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In the crystal structure of the title complex, [Cu(bda)(bipy)2]·4H2O [H2bda = (p-phenyl­ene­dioxy)­di­acetic acid or benzene-1,4-dioxy­acetic acid (C10H10O6) and bipy = 2,2′-bi­pyridine (C10H8N2)], the CuII centre is pentacoordinated, with a square-pyramidal geometry comprising four N atoms from two chelating bipy ligands and one carboxyl­ate O atom of the bda ligand. The other three uncoordinated carboxyl­ate O atoms of the bda ligand act as the acceptors of four O—H...O hydrogen bonds from the water molecules, among which another four O—H...O hydrogen-bonding interactions are also observed, resulting in a two-dimensional supramolecular pattern.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804017064/ww6234sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804017064/ww6234Isup2.hkl
Contains datablock I

CCDC reference: 248740

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.054
  • wR factor = 0.150
  • Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H9B .. H10B .. 1.93 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT417_ALERT_2_C Short Inter D-H..H-D H8B .. H9A .. 2.15 Ang.
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 1 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: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Berndt, 1999); software used to prepare material for publication: SHELXL97.

[(p-phenylenedioxy)diacetato]bis(2,2'-bipyridine)copper(II) tetrahydrate top
Crystal data top
[Cu(C10H8O6)(C10H8N2)2]·4H2OF(000) = 1396
Mr = 672.14Dx = 1.498 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 800 reflections
a = 14.460 (4) Åθ = 2.6–21.6°
b = 10.112 (3) ŵ = 0.80 mm1
c = 20.394 (5) ÅT = 293 K
β = 91.459 (5)°Block, blue
V = 2981.1 (13) Å30.16 × 0.14 × 0.10 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
6108 independent reflections
Radiation source: fine-focus sealed tube3301 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.089
φ and ω scansθmax = 26.4°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1816
Tmin = 0.796, Tmax = 0.923k = 129
16900 measured reflectionsl = 2525
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)] = 0.054Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.150H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.0677P)2]
where P = (Fo2 + 2Fc2)/3
6108 reflections(Δ/σ)max < 0.001
