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The construction of supra­molecular architectures based on inorganic–organic coordination frameworks with weak noncovalent inter­actions has implications for the rational design of functional materials. A new crystalline binuclear copper(II) one-dimensional polymeric chain, namely catena-poly[[[tetra­kis­(μ-4-aza­niumyl­butano­ato-κ2O:O′)dicopper(II)(CuCu)]-μ-chlorido-[di­aqua­dichlo­rido­copper(II)]-μ-chlorido] bis­(perchlorate)], {[Cu3Cl4(C4H9NO2)4(H2O)2](ClO4)2}n, was obtained by the reaction of 4-amino­butyric acid (GABA) with CuCl2·2H2O in aqueous solution. The structure was established by single-crystal X-ray diffraction and was also characterized by IR spectroscopy and magnetic measurements. The crystal structure consists of [{Cu2(GABA)4}{CuCl4(H2O)2}]+ cations and isolated perchlorate anions. Two symmetry-related CuII centres are bridged via carboxyl­ate O atoms into a classical paddle-wheel configuration, with a Cu...Cu distance of 2.643 (1) Å, while bridging Cl atoms complete the square-pyramidal geometry of the metal atoms. The Cl atoms connect the paddlewheel moieties to a second CuII atom lying on an octa­hedral site, resulting in infinite helical chains along the c axis. The packing motif exhibits channels containing free perchlorate anions. The crystal structure is stabilized by hydrogen bonds between the perchlorate anions, the coordinated water mol­ecules and the ammonium groups of the polymeric chains. The magnetic analysis of the title compound indicates a nontrivial anti­ferromagnetic behaviour arising from alternating weak–strong anti­ferromagnetic coupling between neighbouring CuII centres.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229617013766/yf3125sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229617013766/yf3125Isup2.hkl
Contains datablock I

CCDC reference: 1515175

Computing details top

Data collection: CrysAlis PRO (Oxford Diffraction, 2008); cell refinement: CrysAlis PRO (Oxford Diffraction, 2008); data reduction: CrysAlis PRO (Oxford Diffraction, 2008); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

catena-Poly[[[tetrakis(µ-4-azaniumylbutanoato-\ κ2O:O')dicopper(II)(CuCu)]-\ µ-chlorido-[diaquadichloridocopper(II)]-µ-chlorido] bis(perchlorate)] top
Crystal data top
[Cu3Cl4(C4H9NO2)4(H2O)2](ClO4)2F(000) = 994
Mr = 979.82Dx = 2.001 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 19042 reflections
a = 12.946 (3) Åθ = 2.6–27.7°
b = 12.568 (3) ŵ = 2.52 mm1
c = 11.044 (2) ÅT = 100 K
β = 115.18 (3)°Prism, green
