[μ-2,8-Dimethyl-5,11-bis(dimethyl­amino­ethyl)-1,4,5,6,7,10,11,12-octahydro­diimidazo[4,5-h;4,5-c][1,6]diazecine]bis[aqua­copper(II)] diacetate hexahydrate

In the title compound, [Cu₂(C₂H₃O₂)₂(C₂₀H₃₆N₈)(H₂O)₂](C₂H₃O₂)₂·6H₂O, the dinuclear cation has inversion symmetry and contains square-pyramidal Cu^II ions separated by 7.471 (1) Å. Symmetry-related cations are linked to a framework of rings of five water molecules, where each water molecule acts as both a single hydrogen-bond donor and acceptor, an arrangement very close to that believed to exist in liquid water.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.032
• wR factor = 0.093
• Data-to-parameter ratio = 20.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing ..          ?

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.69 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.23 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu1    -   O15     ..       6.08 su
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C20
PLAT354_ALERT_3_C Short   O-H Bond (0.82A)   O24    -   H241   ...       0.68 Ang.
PLAT354_ALERT_3_C Short   O-H Bond (0.82A)   O26    -   H261   ...       0.71 Ang.
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C13
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C19
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C21
PLAT480_ALERT_4_C Long H...A H-Bond Reported H152   ..  O16     ..       2.78 Ang.
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2
              C2 H3 O2
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3
              H2 O
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4
              H2 O
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5
              H2 O

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  16 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL-Plus (Sheldrick, 1998); program(s) used to refine structure: SHELXTL-Plus; molecular graphics: SHELXTL-Plus and Mercury (CCDC, 2004); software used to prepare material for publication: SHELXTL-Plus.

[µ-2,8-Dimethyl-5,11-bis(dimethylaminoethyl)-1,4,5,6,7,10,11,12- octahydrodiimidazo[4,5 - h;4,5 - c][1,6]diazecine]bis[aquacopper(II)] diacetate hexahydrate

Crystal data

[Cu2(C2H3O2)2(C20H36N8)(H2O)2](C2H3O2)2·6H2O	F(000) = 1896
Mr = 895.95	Dx = 1.416 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 75 reflections
a = 23.562 (3) Å	θ = 4.1–13.8°
b = 6.5271 (5) Å	µ = 1.09 mm^−1
c = 28.881 (4) Å	T = 296 K
β = 108.863 (10)°	Irregular lump, blue
V = 4203.1 (8) Å^3	0.50 × 0.48 × 0.40 mm
Z = 4