406 parametersΔρmax = 0.35 e Å3
0 restraintsΔρmin = 0.43 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
Cu10.25648 (4)0.94586 (5)0.99794 (3)0.03134 (18)
N10.3376 (2)0.8704 (4)0.93091 (17)0.0287 (9)
N20.3572 (2)1.0861 (3)0.99907 (18)0.0307 (9)
N30.1582 (2)1.0380 (3)0.92986 (17)0.0317 (9)
N40.1749 (2)1.0394 (3)1.05999 (17)0.0310 (9)
O10.1905 (2)0.7778 (3)1.01244 (16)0.0388 (8)
O20.2885 (2)0.7313 (3)1.09445 (18)0.0561 (10)
O30.1065 (2)0.5429 (3)1.01792 (16)0.0416 (8)
O40.2505 (2)0.3835 (4)0.78124 (17)0.0509 (9)
O50.4393 (2)0.4176 (3)0.80279 (18)0.0503 (9)
O60.4656 (2)0.2064 (3)0.77815 (16)0.0481 (9)
C10.3246 (3)0.7549 (5)0.9004 (2)0.0398 (12)
H10.27840.69880.91490.048*
C20.3768 (3)0.7154 (5)0.8485 (2)0.0407 (12)
H20.36680.63350.82890.049*
C30.4443 (4)0.7993 (5)0.8259 (2)0.0460 (13)
H30.47990.77530.79050.055*
C40.4578 (3)0.9195 (5)0.8569 (2)0.0381 (12)
H40.50240.97800.84220.046*
C50.4047 (3)0.9522 (4)0.9098 (2)0.0286 (10)
C60.4174 (3)1.0739 (4)0.9496 (2)0.0294 (10)
C70.4854 (3)1.1663 (5)0.9386 (2)0.0365 (11)
H70.52591.15560.90420.044*
C80.4925 (3)1.2754 (5)0.9796 (2)0.0434 (13)
H80.53711.33990.97290.052*
C90.4322 (3)1.2864 (5)1.0306 (2)0.0418 (13)
H90.43631.35801.05910.050*
C100.3661 (3)1.1907 (5)1.0390 (2)0.0392 (12)
H100.32611.19881.07380.047*
C110.1533 (3)1.0324 (4)0.8649 (2)0.0363 (11)
H110.19570.98010.84320.044*
C120.0883 (4)1.1005 (5)0.8283 (2)0.0456 (13)
H120.08581.09300.78290.055*
C130.0266 (4)1.1803 (5)0.8601 (3)0.0492 (14)
H130.01721.22950.83640.059*
C140.0309 (3)1.1861 (5)0.9272 (2)0.0417 (12)
H140.01041.23890.94960.050*
C150.0967 (3)1.1134 (4)0.9612 (2)0.0295 (10)
C160.1051 (3)1.1109 (4)1.0335 (2)0.0330 (11)
C170.0431 (3)1.1741 (5)1.0729 (3)0.0459 (13)
H170.00581.22211.05430.055*
C180.0540 (4)1.1658 (5)1.1403 (3)0.0561 (15)
H180.01321.20931.16740.067*
C190.1249 (4)1.0935 (5)1.1666 (3)0.0510 (14)
H190.13311.08651.21190.061*
C200.1840 (3)1.0313 (5)1.1257 (2)0.0423 (12)
H200.23240.98161.14380.051*
C210.2209 (3)0.7053 (5)1.0584 (2)0.0347 (11)
C220.1673 (3)0.5789 (5)1.0707 (2)0.0408 (12)
H22A0.21080.50741.07870.049*
H22B0.13160.59001.10990.049*
C230.1472 (3)0.5001 (4)0.9610 (2)0.0361 (11)
C240.1002 (3)0.5243 (5)0.9025 (3)0.0434 (13)
H240.04380.56840.90280.052*
C250.1351 (3)0.4844 (5)0.8437 (2)0.0421 (12)
H250.10220.50170.80490.050*
C260.2195 (3)0.4181 (4)0.8420 (2)0.0356 (11)
C270.2663 (3)0.3943 (5)0.8999 (3)0.0480 (14)
H270.32250.34960.89970.058*
