O2—Er1—O12	70.50 (12)	C6—C7—C2	119.7 (4)
O6—Er1—O12	104.96 (12)	N1—C8—C6	128.1 (4)
O8—Er1—O12	135.75 (12)	N1—C8—H8	115.9
O11—Er1—O12	50.34 (12)	C6—C8—H8	115.9
O5—Er1—O12	66.38 (12)	N1—C9—C10	112.3 (4)
O9—Er1—O12	172.45 (11)	N1—C9—H9A	109.1
O1—Er1—O12	109.52 (12)	C10—C9—H9A	109.1
O4—Er1—O12	108.45 (12)	N1—C9—H9B	109.1
O3—Er1—N3	122.43 (11)	C10—C9—H9B	109.1
O2—Er1—N3	149.55 (11)	H9A—C9—H9B	107.9
O6—Er1—N3	26.04 (10)	C11—C10—C9	112.6 (5)
O8—Er1—N3	136.47 (12)	C11—C10—H10A	109.1
O11—Er1—N3	70.11 (11)	C9—C10—H10A	109.1
O5—Er1—N3	26.06 (10)	C11—C10—H10B	109.1
O9—Er1—N3	88.22 (12)	C9—C10—H10B	109.1
O1—Er1—N3	108.59 (11)	H10A—C10—H10B	107.8
O4—Er1—N3	78.13 (11)	N2—C11—C10	112.7 (4)
O12—Er1—N3	84.66 (12)	N2—C11—H11A	109.0
O3—Er1—N4	96.72 (12)	C10—C11—H11A	109.0
O2—Er1—N4	93.97 (12)	N2—C11—H11B	109.0
O6—Er1—N4	93.52 (12)	C10—C11—H11B	109.0
O8—Er1—N4	25.80 (11)	H11A—C11—H11B	107.8
O11—Er1—N4	138.97 (11)	N2—C12—C13	128.7 (4)
O5—Er1—N4	128.06 (12)	N2—C12—H12	115.7
O9—Er1—N4	26.01 (11)	C13—C12—H12	115.7
O1—Er1—N4	71.00 (11)	C18—C13—C14	118.5 (4)
O4—Er1—N4	71.98 (11)	C18—C13—C12	122.8 (4)
O12—Er1—N4	161.53 (13)	C14—C13—C12	118.6 (4)
N3—Er1—N4	113.03 (12)	C15—C14—C13	121.0 (4)
O3—Cu1—O2	79.02 (12)	C15—C14—H14	119.5
O3—Cu1—N1	170.25 (13)	C13—C14—H14	119.5
O2—Cu1—N1	91.24 (14)	C14—C15—C16	120.2 (4)
O3—Cu1—N2	91.25 (14)	C14—C15—H15	119.9
O2—Cu1—N2	169.75 (14)	C16—C15—H15	119.9
N1—Cu1—N2	98.50 (15)	C17—C16—C15	120.4 (5)
O3—Cu1—Er1	40.01 (8)	C17—C16—H16	119.8
O2—Cu1—Er1	40.10 (9)	C15—C16—H16	119.8
N1—Cu1—Er1	130.49 (10)	C16—C17—O4	125.9 (4)
N2—Cu1—Er1	129.72 (11)	C16—C17—C18	120.5 (4)
C2—O1—C1	117.8 (3)	O4—C17—C18	113.5 (3)
C2—O1—Er1	117.6 (2)	O3—C18—C13	122.0 (4)
C1—O1—Er1	122.3 (3)	O3—C18—C17	118.6 (3)
C7—O2—Cu1	128.8 (3)	C13—C18—C17	119.3 (4)
C7—O2—Er1	124.1 (2)	O4—C19—H19A	109.5
Cu1—O2—Er1	107.16 (12)	O4—C19—H19B	109.5
C18—O3—Cu1	129.0 (3)	H19A—C19—H19B	109.5
C18—O3—Er1	123.6 (2)	O4—C19—H19C	109.5
Cu1—O3—Er1	107.31 (12)	H19A—C19—H19C	109.5
C17—O4—C19	116.6 (3)	H19B—C19—H19C	109.5