Data collection

Bruker P4 diffractometer	4720 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube, FN4	Rint = 0.026
Graphite monochromator	θmax = 29.0°, θmin = 1.8°
2θ/ω scans	h = −32→1
Absorption correction: ψ scan (XSCANS; Siemens, 1996)	k = −8→8
Tmin = 0.597, Tmax = 0.646	l = −37→39
11427 measured reflections	3 standard reflections every 97 reflections
5582 independent reflections	intensity decay: 1%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difmap (O-H) and geom (others)
R[F^2 > 2σ(F^2)] = 0.032	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.093	w = 1/[σ^2(Fo^2) + (0.0522P)^2 + 2.3286P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.003
5582 reflections	Δρmax = 0.42 e Å^−3
269 parameters	Δρmin = −0.40 e Å^−3
0 restraints	Extinction correction: SHELXTL-Plus (Sheldrick, 1998), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0045 (2)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Cu1	0.867648 (8)	0.21276 (3)	0.122730 (6)	0.02627 (8)
N1	0.83590 (6)	0.5662 (2)	−0.00324 (5)	0.0296 (3)
H1A	0.8436	0.6299	−0.0266	0.036*
C2	0.87673 (7)	0.5015 (3)	0.03858 (6)	0.0305 (3)
N3	0.84956 (6)	0.4116 (2)	0.06704 (5)	0.0278 (3)
C4	0.78868 (7)	0.4193 (2)	0.04169 (5)	0.0246 (3)
C5	0.77913 (7)	0.5127 (2)	−0.00241 (6)	0.0263 (3)
C6	0.74920 (7)	0.3194 (2)	0.06621 (6)	0.0256 (3)
H6A	0.7096	0.2951	0.0430	0.031*
H6B	0.7453	0.4048	0.0925	0.031*
N7	0.77908 (6)	0.1214 (2)	0.08590 (4)	0.0247 (3)
C8	0.75524 (8)	0.0276 (3)	0.12289 (6)	0.0335 (3)
H8A	0.7220	−0.0629	0.1069	0.040*
H8B	0.7410	0.1336	0.1399	0.040*
C9	0.80528 (9)	−0.0918 (3)	0.15866 (7)	0.0406 (4)
H9A	0.7920	−0.1428	0.1850	0.049*
H9B	0.8157	−0.2084	0.1422	0.049*
N10	0.85876 (7)	0.0411 (3)	0.17909 (5)	0.0358 (3)
C11	0.91174 (11)	−0.0893 (5)	0.20261 (10)	0.0665 (7)
H11A	0.9051	−0.1662	0.2287	0.100*
H11B	0.9465	−0.0043	0.2155	0.100*
H11C	0.9179	−0.1818	0.1788	0.100*
C12	0.84944 (11)	0.1843 (4)	0.21583 (8)	0.0571 (6)
H12A	0.8451	0.1077	0.2429	0.086*
H12B	0.8138	0.2636	0.2011	0.086*
H12C	0.8833	0.2743	0.2273	0.086*
C13	0.94247 (8)	0.5242 (3)	0.04911 (7)	0.0418 (4)
H13A	0.9632	0.4681	0.0808	0.063*
H13B	0.9523	0.6667	0.0486	0.063*
H13C	0.9544	0.4523	0.0247	0.063*
C14	0.72276 (7)	0.5260 (2)	−0.04508 (6)	0.0271 (3)
H14A	0.7185	0.6646	−0.0579	0.033*
H14B	0.6889	0.4985	−0.0339	0.033*
O15	0.92126 (7)	−0.0142 (2)	0.09740 (6)	0.0413 (3)
H151	0.9189 (13)	−0.010 (4)	0.0703 (11)	0.062*
H152	0.9578 (14)	0.039 (4)	0.1137 (10)	0.062*
O16	0.93534 (5)	0.3720 (2)	0.16520 (5)	0.0398 (3)
C17	0.99060 (8)	0.3602 (3)	0.16923 (6)	0.0366 (4)
O18	1.01440 (7)	0.2130 (2)	0.15518 (6)	0.0512 (4)
C19	1.02870 (9)	0.5418 (4)	0.19276 (10)	0.0573 (6)
H19A	1.0694	0.5182	0.1941	0.086*
H19B	1.0272	0.5600	0.2253	0.086*
H19C	1.0137	0.6626	0.1738	0.086*