C280.2306 (3)0.4363 (5)0.9595 (2)0.0456 (13)
H280.26380.42070.99840.055*
C290.3127 (3)0.2746 (5)0.7769 (3)0.0444 (13)
H29A0.30400.23470.73400.053*
H29B0.29520.20910.80910.053*
C300.4151 (3)0.3037 (5)0.7873 (2)0.0363 (11)
O70.6454 (3)0.1500 (3)0.78322 (19)0.0674 (11)
H7A0.59050.17750.77640.101*
H7B0.67040.18820.81630.101*
O80.6076 (3)0.4814 (4)0.8512 (2)0.0674 (11)
H8A0.56150.45560.82780.101*
H8B0.64930.42220.85290.101*
O90.2890 (3)0.3094 (4)0.1865 (2)0.0973 (16)
H9A0.31710.37850.17400.146*
H9B0.26470.32280.22340.146*
O100.6235 (3)0.8834 (5)0.7320 (2)0.0928 (15)
H10A0.64780.95830.74030.139*
H10B0.65810.82120.74620.139*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0285 (3)0.0332 (3)0.0325 (3)0.0018 (3)0.0040 (2)0.0030 (3)
N10.027 (2)0.029 (2)0.030 (2)0.0021 (16)0.0006 (17)0.0020 (16)
N20.031 (2)0.029 (2)0.032 (2)0.0019 (16)0.0042 (18)0.0042 (17)
N30.035 (2)0.032 (2)0.028 (2)0.0003 (17)0.0031 (17)0.0003 (17)
N40.029 (2)0.034 (2)0.030 (2)0.0005 (17)0.0020 (16)0.0034 (17)
O10.0396 (19)0.036 (2)0.041 (2)0.0014 (15)0.0010 (16)0.0012 (16)
O20.046 (2)0.061 (3)0.060 (2)0.0086 (18)0.0162 (19)0.0006 (19)
O30.0335 (17)0.043 (2)0.049 (2)0.0017 (15)0.0085 (16)0.0080 (17)
O40.044 (2)0.063 (2)0.046 (2)0.0154 (17)0.0021 (18)0.0062 (18)
O50.043 (2)0.037 (2)0.071 (3)0.0010 (16)0.0030 (19)0.0051 (18)
O60.041 (2)0.048 (2)0.056 (2)0.0116 (17)0.0060 (17)0.0008 (18)
C10.040 (3)0.033 (3)0.047 (3)0.000 (2)0.003 (2)0.004 (2)
C20.047 (3)0.035 (3)0.041 (3)0.002 (2)0.003 (2)0.011 (2)
C30.056 (3)0.053 (4)0.030 (3)0.001 (3)0.012 (3)0.006 (2)
C40.043 (3)0.040 (3)0.031 (3)0.002 (2)0.009 (2)0.004 (2)
C50.029 (2)0.029 (3)0.028 (2)0.005 (2)0.0012 (19)0.001 (2)
C60.028 (2)0.031 (3)0.028 (2)0.003 (2)0.0051 (19)0.004 (2)
C70.035 (3)0.038 (3)0.037 (3)0.002 (2)0.001 (2)0.007 (2)
C80.045 (3)0.035 (3)0.050 (3)0.004 (2)0.006 (3)0.003 (2)
C90.047 (3)0.034 (3)0.044 (3)0.004 (2)0.016 (3)0.004 (2)
C100.041 (3)0.038 (3)0.038 (3)0.007 (2)0.001 (2)0.003 (2)
C110.041 (3)0.038 (3)0.030 (3)0.004 (2)0.005 (2)0.001 (2)
C120.061 (3)0.047 (3)0.028 (3)0.001 (3)0.001 (3)0.006 (2)
C130.058 (3)0.044 (3)0.044 (3)0.010 (3)0.008 (3)0.007 (3)
C140.039 (3)0.042 (3)0.044 (3)0.009 (2)0.003 (2)0.002 (2)
C150.026 (2)0.025 (2)0.037 (3)0.0036 (19)0.006 (2)0.004 (2)
C160.027 (2)0.029 (3)0.043 (3)0.001 (2)0.008 (2)0.006 (2)
C170.046 (3)0.039 (3)0.053 (4)0.007 (2)0.009 (3)0.009 (3)