V = 1626.2 (7) Å30.1 × 0.1 × 0.08 mm
Z = 2
Data collection top
Oxford Diffraction KappaCCD
diffractometer
19050 independent reflections
Radiation source: fine-focus sealed tube15048 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
ω scansθmax = 27.7°, θmin = 2.6°
Absorption correction: integration
(DeTitta, 1985)
h = 1616
Tmin = 0.720, Tmax = 0.853k = 1616
19050 measured reflectionsl = 1414
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044Hydrogen site location: difference Fourier map
wR(F2) = 0.109H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0667P)2]
where P = (Fo2 + 2Fc2)/3
19050 reflections(Δ/σ)max < 0.001
217 parametersΔρmax = 1.26 e Å3
3 restraintsΔρmin = 1.92 e Å3
Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.99887 (8)0.95931 (5)0.38914 (7)0.0087 (2)
Cu21.000001.000000.000000.0236 (4)
Cl20.80176 (13)0.99175 (15)0.11378 (19)0.0213 (5)
Cl30.98967 (15)0.86597 (11)0.19198 (15)0.0141 (4)
O11.1161 (4)0.8638 (4)0.5140 (5)0.0208 (17)
O1W0.9850 (5)1.1296 (3)0.1010 (5)0.0243 (16)
O20.8865 (5)1.0727 (4)0.2988 (5)0.0187 (17)
O30.8778 (4)0.8696 (4)0.3998 (5)0.0188 (17)
O41.1208 (5)1.0625 (4)0.4120 (5)0.0205 (17)
N11.2977 (5)0.5897 (5)0.9106 (6)0.0156 (19)
N20.7144 (5)0.5913 (5)0.6050 (5)0.0139 (19)
C11.1480 (6)0.8635 (6)0.6389 (7)0.010 (2)
C21.2308 (6)0.7758 (5)0.7141 (7)0.0139 (19)
C31.2774 (7)0.7837 (6)0.8644 (8)0.014 (2)
C41.3600 (6)0.6939 (5)0.9343 (8)0.013 (2)
C50.8440 (6)0.8730 (6)0.4908 (7)0.013 (2)
C60.7515 (6)0.7943 (5)0.4807 (7)0.012 (2)
C70.7261 (7)0.7881 (6)0.6029 (7)0.016 (2)
C80.6543 (6)0.6931 (5)0.6004 (8)0.014 (2)
Cl10.51942 (12)0.47535 (11)0.74998 (16)0.0153 (5)
O50.4947 (4)0.5097 (3)0.8587 (5)0.0218 (17)
O60.4636 (4)0.5401 (5)0.6359 (5)0.0306 (17)
O70.6421 (3)0.4820 (3)0.7932 (5)0.0189 (16)
O80.4841 (4)0.3669 (4)0.7191 (5)0.0277 (17)
H1WA0.987001.138700.192000.0300*
H1A1.267100.573900.821800.0190*
H1B1.240900.594600.938200.0190*
H1C1.347300.537500.957500.0190*
H1WB0.982101.203400.068700.0300*
H2A0.699600.570600.520300.0170*
H2B0.689400.540400.644800.0170*
H2C0.790900.600600.652800.0170*
H2D1.191800.706400.685500.0160*
H2E1.295500.777100.688800.0160*
H3A1.213200.781800.890700.0170*
H3B1.317000.852800.894000.0170*
H4A1.419100.690000.899900.0160*
H4B1.398500.708501.031500.0160*
H6A0.774300.722600.463700.0140*
H6B0.680200.813600.402200.0140*
H7A0.799000.784800.684400.0190*
H7B0.685800.853700.608000.0190*
H8A0.635000.696600.678000.0160*
H8B0.582100.695100.517900.0160*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0090 (3)0.0082 (3)0.0092 (5)0.0004 (4)0.0041 (5)0.0003 (3)