C17—O4—Er1	117.7 (2)	C21—C20—H20A	109.5
C19—O4—Er1	124.7 (3)	C21—C20—H20B	109.5
N3—O5—Er1	94.9 (3)	H20A—C20—H20B	109.5
N3—O6—Er1	97.2 (2)	C21—C20—H20C	109.5
N4—O8—Er1	97.5 (3)	H20A—C20—H20C	109.5
N4—O9—Er1	95.7 (2)	H20B—C20—H20C	109.5
N5—O11—Er1	100.0 (3)	O14—C21—C20	122.2 (7)
N5—O12—Er1	94.1 (3)	O14—C21—C22	121.1 (7)
C8—N1—C9	115.0 (4)	C20—C21—C22	116.6 (6)
C8—N1—Cu1	124.7 (3)	C21—C22—H22A	109.5
C9—N1—Cu1	120.3 (3)	C21—C22—H22B	109.5
C12—N2—C11	115.1 (4)	H22A—C22—H22B	109.5
C12—N2—Cu1	123.6 (3)	C21—C22—H22C	109.5
C11—N2—Cu1	121.2 (3)	H22A—C22—H22C	109.5
O7—N3—O5	123.1 (4)	H22B—C22—H22C	109.5

O2—Er1—Cu1—O3	−162.7 (2)	N4—Er1—O6—N3	140.1 (3)
O6—Er1—Cu1—O3	96.4 (3)	O3—Er1—O8—N4	150.0 (3)
O8—Er1—Cu1—O3	−82.27 (18)	O2—Er1—O8—N4	−142.3 (3)
O11—Er1—Cu1—O3	133.69 (18)	O6—Er1—O8—N4	4.2 (3)
O5—Er1—Cu1—O3	59.59 (18)	O11—Er1—O8—N4	−96.9 (3)
O9—Er1—Cu1—O3	−84.40 (19)	O5—Er1—O8—N4	68.9 (3)
O1—Er1—Cu1—O3	−156.20 (17)	O9—Er1—O8—N4	1.7 (2)
O4—Er1—Cu1—O3	−10.88 (17)	O1—Er1—O8—N4	−73.8 (3)
O12—Er1—Cu1—O3	96.10 (19)	O4—Er1—O8—N4	81.6 (3)
N3—Er1—Cu1—O3	69.6 (2)	O12—Er1—O8—N4	−178.2 (2)
N4—Er1—Cu1—O3	−83.96 (18)	N3—Er1—O8—N4	29.3 (3)
O3—Er1—Cu1—O2	162.7 (2)	O3—Er1—O9—N4	−36.7 (3)
O6—Er1—Cu1—O2	−100.8 (3)	O2—Er1—O9—N4	36.9 (3)
O8—Er1—Cu1—O2	80.46 (17)	O6—Er1—O9—N4	−179.3 (3)
O11—Er1—Cu1—O2	−63.58 (17)	O8—Er1—O9—N4	−1.7 (2)
O5—Er1—Cu1—O2	−137.68 (17)	O11—Er1—O9—N4	132.7 (2)
O9—Er1—Cu1—O2	78.33 (18)	O5—Er1—O9—N4	−145.4 (2)
O1—Er1—Cu1—O2	6.52 (17)	O1—Er1—O9—N4	86.5 (3)
O4—Er1—Cu1—O2	151.84 (17)	O4—Er1—O9—N4	−84.9 (3)
O12—Er1—Cu1—O2	−101.18 (18)	N3—Er1—O9—N4	−163.0 (3)
N3—Er1—Cu1—O2	−127.69 (19)	O3—Er1—O11—N5	−19.5 (3)
N4—Er1—Cu1—O2	78.76 (17)	O2—Er1—O11—N5	−74.7 (3)
O3—Er1—Cu1—N1	176.9 (2)	O6—Er1—O11—N5	125.1 (3)
O2—Er1—Cu1—N1	14.1 (2)	O8—Er1—O11—N5	−118.5 (3)
O6—Er1—Cu1—N1	−86.7 (3)	O5—Er1—O11—N5	70.5 (3)
O8—Er1—Cu1—N1	94.60 (16)	O9—Er1—O11—N5	171.0 (2)
O11—Er1—Cu1—N1	−49.44 (16)	O1—Er1—O11—N5	−142.5 (3)
O5—Er1—Cu1—N1	−123.54 (16)	O4—Er1—O11—N5	64.0 (3)
O9—Er1—Cu1—N1	92.47 (17)	O12—Er1—O11—N5	−2.1 (2)