C20	1.10527 (8)	0.0234 (3)	0.04221 (7)	0.0393 (4)
C21	1.07823 (19)	−0.1185 (5)	0.07090 (12)	0.0912 (12)
H21A	1.0605	−0.2343	0.0510	0.137*
H21B	1.0480	−0.0464	0.0801	0.137*
H21C	1.1091	−0.1647	0.0998	0.137*
O22	1.10294 (8)	−0.0273 (3)	0.00049 (6)	0.0587 (4)
O23	1.13040 (8)	0.1833 (2)	0.06343 (5)	0.0495 (4)
O24	1.13259 (7)	0.2679 (3)	0.15580 (6)	0.0479 (4)
H241	1.1301 (16)	0.256 (5)	0.1318 (12)	0.072*
H242	1.0965 (16)	0.248 (5)	0.1551 (12)	0.072*
O25	1.21858 (9)	−0.0448 (3)	0.19016 (8)	0.0661 (5)
H251	1.1933 (18)	0.037 (6)	0.1827 (14)	0.099*
H252	1.2425 (18)	−0.003 (6)	0.2164 (14)	0.099*
O26	1.19357 (10)	0.5739 (4)	0.22408 (7)	0.0716 (6)
H261	1.1774 (19)	0.510 (7)	0.2042 (15)	0.107*
H262	1.1959 (19)	0.678 (7)	0.2089 (15)	0.107*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.02392 (11)	0.02850 (12)	0.02496 (11)	−0.00028 (7)	0.00594 (7)	−0.00114 (7)
N1	0.0325 (7)	0.0276 (6)	0.0289 (6)	−0.0082 (5)	0.0100 (5)	0.0003 (5)
C2	0.0299 (7)	0.0277 (8)	0.0329 (8)	−0.0067 (6)	0.0087 (6)	−0.0024 (6)
N3	0.0266 (6)	0.0263 (6)	0.0287 (6)	−0.0045 (5)	0.0065 (5)	−0.0014 (5)
C4	0.0268 (7)	0.0196 (6)	0.0260 (7)	−0.0029 (5)	0.0064 (5)	−0.0040 (5)
C5	0.0296 (7)	0.0206 (7)	0.0281 (7)	−0.0043 (6)	0.0084 (6)	−0.0029 (5)
C6	0.0264 (7)	0.0232 (7)	0.0266 (7)	−0.0005 (5)	0.0080 (6)	−0.0024 (5)
N7	0.0262 (6)	0.0239 (6)	0.0239 (6)	−0.0031 (5)	0.0082 (5)	0.0001 (5)
C8	0.0326 (8)	0.0391 (9)	0.0302 (8)	−0.0083 (7)	0.0120 (7)	0.0033 (7)
C9	0.0469 (10)	0.0399 (9)	0.0341 (9)	−0.0020 (8)	0.0121 (8)	0.0094 (7)
N10	0.0330 (7)	0.0450 (9)	0.0279 (7)	0.0044 (6)	0.0076 (6)	0.0055 (6)
C11	0.0470 (12)	0.0806 (19)	0.0647 (15)	0.0202 (12)	0.0081 (11)	0.0369 (14)
C12	0.0545 (13)	0.0834 (18)	0.0373 (10)	−0.0145 (12)	0.0206 (10)	−0.0184 (10)
C13	0.0306 (8)	0.0472 (11)	0.0471 (10)	−0.0101 (8)	0.0118 (8)	0.0018 (8)
C14	0.0311 (7)	0.0208 (6)	0.0275 (7)	−0.0009 (6)	0.0069 (6)	−0.0020 (5)
O15	0.0412 (7)	0.0426 (7)	0.0416 (7)	0.0037 (6)	0.0155 (6)	−0.0074 (6)
O16	0.0268 (6)	0.0498 (8)	0.0390 (7)	−0.0036 (5)	0.0057 (5)	−0.0116 (6)
C17	0.0273 (8)	0.0434 (10)	0.0341 (8)	−0.0001 (7)	0.0028 (6)	−0.0042 (7)
O18	0.0334 (7)	0.0540 (9)	0.0641 (10)	0.0001 (6)	0.0126 (7)	−0.0163 (7)
C19	0.0335 (10)	0.0546 (13)	0.0758 (16)	−0.0054 (9)	0.0066 (10)	−0.0221 (12)
C20	0.0365 (9)	0.0457 (10)	0.0392 (9)	−0.0071 (8)	0.0171 (7)	−0.0012 (8)
C21	0.137 (3)	0.078 (2)	0.086 (2)	−0.066 (2)	0.074 (2)	−0.0263 (17)
O22	0.0698 (11)	0.0679 (11)	0.0423 (8)	−0.0090 (9)	0.0236 (8)	−0.0099 (7)
O23	0.0645 (10)	0.0496 (8)	0.0394 (7)	−0.0234 (7)	0.0236 (7)	−0.0029 (6)
O24	0.0389 (7)	0.0635 (10)	0.0416 (7)	−0.0031 (7)	0.0133 (6)	−0.0098 (7)
O25	0.0646 (11)	0.0511 (10)	0.0716 (12)	0.0120 (8)	0.0071 (9)	−0.0070 (9)
O26	0.0719 (12)	0.0731 (13)	0.0562 (11)	−0.0239 (10)	0.0019 (9)	0.0037 (9)