C180.061 (4)0.063 (4)0.046 (4)0.002 (3)0.023 (3)0.016 (3)
C190.068 (4)0.054 (4)0.031 (3)0.007 (3)0.009 (3)0.005 (3)
C200.048 (3)0.045 (3)0.034 (3)0.000 (2)0.002 (2)0.002 (2)
C210.030 (3)0.036 (3)0.038 (3)0.004 (2)0.008 (2)0.004 (2)
C220.045 (3)0.041 (3)0.037 (3)0.003 (2)0.005 (2)0.004 (2)
C230.030 (3)0.029 (3)0.049 (3)0.007 (2)0.002 (2)0.002 (2)
C240.030 (3)0.038 (3)0.062 (4)0.006 (2)0.003 (2)0.005 (3)
C250.038 (3)0.043 (3)0.044 (3)0.005 (2)0.008 (2)0.005 (2)
C260.031 (2)0.037 (3)0.039 (3)0.003 (2)0.002 (2)0.004 (2)
C270.038 (3)0.051 (3)0.055 (4)0.020 (2)0.006 (3)0.008 (3)
C280.039 (3)0.058 (3)0.040 (3)0.015 (3)0.000 (2)0.004 (3)
C290.040 (3)0.047 (3)0.046 (3)0.002 (2)0.002 (2)0.013 (2)
C300.038 (3)0.046 (3)0.025 (3)0.001 (2)0.005 (2)0.008 (2)
O70.054 (2)0.068 (3)0.080 (3)0.015 (2)0.011 (2)0.008 (2)
O80.053 (2)0.055 (3)0.093 (3)0.0059 (19)0.015 (2)0.004 (2)
O90.090 (3)0.066 (3)0.137 (4)0.015 (3)0.042 (3)0.006 (3)
O100.104 (4)0.096 (4)0.078 (3)0.020 (3)0.003 (3)0.013 (3)
Geometric parameters (Å, º) top
Cu1—O11.975 (3)C12—C131.377 (7)
Cu1—N11.977 (3)C12—H120.9300
Cu1—N41.990 (3)C13—C141.369 (7)
Cu1—N22.032 (4)C13—H130.9300
Cu1—N32.172 (4)C14—C151.377 (6)
N1—C11.334 (5)C14—H140.9300
N1—C51.354 (5)C15—C161.477 (6)
N2—C101.340 (5)C16—C171.376 (6)
N2—C61.355 (5)C17—C181.382 (7)
N3—C111.327 (5)C17—H170.9300
N3—C151.345 (5)C18—C191.358 (7)
N4—C161.344 (5)C18—H180.9300
N4—C201.346 (6)C19—C201.364 (7)
O1—C211.259 (5)C19—H190.9300
O2—C211.237 (5)C20—H200.9300
O3—C231.383 (5)C21—C221.520 (6)
O3—C221.419 (5)C22—H22A0.9700
O4—C261.373 (5)C22—H22B0.9700
O4—C291.427 (5)C23—C281.369 (6)
O5—C301.241 (6)C23—C241.381 (7)
O6—C301.243 (5)C24—C251.372 (7)
C1—C21.375 (6)C24—H240.9300
C1—H10.9300C25—C261.394 (6)
C2—C31.380 (7)C25—H250.9300
C2—H20.9300C26—C271.368 (7)
C3—C41.382 (6)C27—C281.398 (7)
C3—H30.9300C27—H270.9300
C4—C51.380 (6)C28—H280.9300
C4—H40.9300C29—C301.519 (6)
C5—C61.484 (6)C29—H29A0.9700
C6—C71.379 (6)C29—H29B0.9700
C7—C81.387 (6)O7—H7A0.8499
C7—H70.9300O7—H7B0.8500
C8—C91.377 (7)O8—H8A0.8502
C8—H80.9300O8—H8B0.8500
C9—C101.374 (6)O9—H9A0.8501
C9—H90.9300O9—H9B0.8502
C10—H100.9300O10—H10A0.8502
C11—C121.370 (6)O10—H10B0.8504
C11—H110.9300
O1—Cu1—N193.94 (14)C12—C13—H13120.6
O1—Cu1—N491.00 (13)C13—C14—C15119.7 (5)
N1—Cu1—N4173.98 (15)C13—C14—H14120.2
O1—Cu1—N2161.33 (14)C15—C14—H14120.2
N1—Cu1—N280.76 (15)N3—C15—C14121.3 (4)
N4—Cu1—N295.58 (14)N3—C15—C16115.3 (4)