Cu20.0205 (5)0.0270 (6)0.0234 (8)0.0014 (7)0.0095 (8)0.0013 (5)
Cl20.0209 (7)0.0233 (8)0.0184 (10)0.0014 (8)0.0072 (8)0.0037 (7)
Cl30.0136 (7)0.0187 (7)0.0110 (8)0.0012 (7)0.0062 (8)0.0022 (5)
O10.025 (3)0.027 (3)0.009 (3)0.015 (3)0.006 (2)0.004 (2)
O1W0.036 (3)0.021 (2)0.020 (3)0.002 (2)0.016 (3)0.0000 (19)
O20.027 (3)0.016 (3)0.010 (3)0.009 (2)0.005 (2)0.001 (2)
O30.019 (3)0.026 (3)0.016 (3)0.013 (2)0.012 (2)0.010 (2)
O40.027 (3)0.019 (3)0.023 (3)0.011 (2)0.018 (2)0.010 (2)
N10.020 (3)0.009 (4)0.016 (3)0.001 (2)0.006 (3)0.000 (2)
N20.013 (3)0.018 (4)0.009 (3)0.000 (2)0.003 (2)0.005 (2)
C10.007 (3)0.008 (4)0.017 (4)0.001 (3)0.006 (3)0.003 (3)
C20.017 (3)0.010 (3)0.014 (4)0.002 (3)0.006 (3)0.000 (3)
C30.019 (4)0.010 (4)0.012 (4)0.002 (3)0.005 (3)0.002 (3)
C40.013 (3)0.012 (4)0.016 (4)0.002 (3)0.007 (3)0.001 (3)
C50.010 (3)0.013 (4)0.016 (4)0.007 (3)0.005 (3)0.006 (3)
C60.014 (3)0.009 (4)0.012 (4)0.002 (2)0.005 (3)0.001 (3)
C70.017 (4)0.016 (4)0.020 (4)0.002 (3)0.013 (3)0.001 (3)
C80.014 (3)0.011 (4)0.018 (4)0.002 (3)0.009 (3)0.001 (3)
Cl10.0135 (7)0.0211 (9)0.0096 (8)0.0012 (6)0.0033 (7)0.0001 (7)
O50.016 (3)0.031 (3)0.019 (3)0.0065 (19)0.008 (2)0.004 (2)
O60.025 (3)0.045 (3)0.015 (3)0.001 (2)0.002 (2)0.020 (3)
O70.013 (2)0.021 (3)0.024 (3)0.0007 (19)0.009 (2)0.000 (2)
O80.031 (3)0.021 (3)0.031 (3)0.010 (2)0.013 (3)0.008 (2)
Geometric parameters (Å, º) top
Cu1—Cl32.4312 (18)N1—H1C0.9100
Cu1—O11.966 (5)N1—H1A0.9100
Cu1—O21.977 (6)N2—H2C0.9100
Cu1—O31.975 (6)N2—H2A0.9100
Cu1—O41.974 (6)N2—H2B0.9100
Cu2—Cl22.331 (2)C1—C21.515 (10)
Cu2—Cl32.7554 (17)C2—C31.509 (11)
Cu2—O1W2.030 (5)C3—C41.520 (11)
Cu2—Cl2i2.331 (2)C5—C61.520 (11)
Cu2—Cl3i2.7554 (17)C6—C71.521 (11)
Cu2—O1Wi2.030 (5)C7—C81.506 (11)
Cl1—O71.453 (5)C2—H2E0.9900
Cl1—O51.434 (5)C2—H2D0.9900
Cl1—O61.413 (6)C3—H3B0.9900
Cl1—O81.432 (5)C3—H3A0.9900
O1—C11.260 (9)C4—H4A0.9900
O2—C1ii1.256 (10)C4—H4B0.9900
O3—C51.256 (9)C6—H6A0.9900
O4—C5ii1.265 (9)C6—H6B0.9900
O1W—H1WB0.9900C7—H7B0.9900
O1W—H1WA1.0000C7—H7A0.9900
N1—C41.502 (9)C8—H8A0.9900
N2—C81.487 (9)C8—H8B0.9900
N1—H1B0.9100
Cu1···O1W3.775 (5)O8···H2Ax2.8100
Cu1···N2iii3.739 (6)O8···H2Exiii2.8200
Cu1···O3ii3.072 (5)O8···H4Bvii2.6900
Cu1···O1ii3.108 (5)O8···H8Bx2.5100
Cu1···O2ii3.145 (5)N1···Cl2iv3.214 (6)
Cu1···O4ii3.193 (6)N1···O5vii3.074 (8)
Cu1···N1iii3.824 (7)N1···O7vii3.155 (8)
Cu1···H1WBiv3.2400N1···Cu1xii3.824 (7)
Cu1···H1WA3.0900N1···O1xii3.075 (9)
Cu1···H1Biii3.0200N1···O5xv3.015 (9)
Cu1···H2Ciii2.9400N1···O4xii2.989 (9)
Cu2···H2Dv3.5700N2···O72.956 (8)
Cu2···H2Diii3.5700N2···O6x3.146 (8)