Geometric parameters (Å, º)

Cu1—O16	1.9657 (13)	C8—H8A	0.9700
Cu1—N3	2.0026 (14)	C8—H8B	0.9700
Cu1—N10	2.0417 (15)	C9—H9A	0.9700
Cu1—N7	2.0992 (13)	C9—H9B	0.9700
Cu1—O15	2.2186 (14)	C11—H11A	0.9600
N1—C2	1.346 (2)	C11—H11B	0.9600
N1—C5	1.390 (2)	C11—H11C	0.9600
C2—N3	1.330 (2)	C12—H12A	0.9600
C2—C13	1.486 (2)	C12—H12B	0.9600
N3—C4	1.385 (2)	C12—H12C	0.9600
C4—C5	1.364 (2)	C13—H13A	0.9600
C4—C6	1.489 (2)	C13—H13B	0.9600
C5—C14	1.494 (2)	C13—H13C	0.9600
C6—N7	1.493 (2)	C14—H14A	0.9700
N7—C8	1.4899 (19)	C14—H14B	0.9700
N7—C14^i	1.5113 (19)	O15—H151	0.77 (3)
C8—C9	1.509 (3)	O15—H152	0.91 (3)
C9—N10	1.486 (3)	C19—H19A	0.9600
N10—C11	1.482 (3)	C19—H19B	0.9600
N10—C12	1.483 (3)	C19—H19C	0.9600
C14—N7^i	1.5113 (19)	C21—H21A	0.9600
O16—C17	1.272 (2)	C21—H21B	0.9600
C17—O18	1.245 (2)	C21—H21C	0.9600
C17—C19	1.509 (3)	O24—H241	0.68 (3)
C20—O22	1.234 (2)	O24—H242	0.85 (3)
C20—O23	1.257 (2)	O25—H251	0.78 (4)
C20—C21	1.514 (3)	O25—H252	0.83 (4)
N1—H1A	0.8600	O26—H261	0.71 (4)
C6—H6A	0.9700	O26—H262	0.82 (4)
C6—H6B	0.9700
O16—Cu1—N3	94.44 (6)	H6A—C6—H6B	108.7
O16—Cu1—N10	93.69 (6)	N7—C8—H8A	110.1
N3—Cu1—N10	161.07 (6)	C9—C8—H8A	110.1
O16—Cu1—N7	159.97 (5)	N7—C8—H8B	110.1
N3—Cu1—N7	81.87 (5)	C9—C8—H8B	110.1
N10—Cu1—N7	84.64 (6)	H8A—C8—H8B	108.4
O16—Cu1—O15	97.20 (6)	N10—C9—H9A	109.6
N3—Cu1—O15	99.44 (6)	C8—C9—H9A	109.6
N10—Cu1—O15	96.46 (6)	N10—C9—H9B	109.6
N7—Cu1—O15	102.83 (5)	C8—C9—H9B	109.6
C2—N1—C5	108.58 (13)	H9A—C9—H9B	108.1
N3—C2—N1	110.22 (14)	N10—C11—H11A	109.5
N3—C2—C13	126.54 (16)	N10—C11—H11B	109.5
N1—C2—C13	123.21 (16)	H11A—C11—H11B	109.5
C2—N3—C4	106.31 (13)	N10—C11—H11C	109.5
C2—N3—Cu1	139.65 (12)	H11A—C11—H11C	109.5
C4—N3—Cu1	111.28 (10)	H11B—C11—H11C	109.5
C5—C4—N3	109.85 (13)	N10—C12—H12A	109.5
C5—C4—C6	134.44 (14)	N10—C12—H12B	109.5
N3—C4—C6	115.63 (13)	H12A—C12—H12B	109.5
C4—C5—N1	105.03 (13)	N10—C12—H12C	109.5
