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In the complex, bis­[μ-N,N′-bis­(pyridin-2-yl­methyl)­pyrazine-2,3-dicarbox­amide]­bis­[sulfatocopper(II)] hexahydrate, [Cu2(C18H16N6O2)2(SO4)2]·6H2O, the pyrazine ligand coord­inates in a tridentate–monodentate manner with the Cu atoms having N3O2 chromophores. A neutral centrosymmetric binuclear macrocyclic structure is formed, with the Cu atoms having almost perfect square-pyramidal geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804000522/bt6391sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804000522/bt6391Isup2.hkl
Contains datablock I

CCDC reference: 234800

Key indicators

  • Single-crystal X-ray study
  • T = 153 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.029
  • wR factor = 0.060
  • Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.93
Author Response: ...With the Stoe Image Plate diffraction System Mark I it is only possible to access a maximum of ca. 93% of the Ewald sphere in the triclinic system, if maximum atomic resolution, 0.81 \%A, is to be obtained. Here Theta max. was 25.90\%. The result of this is that the reported bond distances and angles will not be as precise as they should be if 100% of the data had been measured. However, the overall structure, which is important here, is correct.

Alert level C CELLV02_ALERT_1_C The supplied cell volume s.u. differs from that calculated from the cell parameter s.u.'s by > 2 Calculated cell volume su = 19.74 Cell volume su given = 17.00 REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.90 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 3966 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 4267 Completeness (_total/calc) 92.95% PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.93 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.90 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.71 Ratio
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: EXPOSE (Stoe & Cie, 2000); cell refinement: CELL (Stoe & Cie, 2000); data reduction: INTEGRATE (Stoe & Cie, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

(I) top
Crystal data top
[Cu2(C18H16N6O2)2(SO4)2]·6H2OZ = 1
Mr = 1124.03F(000) = 578
Triclinic, P1Dx = 1.700 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.9507 (8) ÅCell parameters from 5864 reflections
b = 10.0094 (9) Åθ = 2.3–25.9°
c = 13.9732 (12) ŵ = 1.16 mm1
α = 90.953 (10)°T = 153 K
β = 100.442 (10)°Block, blue_green
γ = 116.190 (9)°0.20 × 0.20 × 0.08 mm
V = 1098.10 (17) Å3
Data collection top
Stoe Image Plate Diffraction System
diffractometer
3966 independent reflections
Radiation source: fine-focus sealed tube2687 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