O1—Cu1—N398.89 (13)C14—C15—C16123.5 (4)
N1—Cu1—N396.54 (14)N4—C16—C17120.7 (4)
N4—Cu1—N379.28 (14)N4—C16—C15116.8 (4)
N2—Cu1—N399.49 (14)C17—C16—C15122.5 (4)
C1—N1—C5118.7 (4)C16—C17—C18119.5 (5)
C1—N1—Cu1125.5 (3)C16—C17—H17120.3
C5—N1—Cu1115.3 (3)C18—C17—H17120.3
C10—N2—C6118.1 (4)C19—C18—C17119.5 (5)
C10—N2—Cu1128.0 (3)C19—C18—H18120.3
C6—N2—Cu1113.7 (3)C17—C18—H18120.3
C11—N3—C15118.7 (4)C18—C19—C20119.0 (5)
C11—N3—Cu1129.6 (3)C18—C19—H19120.5
C15—N3—Cu1111.6 (3)C20—C19—H19120.5
C16—N4—C20119.1 (4)N4—C20—C19122.3 (5)
C16—N4—Cu1116.9 (3)N4—C20—H20118.8
C20—N4—Cu1124.0 (3)C19—C20—H20118.8
C21—O1—Cu1116.8 (3)O2—C21—O1125.1 (5)
C23—O3—C22116.6 (3)O2—C21—C22118.7 (4)
C26—O4—C29118.2 (4)O1—C21—C22116.3 (4)
N1—C1—C2122.7 (5)O3—C22—C21113.5 (4)
N1—C1—H1118.7O3—C22—H22A108.9
C2—C1—H1118.7C21—C22—H22A108.9
C1—C2—C3119.0 (5)O3—C22—H22B108.9
C1—C2—H2120.5C21—C22—H22B108.9
C3—C2—H2120.5H22A—C22—H22B107.7
C2—C3—C4118.7 (4)C28—C23—C24118.6 (5)
C2—C3—H3120.6C28—C23—O3124.1 (5)
C4—C3—H3120.6C24—C23—O3117.3 (4)
C5—C4—C3119.5 (4)C25—C24—C23121.3 (4)
C5—C4—H4120.2C25—C24—H24119.4
C3—C4—H4120.2C23—C24—H24119.4
N1—C5—C4121.4 (4)C24—C25—C26120.3 (5)
N1—C5—C6114.4 (4)C24—C25—H25119.8
C4—C5—C6124.3 (4)C26—C25—H25119.8
N2—C6—C7122.3 (4)C27—C26—O4124.7 (4)
N2—C6—C5114.2 (4)C27—C26—C25118.5 (4)
C7—C6—C5123.5 (4)O4—C26—C25116.8 (4)
C6—C7—C8118.8 (4)C26—C27—C28120.8 (4)
C6—C7—H7120.6C26—C27—H27119.6
C8—C7—H7120.6C28—C27—H27119.6
C9—C8—C7118.8 (5)C23—C28—C27120.5 (5)
C9—C8—H8120.6C23—C28—H28119.7
C7—C8—H8120.6C27—C28—H28119.7
C10—C9—C8119.6 (5)O4—C29—C30117.1 (4)
C10—C9—H9120.2O4—C29—H29A108.0
C8—C9—H9120.2C30—C29—H29A108.0
N2—C10—C9122.4 (5)O4—C29—H29B108.0
N2—C10—H10118.8C30—C29—H29B108.0
C9—C10—H10118.8H29A—C29—H29B107.3
N3—C11—C12122.7 (4)O5—C30—O6127.6 (5)
N3—C11—H11118.6O5—C30—C29118.9 (4)
C12—C11—H11118.6O6—C30—C29113.6 (4)
C11—C12—C13118.8 (5)H7A—O7—H7B111.0
C11—C12—H12120.6H8A—O8—H8B110.5
C13—C12—H12120.6H9A—O9—H9B110.2
C14—C13—C12118.8 (5)H10A—O10—H10B110.7
C14—C13—H13120.6
O1—Cu1—N1—C114.4 (4)C6—C7—C8—C91.0 (7)
N2—Cu1—N1—C1176.4 (4)C7—C8—C9—C100.9 (7)
N3—Cu1—N1—C185.0 (4)C6—N2—C10—C91.5 (6)
O1—Cu1—N1—C5173.8 (3)Cu1—N2—C10—C9173.1 (3)
N2—Cu1—N1—C511.9 (3)C8—C9—C10—N20.4 (7)
N3—Cu1—N1—C586.7 (3)C15—N3—C11—C120.2 (7)
O1—Cu1—N2—C10100.2 (5)Cu1—N3—C11—C12177.7 (4)
N1—Cu1—N2—C10174.9 (4)N3—C11—C12—C131.4 (8)
N4—Cu1—N2—C1010.0 (4)C11—C12—C13—C141.7 (8)