C4—C5—C14	129.08 (14)	H12A—C12—H12C	109.5
N1—C5—C14	125.12 (14)	H12B—C12—H12C	109.5
C4—C6—N7	105.66 (12)	C2—C13—H13A	109.5
C8—N7—C6	112.85 (12)	C2—C13—H13B	109.5
C8—N7—C14^i	112.04 (12)	H13A—C13—H13B	109.5
C6—N7—C14^i	111.25 (11)	C2—C13—H13C	109.5
C8—N7—Cu1	107.27 (9)	H13A—C13—H13C	109.5
C6—N7—Cu1	102.49 (9)	H13B—C13—H13C	109.5
C14^i—N7—Cu1	110.43 (9)	C5—C14—H14A	108.8
N7—C8—C9	108.12 (14)	N7^i—C14—H14A	108.8
N10—C9—C8	110.18 (15)	C5—C14—H14B	108.8
C11—N10—C12	109.36 (19)	N7^i—C14—H14B	108.8
C11—N10—C9	109.10 (18)	H14A—C14—H14B	107.7
C12—N10—C9	110.44 (16)	Cu1—O15—H151	117 (2)
C11—N10—Cu1	113.10 (13)	Cu1—O15—H152	96.9 (17)
C12—N10—Cu1	107.57 (14)	H151—O15—H152	105 (3)
C9—N10—Cu1	107.24 (11)	C17—C19—H19A	109.5
C5—C14—N7^i	113.59 (13)	C17—C19—H19B	109.5
C17—O16—Cu1	128.69 (13)	H19A—C19—H19B	109.5
O18—C17—O16	124.97 (18)	C17—C19—H19C	109.5
O18—C17—C19	119.19 (17)	H19A—C19—H19C	109.5
O16—C17—C19	115.84 (18)	H19B—C19—H19C	109.5
O22—C20—O23	124.35 (18)	C20—C21—H21A	109.5
O22—C20—C21	118.5 (2)	C20—C21—H21B	109.5
O23—C20—C21	117.15 (18)	H21A—C21—H21B	109.5
C2—N1—H1A	125.7	C20—C21—H21C	109.5
C5—N1—H1A	125.7	H21A—C21—H21C	109.5
C4—C6—H6A	110.6	H21B—C21—H21C	109.5
N7—C6—H6A	110.6	H241—O24—H242	102 (3)
C4—C6—H6B	110.6	H251—O25—H252	105 (4)
N7—C6—H6B	110.6	H261—O26—H262	99 (4)
C5—N1—C2—N3	−1.04 (19)	N3—Cu1—N7—C6	−35.39 (9)
C5—N1—C2—C13	177.03 (16)	N10—Cu1—N7—C6	131.29 (10)
N1—C2—N3—C4	0.35 (18)	O15—Cu1—N7—C6	−133.28 (9)
C13—C2—N3—C4	−177.64 (17)	O16—Cu1—N7—C14^i	163.81 (14)
N1—C2—N3—Cu1	158.56 (13)	N3—Cu1—N7—C14^i	83.21 (10)
C13—C2—N3—Cu1	−19.4 (3)	N10—Cu1—N7—C14^i	−110.11 (10)
O16—Cu1—N3—C2	55.88 (18)	O15—Cu1—N7—C14^i	−14.68 (10)
N10—Cu1—N3—C2	171.06 (18)	C6—N7—C8—C9	−149.50 (14)
N7—Cu1—N3—C2	−143.93 (18)	C14^i—N7—C8—C9	83.99 (16)
O15—Cu1—N3—C2	−42.19 (18)	Cu1—N7—C8—C9	−37.36 (16)
O16—Cu1—N3—C4	−146.60 (10)	N7—C8—C9—N10	53.50 (19)