O1—Er1—Cu1—N1	20.67 (16)	N3—Er1—O11—N5	97.8 (3)
O4—Er1—Cu1—N1	165.99 (16)	N4—Er1—O11—N5	−159.7 (2)
O12—Er1—Cu1—N1	−87.03 (17)	O3—Er1—O12—N5	165.4 (3)
N3—Er1—Cu1—N1	−113.55 (18)	O2—Er1—O12—N5	95.7 (3)
N4—Er1—Cu1—N1	92.91 (16)	O6—Er1—O12—N5	−49.9 (3)
O3—Er1—Cu1—N2	−19.0 (2)	O8—Er1—O12—N5	132.2 (3)
O2—Er1—Cu1—N2	178.3 (2)	O11—Er1—O12—N5	2.1 (2)
O6—Er1—Cu1—N2	77.5 (3)	O5—Er1—O12—N5	−85.7 (3)
O8—Er1—Cu1—N2	−101.25 (19)	O1—Er1—O12—N5	41.5 (3)
O11—Er1—Cu1—N2	114.71 (18)	O4—Er1—O12—N5	−142.0 (3)
O5—Er1—Cu1—N2	40.61 (19)	N3—Er1—O12—N5	−66.4 (3)
O9—Er1—Cu1—N2	−103.38 (19)	N4—Er1—O12—N5	129.8 (4)
O1—Er1—Cu1—N2	−175.18 (18)	O2—Cu1—N1—C8	−9.0 (4)
O4—Er1—Cu1—N2	−29.86 (18)	N2—Cu1—N1—C8	174.2 (4)
O12—Er1—Cu1—N2	77.12 (19)	Er1—Cu1—N1—C8	−18.1 (4)
N3—Er1—Cu1—N2	50.6 (2)	O2—Cu1—N1—C9	170.2 (3)
N4—Er1—Cu1—N2	−102.95 (18)	N2—Cu1—N1—C9	−6.6 (4)
O3—Er1—O1—C2	−26.6 (3)	Er1—Cu1—N1—C9	161.2 (3)
O2—Er1—O1—C2	−6.8 (3)	O3—Cu1—N2—C12	12.7 (4)
O6—Er1—O1—C2	154.7 (3)	O2—Cu1—N2—C12	30.9 (11)
O8—Er1—O1—C2	−84.0 (3)	N1—Cu1—N2—C12	−167.4 (4)
O11—Er1—O1—C2	81.5 (3)	Er1—Cu1—N2—C12	24.7 (5)
O5—Er1—O1—C2	125.4 (3)	O3—Cu1—N2—C11	−170.1 (4)
O9—Er1—O1—C2	−137.9 (3)	O2—Cu1—N2—C11	−151.9 (8)
O4—Er1—O1—C2	−124.6 (3)	N1—Cu1—N2—C11	9.8 (5)
O12—Er1—O1—C2	50.1 (3)	Er1—Cu1—N2—C11	−158.0 (4)
N3—Er1—O1—C2	141.0 (3)	Er1—O5—N3—O7	−176.2 (4)
N4—Er1—O1—C2	−110.3 (3)	Er1—O5—N3—O6	4.6 (4)
O3—Er1—O1—C1	170.8 (3)	Er1—O6—N3—O7	176.1 (4)
O2—Er1—O1—C1	−169.3 (4)	Er1—O6—N3—O5	−4.7 (4)
O6—Er1—O1—C1	−7.8 (3)	O3—Er1—N3—O5	16.1 (3)
O8—Er1—O1—C1	113.4 (4)	O2—Er1—N3—O5	−78.4 (3)
O11—Er1—O1—C1	−81.0 (3)	O6—Er1—N3—O5	175.0 (4)
O5—Er1—O1—C1	−37.2 (4)	O8—Er1—N3—O5	117.6 (3)
O9—Er1—O1—C1	59.6 (3)	O11—Er1—N3—O5	−93.2 (3)
O4—Er1—O1—C1	72.9 (4)	O9—Er1—N3—O5	139.0 (3)
O12—Er1—O1—C1	−112.4 (3)	O1—Er1—N3—O5	−152.4 (2)
N3—Er1—O1—C1	−21.6 (4)	O4—Er1—N3—O5	66.6 (2)
N4—Er1—O1—C1	87.1 (3)	O12—Er1—N3—O5	−43.5 (2)
O3—Cu1—O2—C7	−168.3 (4)	N4—Er1—N3—O5	131.0 (2)
N1—Cu1—O2—C7	11.2 (3)	O3—Er1—N3—O6	−159.0 (2)
N2—Cu1—O2—C7	173.1 (8)	O2—Er1—N3—O6	106.6 (3)