N3—Cu1—N2—C1090.0 (4)C12—C13—C14—C150.5 (8)
O1—Cu1—N2—C685.0 (5)C11—N3—C15—C141.5 (6)
N1—Cu1—N2—C610.3 (3)Cu1—N3—C15—C14176.8 (3)
N4—Cu1—N2—C6164.9 (3)C11—N3—C15—C16178.2 (4)
N3—Cu1—N2—C684.9 (3)Cu1—N3—C15—C163.5 (5)
O1—Cu1—N3—C1190.0 (4)C13—C14—C15—N31.2 (7)
N1—Cu1—N3—C115.0 (4)C13—C14—C15—C16178.5 (5)
N4—Cu1—N3—C11179.4 (4)C20—N4—C16—C170.7 (7)
N2—Cu1—N3—C1186.7 (4)Cu1—N4—C16—C17177.2 (3)
O1—Cu1—N3—C1592.0 (3)C20—N4—C16—C15178.3 (4)
N1—Cu1—N3—C15173.0 (3)Cu1—N4—C16—C150.4 (5)
N4—Cu1—N3—C152.6 (3)N3—C15—C16—N42.8 (6)
N2—Cu1—N3—C1591.3 (3)C14—C15—C16—N4177.5 (4)
O1—Cu1—N4—C16100.0 (3)N3—C15—C16—C17174.8 (4)
N2—Cu1—N4—C1697.5 (3)C14—C15—C16—C174.9 (7)
N3—Cu1—N4—C161.1 (3)N4—C16—C17—C181.3 (7)
O1—Cu1—N4—C2077.8 (4)C15—C16—C17—C18178.8 (5)
N2—Cu1—N4—C2084.7 (4)C16—C17—C18—C191.1 (8)
N3—Cu1—N4—C20176.6 (4)C17—C18—C19—C200.3 (8)
N1—Cu1—O1—C2193.7 (3)C16—N4—C20—C190.1 (7)
N4—Cu1—O1—C2189.8 (3)Cu1—N4—C20—C19177.8 (4)
N2—Cu1—O1—C2121.1 (6)C18—C19—C20—N40.3 (8)
N3—Cu1—O1—C21169.1 (3)Cu1—O1—C21—O20.3 (6)
C5—N1—C1—C20.1 (7)Cu1—O1—C21—C22177.7 (3)
Cu1—N1—C1—C2171.6 (4)C23—O3—C22—C2169.7 (5)
N1—C1—C2—C31.3 (7)O2—C21—C22—O3165.5 (4)
C1—C2—C3—C40.9 (7)O1—C21—C22—O316.4 (6)
C2—C3—C4—C50.7 (7)C22—O3—C23—C2830.0 (6)
C1—N1—C5—C41.5 (6)C22—O3—C23—C24149.8 (4)
Cu1—N1—C5—C4170.8 (3)C28—C23—C24—C250.7 (7)
C1—N1—C5—C6176.3 (4)O3—C23—C24—C25179.5 (4)
Cu1—N1—C5—C611.4 (4)C23—C24—C25—C260.0 (8)
C3—C4—C5—N11.9 (7)C29—O4—C26—C2726.1 (7)
C3—C4—C5—C6175.7 (4)C29—O4—C26—C25155.2 (4)
C10—N2—C6—C71.4 (6)C24—C25—C26—C270.1 (7)
Cu1—N2—C6—C7174.1 (3)C24—C25—C26—O4178.9 (4)
C10—N2—C6—C5177.5 (4)O4—C26—C27—C28178.2 (5)
Cu1—N2—C6—C57.1 (4)C25—C26—C27—C280.4 (7)
N1—C5—C6—N22.5 (5)C24—C23—C28—C271.2 (7)
C4—C5—C6—N2179.7 (4)O3—C23—C28—C27178.9 (4)
N1—C5—C6—C7176.3 (4)C26—C27—C28—C231.1 (8)
C4—C5—C6—C71.5 (7)C26—O4—C29—C3086.3 (5)
N2—C6—C7—C80.1 (7)O4—C29—C30—O54.4 (7)
C5—C6—C7—C8178.6 (4)O4—C29—C30—O6175.1 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O7—H7A···O60.851.832.661 (5)165
O7—H7B···O2i0.852.072.908 (5)170
O8—H8A···O50.851.872.681 (5)160
O8—H8B···O2i0.852.082.834 (5)148
O9—H9A···O8ii0.851.872.713 (6)173
O9—H9B···O7iii0.852.162.930 (6)151
O10—H10A···O7iv0.852.132.905 (6)152
O10—H10B···O9ii0.852.042.839 (7)156
Symmetry codes: (i) x+1, y+1, z+2; (ii) x+1, y+1, z+1; (iii) x1/2, y+1/2, z1/2; (iv) x, y+1, z.
 

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