Detector resolution: 0.81 pixels mm-1θmax = 25.9°, θmin = 2.3°
φ oscillation scansh = 1010
Absorption correction: empirical (using intensity measurements)
refined from ΔF (DELABS in PLATON; Spek, 2003)
k = 1212
Tmin = 0.718, Tmax = 0.920l = 1716
8639 measured reflections
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)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.060H atoms treated by a mixture of independent and constrained refinement
S = 0.99 w = [exp{2(sinθ/λ)2}]/[σ2(Fo2) + (0.0241P)2]
where P = (Fo2 + 2Fc2)/3
3966 reflections(Δ/σ)max < 0.001
340 parametersΔρmax = 0.35 e Å3
1 restraintΔρmin = 0.35 e Å3
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
xyzUiso*/Ueq
Cu10.42527 (5)0.21574 (4)0.36624 (2)0.01374 (10)
S10.14055 (9)0.02249 (8)0.21680 (4)0.01411 (16)
O10.5231 (3)0.3292 (2)0.65703 (12)0.0191 (4)
O20.4185 (3)0.5739 (2)0.70690 (12)0.0171 (4)
O110.2735 (3)0.1385 (2)0.23859 (12)0.0178 (4)
O120.1102 (3)0.0827 (2)0.31034 (12)0.0194 (4)
O130.2070 (3)0.1056 (2)0.16365 (13)0.0239 (5)
O140.0143 (3)0.0289 (2)0.15671 (13)0.0241 (5)
N10.1277 (3)0.4319 (3)0.51528 (15)0.0156 (5)
N20.2880 (3)0.3077 (2)0.41816 (14)0.0131 (5)
N30.5302 (3)0.2497 (3)0.50217 (14)0.0144 (5)
N40.5889 (3)0.1316 (3)0.35846 (15)0.0159 (5)
N50.1980 (3)0.3583 (3)0.72759 (14)0.0160 (5)
H5N0.11680.27060.69950.019*
N60.3129 (3)0.3316 (3)0.99017 (15)0.0231 (6)
H6N0.24150.35831.01040.028*
C10.2510 (3)0.4012 (3)0.56459 (17)0.0122 (6)
C20.3326 (3)0.3389 (3)0.51674 (17)0.0116 (5)
C30.1689 (4)0.3399 (3)0.36865 (17)0.0152 (6)
H30.13810.32060.29930.018*
C40.0889 (4)0.4022 (3)0.41872 (18)0.0171 (6)
H40.00350.42410.38220.020*
C50.4748 (4)0.3044 (3)0.56645 (17)0.0124 (6)
C60.6617 (4)0.2017 (3)0.53427 (17)0.0143 (6)
H6A0.62660.12760.58200.017*
H6B0.76990.28860.56610.017*
C70.6848 (4)0.1324 (3)0.44483 (17)0.0139 (6)
C80.8013 (4)0.0742 (3)0.45071 (19)0.0184 (6)
H80.86300.06960.51250.022*
C90.8255 (4)0.0234 (3)0.3651 (2)0.0224 (7)
H90.90650.01430.36730.027*
C100.7310 (4)0.0276 (3)0.2760 (2)0.0224 (7)
H100.74800.00500.21650.027*
C110.6121 (4)0.0798 (3)0.27539 (18)0.0201 (6)
H110.54420.07930.21450.024*
C120.2989 (4)0.4509 (3)0.67396 (17)0.0117 (6)
C130.2178 (4)0.3978 (3)0.83183 (17)0.0196 (7)
H13A0.10410.35390.84860.023*
H13B0.26750.50800.84510.023*
C140.3294 (4)0.3440 (3)0.89638 (18)0.0179 (6)
C150.4462 (4)0.3070 (3)0.86556 (19)0.0217 (7)
H150.46320.31830.80040.026*
C160.5387 (4)0.2532 (4)0.9305 (2)0.0282 (7)
H160.61830.22670.90970.034*
C170.5146 (5)0.2385 (4)1.0253 (2)0.0315 (8)
H170.57550.20021.06990.038*
C180.4011 (5)0.2801 (4)1.0540 (2)0.0305 (8)
H180.38480.27241.11930.037*
O1W0.1711 (3)0.6140 (3)0.21957 (17)0.0302 (5)
H190.263 (6)0.637 (4)0.261 (3)0.046 (11)*