Er1—Cu1—O2—C7	−179.5 (4)	O8—Er1—N3—O6	−57.5 (3)
O3—Cu1—O2—Er1	11.21 (14)	O11—Er1—N3—O6	91.8 (3)
N1—Cu1—O2—Er1	−169.29 (15)	O5—Er1—N3—O6	−175.0 (4)
N2—Cu1—O2—Er1	−7.4 (10)	O9—Er1—N3—O6	−36.1 (3)
O3—Er1—O2—C7	169.3 (3)	O1—Er1—N3—O6	32.6 (3)
O6—Er1—O2—C7	−28.9 (4)	O4—Er1—N3—O6	−108.4 (3)
O8—Er1—O2—C7	89.2 (3)	O12—Er1—N3—O6	141.4 (3)
O11—Er1—O2—C7	−65.3 (3)	N4—Er1—N3—O6	−44.1 (3)
O5—Er1—O2—C7	−118.4 (3)	Er1—O8—N4—O10	175.4 (4)
O9—Er1—O2—C7	58.4 (3)	Er1—O8—N4—O9	−2.8 (4)
O1—Er1—O2—C7	6.6 (3)	Er1—O9—N4—O10	−175.4 (4)
O4—Er1—O2—C7	144.4 (3)	Er1—O9—N4—O8	2.8 (4)
O12—Er1—O2—C7	−116.5 (3)	O3—Er1—N4—O8	−28.9 (3)
N3—Er1—O2—C7	−79.4 (4)	O2—Er1—N4—O8	35.9 (3)
N4—Er1—O2—C7	73.7 (3)	O6—Er1—N4—O8	−176.3 (3)
O3—Er1—O2—Cu1	−10.23 (13)	O11—Er1—N4—O8	115.8 (3)
O6—Er1—O2—Cu1	151.55 (15)	O5—Er1—N4—O8	−133.6 (3)
O8—Er1—O2—Cu1	−90.32 (15)	O9—Er1—N4—O8	−177.0 (4)
O11—Er1—O2—Cu1	115.17 (15)	O1—Er1—N4—O8	98.8 (3)
O5—Er1—O2—Cu1	62.1 (2)	O4—Er1—N4—O8	−90.4 (3)
O9—Er1—O2—Cu1	−121.08 (14)	O12—Er1—N4—O8	3.9 (5)
O1—Er1—O2—Cu1	−172.93 (18)	N3—Er1—N4—O8	−158.5 (3)
O4—Er1—O2—Cu1	−35.2 (2)	O3—Er1—N4—O9	148.1 (2)
O12—Er1—O2—Cu1	63.97 (15)	O2—Er1—N4—O9	−147.1 (2)
N3—Er1—O2—Cu1	101.1 (2)	O6—Er1—N4—O9	0.7 (3)
N4—Er1—O2—Cu1	−105.78 (15)	O8—Er1—N4—O9	177.0 (4)
O2—Cu1—O3—C18	165.2 (4)	O11—Er1—N4—O9	−67.2 (3)
N2—Cu1—O3—C18	−18.1 (4)	O5—Er1—N4—O9	43.4 (3)
Er1—Cu1—O3—C18	176.4 (4)	O1—Er1—N4—O9	−84.2 (3)
O2—Cu1—O3—Er1	−11.24 (14)	O4—Er1—N4—O9	86.6 (3)
N2—Cu1—O3—Er1	165.51 (17)	O12—Er1—N4—O9	−179.1 (3)
O2—Er1—O3—C18	−166.4 (4)	N3—Er1—N4—O9	18.5 (3)
O6—Er1—O3—C18	31.3 (4)	Er1—O12—N5—O13	178.1 (4)
O8—Er1—O3—C18	−87.9 (3)	Er1—O12—N5—O11	−3.5 (4)
O11—Er1—O3—C18	129.8 (3)	Er1—O11—N5—O13	−177.9 (4)
O5—Er1—O3—C18	54.6 (3)	Er1—O11—N5—O12	3.7 (4)
O9—Er1—O3—C18	−59.9 (3)	C1—O1—C2—C3	−9.5 (6)
O1—Er1—O3—C18	−146.3 (3)	Er1—O1—C2—C3	−172.9 (3)
O4—Er1—O3—C18	−8.5 (3)	C1—O1—C2—C7	170.0 (4)
O12—Er1—O3—C18	115.5 (3)	Er1—O1—C2—C7	6.7 (4)
N3—Er1—O3—C18	47.6 (4)	O1—C2—C3—C4	−179.3 (4)
N4—Er1—O3—C18	−75.2 (3)	C7—C2—C3—C4	1.2 (6)