N10—Cu1—N3—C4	−31.4 (2)	C8—C9—N10—C11	−164.23 (17)
N7—Cu1—N3—C4	13.59 (10)	C8—C9—N10—C12	75.5 (2)
O15—Cu1—N3—C4	115.34 (11)	C8—C9—N10—Cu1	−41.39 (17)
C2—N3—C4—C5	0.49 (17)	O16—Cu1—N10—C11	−64.10 (17)
Cu1—N3—C4—C5	−164.56 (10)	N3—Cu1—N10—C11	−179.40 (19)
C2—N3—C4—C6	177.83 (13)	N7—Cu1—N10—C11	135.92 (17)
Cu1—N3—C4—C6	12.78 (16)	O15—Cu1—N10—C11	33.58 (17)
N3—C4—C5—N1	−1.08 (17)	O16—Cu1—N10—C12	56.77 (13)
C6—C4—C5—N1	−177.73 (16)	N3—Cu1—N10—C12	−58.5 (2)
N3—C4—C5—C14	169.08 (15)	N7—Cu1—N10—C12	−103.20 (13)
C6—C4—C5—C14	−7.6 (3)	O15—Cu1—N10—C12	154.45 (13)
C2—N1—C5—C4	1.29 (17)	O16—Cu1—N10—C9	175.57 (12)
C2—N1—C5—C14	−169.39 (15)	N3—Cu1—N10—C9	60.3 (2)
C5—C4—C6—N7	133.00 (17)	N7—Cu1—N10—C9	15.60 (12)
N3—C4—C6—N7	−43.50 (16)	O15—Cu1—N10—C9	−86.75 (12)
C4—C6—N7—C8	164.32 (12)	C4—C5—C14—N7^i	−101.86 (18)
C4—C6—N7—C14^i	−68.75 (15)	N1—C5—C14—N7^i	66.51 (19)
C4—C6—N7—Cu1	49.27 (12)	N3—Cu1—O16—C17	−90.76 (18)
O16—Cu1—N7—C8	−73.83 (19)	N10—Cu1—O16—C17	106.35 (18)
N3—Cu1—N7—C8	−154.43 (11)	N7—Cu1—O16—C17	−169.17 (15)
N10—Cu1—N7—C8	12.25 (11)	O15—Cu1—O16—C17	9.35 (18)
O15—Cu1—N7—C8	107.68 (11)	Cu1—O16—C17—O18	−17.6 (3)
O16—Cu1—N7—C6	45.21 (19)	Cu1—O16—C17—C19	162.04 (16)

Symmetry code: (i) −x+3/2, −y+1/2, −z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O15—H152···O16	0.91 (3)	2.78 (3)	3.1430 (19)	105 (2)
O15—H152···O18	0.91 (3)	1.86 (3)	2.726 (2)	158 (3)
O24—H241···O23	0.68 (3)	2.03 (3)	2.708 (2)	171 (4)
N1—H1A···O23^ii	0.86	1.85	2.6866 (19)	165
O15—H151···O22^iii	0.77 (3)	1.95 (3)	2.711 (2)	168 (3)
O24—H242···O18	0.85 (3)	1.95 (3)	2.802 (2)	177 (3)
O25—H251···O24	0.78 (4)	2.05 (4)	2.820 (3)	172 (4)
O25—H252···O26^iv	0.83 (4)	1.95 (4)	2.776 (3)	173 (4)
O26—H261···O24	0.71 (4)	2.15 (4)	2.848 (3)	168 (5)
O26—H262···O25^v	0.82 (4)	2.01 (5)	2.806 (3)	164 (4)

Symmetry codes: (ii) −x+2, −y+1, −z; (iii) −x+2, −y, −z; (iv) −x+5/2, y−1/2, −z+1/2; (v) x, y+1, z.