H200.184 (6)0.695 (6)0.201 (3)0.077 (17)*
O2W0.1049 (4)0.4056 (4)0.0646 (2)0.0532 (8)
H210.123 (6)0.479 (6)0.110 (3)0.076 (15)*
H220.009 (4)0.326 (4)0.067 (4)0.10 (2)*
O3W0.8374 (3)0.1282 (3)0.04265 (18)0.0332 (6)
H230.827 (5)0.114 (4)0.018 (3)0.042 (11)*
H240.885 (5)0.082 (5)0.071 (3)0.052 (13)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0141 (2)0.0154 (2)0.01247 (16)0.00731 (18)0.00301 (13)0.00107 (13)
S10.0129 (4)0.0141 (4)0.0132 (3)0.0046 (4)0.0017 (3)0.0000 (3)
O10.0202 (12)0.0283 (12)0.0127 (9)0.0154 (11)0.0012 (8)0.0000 (8)
O20.0177 (13)0.0129 (11)0.0151 (9)0.0020 (11)0.0036 (8)0.0010 (8)
O110.0192 (12)0.0143 (11)0.0142 (8)0.0032 (11)0.0020 (8)0.0004 (7)
O120.0181 (12)0.0208 (12)0.0172 (9)0.0062 (11)0.0055 (8)0.0047 (8)
O130.0280 (14)0.0233 (12)0.0246 (10)0.0150 (12)0.0069 (9)0.0022 (8)
O140.0159 (13)0.0272 (13)0.0249 (10)0.0092 (12)0.0045 (8)0.0003 (8)
N10.0154 (14)0.0162 (14)0.0170 (11)0.0083 (13)0.0043 (10)0.0023 (9)
N20.0113 (14)0.0109 (12)0.0143 (10)0.0026 (12)0.0024 (9)0.0022 (9)
N30.0124 (14)0.0154 (13)0.0171 (10)0.0078 (12)0.0028 (9)0.0027 (9)
N40.0134 (14)0.0126 (13)0.0189 (11)0.0030 (12)0.0046 (9)0.0033 (9)
N50.0145 (14)0.0144 (13)0.0126 (10)0.0015 (12)0.0015 (9)0.0008 (9)
N60.0221 (16)0.0243 (15)0.0154 (11)0.0033 (14)0.0061 (10)0.0005 (10)
C10.0082 (16)0.0095 (15)0.0148 (12)0.0004 (14)0.0024 (10)0.0014 (10)
C20.0090 (16)0.0083 (14)0.0139 (11)0.0008 (14)0.0021 (10)0.0018 (10)
C30.0142 (17)0.0160 (16)0.0122 (12)0.0047 (15)0.0013 (11)0.0018 (10)
C40.0129 (17)0.0177 (16)0.0204 (13)0.0081 (15)0.0000 (11)0.0028 (11)
C50.0113 (16)0.0074 (14)0.0154 (12)0.0011 (14)0.0038 (11)0.0040 (10)
C60.0149 (16)0.0166 (15)0.0142 (12)0.0095 (15)0.0029 (10)0.0047 (10)
C70.0129 (17)0.0098 (15)0.0177 (12)0.0026 (14)0.0063 (11)0.0033 (10)
C80.0148 (17)0.0145 (16)0.0248 (14)0.0057 (15)0.0040 (12)0.0038 (11)
C90.0168 (18)0.0156 (17)0.0354 (16)0.0064 (16)0.0095 (13)0.0012 (12)
C100.0234 (19)0.0209 (17)0.0241 (14)0.0092 (16)0.0102 (13)0.0013 (12)
C110.0226 (19)0.0219 (17)0.0149 (12)0.0081 (16)0.0072 (12)0.0015 (11)
C120.0126 (17)0.0097 (16)0.0155 (12)0.0070 (15)0.0041 (11)0.0027 (11)
C130.0202 (18)0.0269 (18)0.0134 (12)0.0118 (16)0.0051 (11)0.0005 (11)
C140.0178 (17)0.0130 (16)0.0120 (12)0.0028 (15)0.0034 (11)0.0007 (10)
C150.0224 (19)0.0242 (18)0.0169 (13)0.0082 (17)0.0058 (12)0.0053 (12)
C160.028 (2)0.027 (2)0.0276 (15)0.0115 (18)0.0052 (14)0.0039 (13)
C170.033 (2)0.0259 (19)0.0259 (15)0.0081 (19)0.0023 (14)0.0069 (13)
C180.036 (2)0.030 (2)0.0146 (13)0.0051 (19)0.0051 (13)0.0063 (12)
O1W0.0244 (16)0.0289 (15)0.0343 (12)0.0134 (14)0.0042 (11)0.0016 (11)
O2W0.043 (2)0.0400 (19)0.0669 (18)0.0058 (18)0.0258 (15)0.0148 (14)