Cl2···Cl33.582 (3)N2···Cu1xii3.739 (6)
Cl2···O1W3.077 (5)N2···Cl2xii3.245 (6)
Cl2···O6vi3.394 (6)N2···Cl3xii3.316 (7)
Cl2···N1v3.214 (6)N2···O2xii3.120 (8)
Cl2···O1Wi3.104 (7)N2···O3xii3.075 (7)
Cl2···N2iii3.245 (6)N1···H2D2.7000
Cl2···Cl3i3.636 (3)N2···H6A2.6100
Cl3···O1Wi3.389 (6)C1···O7xvi2.904 (9)
Cl3···N2iii3.316 (7)C1···C53.564 (12)
Cl3···O43.373 (5)C2···Cl3xii3.511 (8)
Cl3···O1W3.455 (4)C2···O7xvi3.089 (8)
Cl3···Cl23.582 (3)C4···O5xv3.215 (9)
Cl3···O13.221 (5)C4···O5vii3.414 (8)
Cl3···C6iii3.590 (8)C5···C13.564 (12)
Cl3···O23.357 (6)C5···O7iii3.172 (9)
Cl3···O33.193 (6)C6···Cl3xii3.590 (8)
Cl3···Cl2i3.636 (3)C8···O8x3.294 (9)
Cl3···C2iii3.511 (8)C8···O63.282 (10)
Cl1···H1Cvii2.9500C1···H1WAii3.0500
Cl1···H2B3.0100C1···H1WBiv2.9800
Cl2···H6Aiii2.8900C1···H1Biii2.9800
Cl2···H2Aiii2.4900C2···H1A2.7600
Cl2···H1Av2.3200C4···H8Bxvii2.9700
Cl2···H2Dv2.8200C6···H2C3.0000
Cl3···H1WAiv3.0900C6···H2A2.9700
Cl3···H6Aiii3.0600C6···H8Aiii3.0300
Cl3···H7Aiii3.0800H1WA···C1ii3.0500
Cl3···H2Ciii2.4600H1WA···O42.5000
Cl3···H2Diii2.8000H1WA···Cl3v3.0900
O1···Cl33.221 (5)H1WA···Cu13.0900
O1···N1iii3.075 (9)H1WA···O22.2500
O1···O32.793 (8)H1WA···H3Aii2.5600
O1···O42.751 (7)H1A···Cl2iv2.3200
O1···C5ii3.352 (9)H1A···O5xv2.9100
O1···Cu1ii3.108 (5)H1A···C22.7600
O1W···Cl2i3.104 (7)H1A···H2D2.1800
O1W···Cl23.077 (5)H1B···O7vii2.8600
O1W···O43.234 (7)H1B···Cu1xii3.0200
O1W···Cl3i3.389 (6)H1B···H3A2.4000
O1W···Cu13.775 (5)H1B···O1xii2.1800
O1W···O23.046 (9)H1B···O4xii2.4500
O1W···Cl33.455 (4)H1B···C1xii2.9800
O2···O1W3.046 (9)H1C···H7Bxiii2.4000
O2···C5ii3.338 (10)H1C···Cl1vii2.9500
O2···O32.807 (7)H1C···O5vii2.2600
O2···Cu1ii3.145 (5)H1C···O5xv2.5900
O2···N2iii3.120 (8)H1C···O7vii2.7100
O2···Cl33.357 (6)H1WB···C1v2.9800
O2···O42.748 (9)H1WB···O1v2.3500
O2···O7iii3.213 (8)H1WB···O3v2.6900
O3···O12.793 (8)H1WB···Cu1v3.2400
O3···C13.370 (9)H2A···C62.9700
O3···N2iii3.075 (7)H2A···H6A2.3400
O3···Cl33.193 (6)H2A···O6x2.5000
O3···Cu1ii3.072 (5)H2A···O8x2.8100
O3···O22.807 (7)H2A···Cl2xii2.4900
O3···C1ii3.380 (9)H2B···O72.1100
O4···C1ii3.410 (11)H2B···O2xii2.7800
O4···Cu1ii3.193 (6)H2B···O62.8800
O4···O22.748 (9)H2B···H3Bxiii2.3900
O4···O1W3.234 (7)H2B···Cl13.0100
O4···N1iii2.989 (9)H2C···C63.0000
O4···Cl33.373 (5)H2C···Cl3xii2.4600
O4···O12.751 (7)H2C···O2xii2.6800
O5···O5viii3.075 (7)H2C···O3xii2.5000
O5···N1vii3.074 (8)H2C···H7A2.3400
O5···N1ix3.015 (9)H2C···Cu1xii2.9400
O5···C4ix3.215 (9)H2C···H6A2.5300
O5···C4vii3.414 (8)H2D···N12.7000
O6···N2x3.146 (8)H2D···H1A2.1800
O6···C83.282 (10)H2D···Cl3xii2.8000
O6···Cl2xi3.394 (6)H2D···Cu2iv3.5700