O2—Er1—O3—Cu1	10.24 (13)	C2—C3—C4—C5	−0.7 (7)
O6—Er1—O3—Cu1	−152.05 (16)	C3—C4—C5—C6	0.4 (7)
O8—Er1—O3—Cu1	88.81 (16)	C4—C5—C6—C7	−0.6 (7)
O11—Er1—O3—Cu1	−53.51 (19)	C4—C5—C6—C8	−175.5 (4)
O5—Er1—O3—Cu1	−128.70 (15)	Cu1—O2—C7—C6	−6.5 (6)
O9—Er1—O3—Cu1	116.75 (15)	Er1—O2—C7—C6	174.0 (3)
O1—Er1—O3—Cu1	30.3 (2)	Cu1—O2—C7—C2	173.7 (3)
O4—Er1—O3—Cu1	168.13 (19)	Er1—O2—C7—C2	−5.7 (5)
O12—Er1—O3—Cu1	−67.84 (16)	C5—C6—C7—O2	−178.7 (4)
N3—Er1—O3—Cu1	−135.74 (13)	C8—C6—C7—O2	−4.1 (6)
N4—Er1—O3—Cu1	101.46 (16)	C5—C6—C7—C2	1.0 (6)
O3—Er1—O4—C17	8.3 (3)	C8—C6—C7—C2	175.7 (4)
O2—Er1—O4—C17	33.0 (3)	O1—C2—C7—O2	−1.1 (5)
O6—Er1—O4—C17	−150.6 (3)	C3—C2—C7—O2	178.4 (4)
O8—Er1—O4—C17	87.8 (3)	O1—C2—C7—C6	179.1 (4)
O11—Er1—O4—C17	−93.7 (3)	C3—C2—C7—C6	−1.4 (6)
O5—Er1—O4—C17	−100.4 (3)	C9—N1—C8—C6	−176.5 (4)
O9—Er1—O4—C17	142.1 (3)	Cu1—N1—C8—C6	2.8 (6)
O1—Er1—O4—C17	129.0 (3)	C7—C6—C8—N1	6.0 (7)
O12—Er1—O4—C17	−45.8 (3)	C5—C6—C8—N1	−179.2 (4)
N3—Er1—O4—C17	−126.0 (3)	C8—N1—C9—C10	149.1 (4)
N4—Er1—O4—C17	114.8 (3)	Cu1—N1—C9—C10	−30.2 (6)
O3—Er1—O4—C19	176.5 (4)	N1—C9—C10—C11	74.7 (6)
O2—Er1—O4—C19	−158.7 (3)	C12—N2—C11—C10	−158.5 (5)
O6—Er1—O4—C19	17.6 (4)	Cu1—N2—C11—C10	24.0 (7)
O8—Er1—O4—C19	−104.0 (4)	C9—C10—C11—N2	−70.9 (6)
O11—Er1—O4—C19	74.5 (4)	C11—N2—C12—C13	178.9 (5)
O5—Er1—O4—C19	67.8 (4)	Cu1—N2—C12—C13	−3.7 (7)
O9—Er1—O4—C19	−49.7 (4)	N2—C12—C13—C18	−6.9 (8)
O1—Er1—O4—C19	−62.8 (4)	N2—C12—C13—C14	177.4 (5)
O12—Er1—O4—C19	122.4 (4)	C18—C13—C14—C15	1.4 (7)
N3—Er1—O4—C19	42.2 (4)	C12—C13—C14—C15	177.2 (5)
N4—Er1—O4—C19	−77.0 (4)	C13—C14—C15—C16	−0.8 (7)
O3—Er1—O5—N3	−166.4 (2)	C14—C15—C16—C17	−0.1 (7)
O2—Er1—O5—N3	133.5 (2)	C15—C16—C17—O4	−178.4 (4)
O6—Er1—O5—N3	−2.8 (2)	C15—C16—C17—C18	0.4 (7)
O8—Er1—O5—N3	−93.0 (3)	C19—O4—C17—C16	2.2 (6)
O11—Er1—O5—N3	78.2 (2)	Er1—O4—C17—C16	171.3 (3)
O9—Er1—O5—N3	−43.5 (3)	C19—O4—C17—C18	−176.8 (4)
O1—Er1—O5—N3	35.6 (3)	Er1—O4—C17—C18	−7.6 (4)
O4—Er1—O5—N3	−106.1 (3)	Cu1—O3—C18—C13	13.4 (6)
O12—Er1—O5—N3	131.5 (3)	Er1—O3—C18—C13	−170.7 (3)