O3W0.0441 (17)0.0359 (15)0.0235 (12)0.0228 (14)0.0041 (11)0.0028 (10)
Geometric parameters (Å, º) top
Cu1—N31.912 (2)C3—H30.9500
Cu1—O111.9426 (18)C4—H40.9500
Cu1—N42.002 (2)C6—C71.509 (3)
Cu1—N22.045 (2)C6—H6A0.9900
Cu1—O2i2.3292 (19)C6—H6B0.9900
S1—O141.459 (2)C7—C81.393 (4)
S1—O121.4680 (18)C8—C91.381 (4)
S1—O131.4747 (18)C8—H80.9500
S1—O111.505 (2)C9—C101.385 (4)
O1—C51.244 (3)C9—H90.9500
O2—C121.230 (3)C10—C111.376 (4)
O2—Cu1i2.3292 (19)C10—H100.9500
N1—C41.325 (3)C11—H110.9500
N1—C11.348 (3)C13—C141.505 (4)
N2—C31.328 (3)C13—H13A0.9900
N2—C21.353 (3)C13—H13B0.9900
N3—C51.318 (3)C14—C151.384 (4)
N3—C61.460 (3)C15—C161.391 (4)
N4—C71.346 (3)C15—H150.9500
N4—C111.350 (3)C16—C171.380 (4)
N5—C121.329 (3)C16—H160.9500
N5—C131.461 (3)C17—C181.372 (5)
N5—H5N0.8800C17—H170.9500
N6—C181.342 (4)C18—H180.9500
N6—C141.347 (3)O1W—H190.85 (4)
N6—H6N0.8800O1W—H200.82 (5)
C1—C21.391 (3)O2W—H210.90 (5)
C1—C121.522 (3)O2W—H220.88 (2)
C2—C51.515 (3)O3W—H230.84 (4)
C3—C41.398 (4)O3W—H240.82 (4)
N3—Cu1—O11165.57 (9)N3—C6—C7107.6 (2)
N3—Cu1—N481.69 (9)N3—C6—H6A110.2
O11—Cu1—N4100.81 (8)C7—C6—H6A110.2
N3—Cu1—N281.08 (8)N3—C6—H6B110.2
O11—Cu1—N295.58 (8)C7—C6—H6B110.2
N4—Cu1—N2162.72 (8)H6A—C6—H6B108.5
N3—Cu1—O2i107.81 (9)N4—C7—C8121.4 (2)
O11—Cu1—O2i86.39 (7)N4—C7—C6116.6 (2)
N4—Cu1—O2i92.05 (8)C8—C7—C6121.9 (2)
N2—Cu1—O2i94.45 (8)C9—C8—C7118.8 (3)
O14—S1—O12111.32 (12)C9—C8—H8120.6
O14—S1—O13110.36 (11)C7—C8—H8120.6
O12—S1—O13109.97 (11)C8—C9—C10119.6 (3)
O14—S1—O11108.83 (12)C8—C9—H9120.2
O12—S1—O11108.07 (11)C10—C9—H9120.2
O13—S1—O11108.20 (11)C11—C10—C9118.8 (2)
C12—O2—Cu1i132.92 (15)C11—C10—H10120.6
S1—O11—Cu1121.36 (10)C9—C10—H10120.6
C4—N1—C1117.2 (2)N4—C11—C10122.1 (2)
C3—N2—C2119.1 (2)N4—C11—H11118.9
C3—N2—Cu1128.92 (16)C10—C11—H11118.9
C2—N2—Cu1111.94 (16)O2—C12—N5123.9 (2)
C5—N3—C6120.7 (2)O2—C12—C1120.1 (2)
C5—N3—Cu1120.24 (17)N5—C12—C1115.8 (2)
C6—N3—Cu1118.86 (15)N5—C13—C14113.1 (2)
C7—N4—C11119.1 (2)N5—C13—H13A109.0
C7—N4—Cu1115.18 (16)C14—C13—H13A109.0
C11—N4—Cu1125.65 (18)N5—C13—H13B109.0
C12—N5—C13121.9 (2)C14—C13—H13B109.0
C12—N5—H5N119.0H13A—C13—H13B107.8
C13—N5—H5N119.0N6—C14—C15118.6 (3)
C18—N6—C14122.6 (3)N6—C14—C13117.0 (2)
C18—N6—H6N118.7C15—C14—C13124.3 (2)
C14—N6—H6N118.7C14—C15—C16119.6 (2)
N1—C1—C2121.7 (2)C14—C15—H15120.2
N1—C1—C12114.0 (2)C16—C15—H15120.2
C2—C1—C12124.2 (2)C17—C16—C15119.9 (3)
N2—C2—C1119.7 (2)C17—C16—H16120.1
N2—C2—C5115.4 (2)C15—C16—H16120.1
C1—C2—C5125.0 (2)C18—C17—C16118.8 (3)
N2—C3—C4119.9 (2)C18—C17—H17120.6
N2—C3—H3120.0C16—C17—H17120.6
C4—C3—H3120.0N6—C18—C17120.4 (3)
N1—C4—C3122.4 (2)N6—C18—H18119.8
N1—C4—H4118.8C17—C18—H18119.8
C3—C4—H4118.8H19—O1W—H20103 (5)
O1—C5—N3129.2 (2)H21—O2W—H22109 (4)
O1—C5—C2119.5 (2)H23—O3W—H24110 (4)