O7···O2xii3.213 (8)H2D···Cl2iv2.8200
O7···C5xii3.172 (9)H2D···Cu2xii3.5700
O7···N22.956 (8)H2E···H4A2.4500
O7···C2xiii3.089 (8)H2E···O7xvi2.6800
O7···N1vii3.155 (8)H2E···O8xvi2.8200
O7···C1xiii2.904 (9)H3A···O1xii2.8700
O8···C8x3.294 (9)H3A···H1WAii2.5600
O1···H1Biii2.1800H3A···O2ii2.6600
O1···H3Aiii2.8700H3A···H1B2.4000
O1···H1WBiv2.3500H3A···O1Wii2.8300
O1W···H3Aii2.8300H3B···H2Bxvi2.3900
O2···H3Bii2.7500H3B···O2ii2.7500
O2···H1WA2.2500H3B···O6xvii2.8700
O2···H2Biii2.7800H3B···O7xvi2.8500
O2···H3Aii2.6600H4A···O5xv2.5800
O2···H2Ciii2.6800H4A···H2E2.4500
O3···H1WBiv2.6900H4A···H8Bxvii2.4300
O3···H7Aiii2.9000H4B···O8vii2.6900
O3···H2Ciii2.5000H6A···H2A2.3400
O4···H7Bii2.8100H6A···H2C2.5300
O4···H7Aii2.6100H6A···Cl2xii2.8900
O4···H1Biii2.4500H6A···N22.6100
O4···H1WA2.5000H6A···Cl3xii3.0600
O5···H1Cvii2.2600H6B···H8Aiii2.2900
O5···H1Cix2.5900H6B···O7iii2.7900
O5···H1Aix2.9100H7A···O4ii2.6100
O5···H4Aix2.5800H7A···Cl3xii3.0800
O6···H3Bxiv2.8700H7A···O3xii2.9000
O6···H2B2.8800H7A···H2C2.3400
O6···H2Ax2.5000H7B···H1Cxvi2.4000
O6···H8A2.8500H7B···O4ii2.8100
O7···H2Exiii2.6800H8A···O62.8500
O7···H2B2.1100H8A···C6xii3.0300
O7···H6Bxii2.7900H8A···H6Bxii2.2900
O7···H1Bvii2.8600H8B···C4xiv2.9700
O7···H3Bxiii2.8500H8B···H4Axiv2.4300
O7···H1Cvii2.7100H8B···O8x2.5100
Cl3—Cu1—O193.59 (16)C8—N2—H2A109.00
Cl3—Cu1—O298.67 (16)C8—N2—H2B109.00
Cl3—Cu1—O392.31 (16)C8—N2—H2C109.00
Cl3—Cu1—O499.40 (17)H2B—N2—H2C109.00
O1—Cu1—O2167.7 (2)O2ii—C1—C2119.9 (6)
O1—Cu1—O390.3 (2)O1—C1—C2115.3 (7)
O1—Cu1—O488.6 (2)O1—C1—O2ii124.8 (7)
O2—Cu1—O390.5 (2)C1—C2—C3114.4 (6)
O2—Cu1—O488.2 (2)C2—C3—C4112.1 (7)
O3—Cu1—O4168.3 (2)N1—C4—C3110.5 (7)
Cl2—Cu2—Cl389.13 (7)O3—C5—O4ii125.3 (7)
Cl2—Cu2—O1W89.49 (19)O3—C5—C6116.8 (6)
Cl2—Cu2—Cl2i180.00O4ii—C5—C6117.9 (7)
Cl2—Cu2—Cl3i90.87 (7)C5—C6—C7115.4 (6)
Cl2—Cu2—O1Wi90.51 (19)C6—C7—C8112.9 (6)
Cl3—Cu2—O1W91.17 (15)N2—C8—C7111.8 (7)
Cl2i—Cu2—Cl390.87 (7)C1—C2—H2D109.00
Cl3—Cu2—Cl3i180.00C1—C2—H2E109.00
Cl3—Cu2—O1Wi88.83 (15)H2D—C2—H2E108.00
Cl2i—Cu2—O1W90.51 (19)C3—C2—H2E109.00
Cl3i—Cu2—O1W88.83 (15)C3—C2—H2D109.00
O1W—Cu2—O1Wi180.00C4—C3—H3A109.00
Cl2i—Cu2—Cl3i89.13 (7)C2—C3—H3B109.00
Cl2i—Cu2—O1Wi89.49 (19)C2—C3—H3A109.00
Cl3i—Cu2—O1Wi91.17 (15)C4—C3—H3B109.00
Cu1—Cl3—Cu2113.22 (6)H3A—C3—H3B108.00
O5—Cl1—O8108.9 (3)H4A—C4—H4B108.00
O6—Cl1—O7109.4 (3)N1—C4—H4A110.00
O6—Cl1—O8110.2 (3)N1—C4—H4B110.00
O7—Cl1—O8109.1 (3)C3—C4—H4A109.00
O5—Cl1—O6111.2 (3)C3—C4—H4B110.00
O5—Cl1—O7108.0 (3)C5—C6—H6B108.00
Cu1—O1—C1124.4 (5)C7—C6—H6A108.00
Cu1—O2—C1ii122.7 (5)C5—C6—H6A108.00
Cu1—O3—C5125.7 (5)H6A—C6—H6B107.00