N4—Er1—O5—N3	−62.0 (3)	Cu1—O3—C18—C17	−167.8 (3)
O3—Er1—O6—N3	32.7 (4)	Er1—O3—C18—C17	8.1 (5)
O2—Er1—O6—N3	−117.1 (3)	C14—C13—C18—O3	177.7 (4)
O8—Er1—O6—N3	138.3 (2)	C12—C13—C18—O3	2.1 (7)
O11—Er1—O6—N3	−79.4 (3)	C14—C13—C18—C17	−1.1 (6)
O5—Er1—O6—N3	2.8 (2)	C12—C13—C18—C17	−176.7 (4)
O9—Er1—O6—N3	140.4 (3)	C16—C17—C18—O3	−178.6 (4)
O1—Er1—O6—N3	−149.2 (3)	O4—C17—C18—O3	0.4 (5)
O4—Er1—O6—N3	68.4 (3)	C16—C17—C18—C13	0.2 (6)
O12—Er1—O6—N3	−40.0 (3)	O4—C17—C18—C13	179.2 (4)

Experimental details

Crystal data
Chemical formula	[CuEr(C₁₉H₂₀N₂O₄)(NO₃)₃]·C₃H₆O
M_r	815.28
Crystal system, space group	Triclinic, P1
Temperature (K)	295
a, b, c (Å)	9.4142 (19), 12.151 (2), 13.439 (3)
α, β, γ (°)	73.06 (3), 87.30 (3), 72.22 (3)
V (Å³)	1398.9 (6)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	3.82
Crystal size (mm)	0.34 × 0.28 × 0.20

Data collection
Diffractometer	Rigaku R-AXIS RAPID
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.280, 0.460
No. of measured, independent and observed [I > 2σ(I)] reflections	13866, 6335, 5654
R_int	0.035
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.031, 0.094, 1.12
No. of reflections	6335
No. of parameters	388
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.65, −0.99

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalStructure (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008), PLEASE SUPPLY.

Acknowledgements

The authors gratefully acknowledge financial support of this work by the National Natural Science Foundation of China (grant Nos. 30571784 and 30872450) and the Heilongjiang Key Laboratory of Anesthesia and Critical Care Research.

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Wang, J.-H., Gao, P., Yan, P.-F., Li, G.-M. & Hou, G.-F. (2008). Acta Cryst. E64, m344. Web of Science CSD CrossRef IUCr Journals Google Scholar
Xing, J.-C., Wang, J.-H., Yan, P.-F. & Li, G.-M. (2008). Acta Cryst. E64, m1206. Web of Science CSD CrossRef IUCr Journals Google Scholar

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