N3—C5—C2111.3 (2)
O14—S1—O11—Cu1140.82 (12)N2—C3—C4—N10.3 (4)
O12—S1—O11—Cu119.80 (15)C6—N3—C5—O13.1 (4)
O13—S1—O11—Cu199.24 (13)Cu1—N3—C5—O1177.5 (2)
N3—Cu1—O11—S122.2 (4)C6—N3—C5—C2177.0 (2)
N4—Cu1—O11—S176.48 (14)Cu1—N3—C5—C22.6 (3)
N2—Cu1—O11—S198.00 (13)N2—C2—C5—O1179.7 (2)
O2i—Cu1—O11—S1167.88 (13)C1—C2—C5—O11.6 (4)
N3—Cu1—N2—C3176.7 (3)N2—C2—C5—N30.4 (3)
O11—Cu1—N2—C317.4 (3)C1—C2—C5—N3178.3 (3)
N4—Cu1—N2—C3178.9 (3)C5—N3—C6—C7174.9 (2)
O2i—Cu1—N2—C369.4 (2)Cu1—N3—C6—C70.4 (3)
N3—Cu1—N2—C22.32 (19)C11—N4—C7—C83.2 (4)
O11—Cu1—N2—C2163.53 (18)Cu1—N4—C7—C8178.5 (2)
N4—Cu1—N2—C22.1 (4)C11—N4—C7—C6175.8 (2)
O2i—Cu1—N2—C2109.68 (18)Cu1—N4—C7—C62.5 (3)
O11—Cu1—N3—C574.7 (4)N3—C6—C7—N41.4 (3)
N4—Cu1—N3—C5175.9 (2)N3—C6—C7—C8179.6 (3)
N2—Cu1—N3—C52.8 (2)N4—C7—C8—C94.0 (4)
O2i—Cu1—N3—C594.7 (2)C6—C7—C8—C9174.9 (3)
O11—Cu1—N3—C699.8 (4)C7—C8—C9—C101.7 (4)
N4—Cu1—N3—C61.3 (2)C8—C9—C10—C111.4 (5)
N2—Cu1—N3—C6177.4 (2)C7—N4—C11—C100.1 (4)
O2i—Cu1—N3—C690.8 (2)Cu1—N4—C11—C10178.1 (2)
N3—Cu1—N4—C72.1 (2)C9—C10—C11—N42.3 (5)
O11—Cu1—N4—C7163.48 (19)Cu1i—O2—C12—N5162.33 (18)
N2—Cu1—N4—C72.3 (4)Cu1i—O2—C12—C113.2 (3)
O2i—Cu1—N4—C7109.8 (2)C13—N5—C12—O22.0 (4)
N3—Cu1—N4—C11176.1 (2)C13—N5—C12—C1173.8 (2)
O11—Cu1—N4—C1118.4 (2)N1—C1—C12—O293.9 (3)
N2—Cu1—N4—C11179.5 (3)C2—C1—C12—O281.8 (3)
O2i—Cu1—N4—C1168.4 (2)N1—C1—C12—N582.0 (3)
C4—N1—C1—C21.0 (4)C2—C1—C12—N5102.3 (3)
C4—N1—C1—C12174.9 (2)C12—N5—C13—C1493.1 (3)
C3—N2—C2—C11.3 (4)C18—N6—C14—C152.3 (4)
Cu1—N2—C2—C1179.5 (2)C18—N6—C14—C13177.7 (3)
C3—N2—C2—C5177.5 (2)N5—C13—C14—N6159.4 (3)
Cu1—N2—C2—C51.7 (3)N5—C13—C14—C1520.6 (4)
N1—C1—C2—N20.1 (4)N6—C14—C15—C162.3 (4)
C12—C1—C2—N2175.6 (3)C13—C14—C15—C16177.7 (3)
N1—C1—C2—C5178.6 (3)C14—C15—C16—C170.6 (5)
C12—C1—C2—C53.1 (4)C15—C16—C17—C181.1 (5)
C2—N2—C3—C41.4 (4)C14—N6—C18—C170.5 (5)
Cu1—N2—C3—C4179.6 (2)C16—C17—C18—N61.2 (5)
C1—N1—C4—C30.9 (4)
Symmetry code: (i) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N5—H5N···O12ii0.882.052.864 (3)153
N6—H6N···O2Wiii0.881.772.644 (5)173
O1W—H19···O1i0.85 (5)1.93 (5)2.770 (4)172 (5)
O1W—H20···O13iv0.82 (5)2.00 (5)2.821 (3)176 (5)
O2W—H21···O1W0.90 (5)1.88 (5)2.772 (4)171 (4)
O2W—H22···O3Wv0.88 (4)1.87 (4)2.715 (5)160 (5)
O3W—H23···O13vi0.84 (4)2.00 (4)2.829 (3)171 (4)
O3W—H24···O14vii0.82 (5)2.00 (5)2.817 (4)172 (4)
C8—H8···O12viii0.952.443.280 (3)147
C9—H9···O12vii0.952.463.358 (5)158
C10—H10···O14vii0.952.523.283 (4)137
C15—H15···O10.952.163.103 (3)172
C18—H18···O11iii0.952.253.119 (4)152
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y, z+1; (iii) x, y, z+1; (iv) x, y+1, z; (v) x1, y, z; (vi) x+1, y, z; (vii) x+1, y, z; (viii) x+1, y, z+1.
 

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