Cu1—O4—C5ii120.6 (6)C7—C6—H6B108.00
H1WA—O1W—H1WB104.00C8—C7—H7A109.00
Cu2—O1W—H1WB124.00C6—C7—H7B109.00
Cu2—O1W—H1WA133.00C6—C7—H7A109.00
H1A—N1—H1B109.00C8—C7—H7B109.00
C4—N1—H1A109.00H7A—C7—H7B108.00
C4—N1—H1C109.00H8A—C8—H8B108.00
H1B—N1—H1C109.00N2—C8—H8A109.00
H1A—N1—H1C110.00N2—C8—H8B109.00
C4—N1—H1B109.00C7—C8—H8A109.00
H2A—N2—H2C110.00C7—C8—H8B109.00
H2A—N2—H2B109.00
O1—Cu1—Cl3—Cu2131.91 (18)Cl2i—Cu2—Cl3—Cu181.65 (9)
O2—Cu1—Cl3—Cu246.8 (2)O1Wi—Cu2—Cl3—Cu1171.1 (2)
O3—Cu1—Cl3—Cu2137.66 (17)Cu1—O1—C1—C2174.1 (5)
O4—Cu1—Cl3—Cu242.78 (18)Cu1—O1—C1—O2ii3.6 (11)
Cl3—Cu1—O1—C1170.4 (6)Cu1—O2—C1ii—O1ii0.0 (12)
O3—Cu1—O1—C178.0 (6)Cu1—O2—C1ii—C2ii177.6 (5)
O4—Cu1—O1—C190.3 (6)Cu1—O3—C5—C6178.5 (5)
Cl3—Cu1—O2—C1ii172.2 (6)Cu1—O3—C5—O4ii2.9 (11)
O3—Cu1—O2—C1ii79.8 (6)Cu1—O4—C5ii—O3ii2.5 (11)
O4—Cu1—O2—C1ii88.6 (6)Cu1—O4—C5ii—C6ii178.9 (5)
Cl3—Cu1—O3—C5175.4 (6)O1—C1—C2—C3173.9 (7)
O1—Cu1—O3—C581.8 (6)O2ii—C1—C2—C38.3 (11)
O2—Cu1—O3—C585.9 (6)C1—C2—C3—C4179.9 (7)
Cl3—Cu1—O4—C5ii177.9 (5)C2—C3—C4—N168.8 (9)
O1—Cu1—O4—C5ii84.5 (6)O3—C5—C6—C7170.5 (7)
O2—Cu1—O4—C5ii83.7 (6)O4ii—C5—C6—C710.7 (10)
Cl2—Cu2—Cl3—Cu198.35 (9)C5—C6—C7—C8167.0 (7)
O1W—Cu2—Cl3—Cu18.9 (2)C6—C7—C8—N263.8 (8)
Symmetry codes: (i) x+2, y+2, z; (ii) x+2, y+2, z+1; (iii) x, y+3/2, z1/2; (iv) x+2, y1/2, z+1/2; (v) x+2, y+1/2, z+1/2; (vi) x+1, y+1/2, z+1/2; (vii) x+2, y+1, z+2; (viii) x+1, y+1, z+2; (ix) x1, y, z; (x) x+1, y+1, z+1; (xi) x+1, y1/2, z+1/2; (xii) x, y+3/2, z+1/2; (xiii) x+2, y1/2, z+3/2; (xiv) x1, y+3/2, z1/2; (xv) x+1, y, z; (xvi) x+2, y+1/2, z+3/2; (xvii) x+1, y+3/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1WA···O21.00002.25003.046 (9)135.00
O1W—H1WA···O41.00002.50003.234 (7)130.00
N1—H1A···Cl2iv0.91002.32003.214 (6)166.00
N1—H1B···O1xii0.91002.18003.075 (9)169.00
N1—H1B···O4xii0.91002.45002.989 (9)118.00
N1—H1C···O5xv0.91002.59003.015 (9)109.00
N1—H1C···O5vii0.91002.26003.074 (8)148.00
O1W—H1WB···O1v0.99002.35003.252 (7)151.00
N2—H2A···O6x0.91002.50003.146 (8)128.00
N2—H2A···Cl2xii0.91002.49003.245 (6)140.00
N2—H2B···O70.91002.11002.956 (8)154.00
N2—H2C···Cl3xii0.91002.46003.316 (7)157.00
N2—H2C···O3xii0.91002.50003.075 (7)122.00
C2—H2D···Cl2iv0.99002.82003.708 (7)149.00
C2—H2D···Cl3xii0.99002.80003.511 (8)129.00
C4—H4A···O5xv0.99002.58003.215 (9)122.00
C6—H6A···N20.99002.61003.031 (9)106.00
C8—H8B···O8x0.99002.51003.294 (9)136.00
Symmetry codes: (iv) x+2, y1/2, z+1/2; (v) x+2, y+1/2, z+1/2; (vii) x+2, y+1, z+2; (x) x+1, y+1, z+1; (xii) x, y+3/2, z+1/2; (xv) x+1, y, z.
 

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