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The title compound, [Cu(C10H8N2)(H2O)3](C20H10O7S2·2H2O, was obtained by a hydro­thermal route. The asymmetric unit contains one copper complex cation including three coordinated water molecules, one organic anion, three coordinated water mol­ecules and two uncoordinated water mol­ecules. The CuII atom exists in a distorted square-pyramidal geometry. Face-to-face offset π–π stacking and inter­molecular hydrogen-bond inter­actions generate a three-dimensional supramolec­ular array.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805031855/bd6010sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805031855/bd6010Isup2.hkl
Contains datablock I

CCDC reference: 289637

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • Disorder in main residue
  • R factor = 0.047
  • wR factor = 0.138
  • Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.31 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for S1' PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc. PLAT410_ALERT_2_C Short Intra H...H Contact H5 .. H20 .. 1.91 Ang. PLAT707_ALERT_1_C D...A Calc 2.698(9), Rep 2.710(9), Dev.. 1.33 Sigma O8 -O3 1.555 2.655 PLAT707_ALERT_1_C D...A Calc 2.734(10), Rep 2.745(11), Dev.. 1.10 Sigma O11 -O2 1.555 3.666
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus (Bruker, 1999); program(s) used to solve structure: SHELXTL (Bruker, 1999); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Triaqua(2,2'-bipyridine)copper(II) 7-oxadibenzofluorene-3,11-disulfonate dihydrate top
Crystal data top
[Cu(C10H8N2)(H2O)3](C20H10O7S2)·2H2OF(000) = 1516
Mr = 736.20Dx = 1.639 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 9.1978 (11) ÅCell parameters from 943 reflections
b = 22.423 (3) Åθ = 2.9–25.8°
c = 14.8597 (18) ŵ = 0.94 mm1
β = 103.287 (2)°T = 293 K
V = 2982.7 (6) Å3Plate, green
Z = 40.50 × 0.39 × 0.16 mm
Data collection top
Bruker SMART 1000 CCD
diffractometer
5731 independent reflections
Radiation source: fine-focus sealed tube3856 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.024
φ and ω scansθmax = 26.0°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1011
Tmin = 0.650, Tmax = 0.864k = 2327
10925 measured reflectionsl = 818
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)] = 0.047Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.138H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0714P)2 + 1.825P]
where P = (Fo2 + 2Fc2)/3
5731 reflections(Δ/σ)max = 0.001
452 parametersΔρmax = 0.59 e Å3
12 restraintsΔρmin = 0.26 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*/UeqOcc. (<1)
Cu10.33247 (5)0.65619 (2)0.44944 (3)0.04285 (16)
N10.1891 (3)0.71445 (13)0.37805 (19)0.0396 (7)
N20.3658 (3)0.63987 (15)0.3234 (2)0.0470 (8)
C260.3006 (4)0.67969 (17)0.2587 (3)0.0429 (9)
C250.1943 (4)0.72005 (16)0.2883 (2)0.0389 (8)
C230.0010 (5)0.79219 (19)0.2639 (3)0.0566 (11)
H230.06310.81840.22540.068*
C240.1024 (5)0.75915 (18)0.2301 (3)0.0511 (10)
H240.10880.76310.16890.061*
C220.0052 (5)0.78641 (18)0.3538 (3)0.0536 (10)
H220.07370.80830.37740.064*
C290.4825 (5)0.5953 (2)0.2127 (4)0.0678 (13)
H290.54210.56510.19760.081*
C300.4548 (4)0.5978 (2)0.3002 (3)0.0576 (11)
H300.49880.56970.34400.069*
C270.3299 (5)0.6800 (2)0.1718 (3)0.0567 (11)
H270.28750.70890.12880.068*
C210.0912 (4)0.74772 (17)0.4093 (3)0.0478 (9)
H210.08800.74460.47130.057*
C280.4227 (5)0.6370 (3)0.1491 (3)0.0664 (13)
H280.44390.63680.09080.080*
S20.13675 (10)0.61895 (5)0.53151 (6)0.0471 (3)
C180.0942 (4)0.61036 (16)0.4216 (2)0.0361 (8)
C150.1377 (4)0.63511 (15)0.2597 (2)0.0367 (8)
O40.0118 (3)0.62237 (12)0.01417 (16)0.0481 (7)
C190.0172 (4)0.56984 (16)0.4127 (2)0.0397 (8)
H190.06900.54880.46400.048*
C160.0279 (3)0.59158 (15)0.2493 (2)0.0331 (7)
C200.0495 (4)0.56133 (15)0.3294 (2)0.0360 (8)
H200.12500.53480.32460.043*
O50.2430 (3)0.57204 (15)0.53705 (19)0.0639 (8)
C40.1869 (4)0.49652 (15)0.1354 (2)0.0364 (8)
C110.0023 (4)0.58592 (15)0.1594 (2)0.0345 (8)
C90.0881 (4)0.57583 (17)0.0293 (2)0.0421 (9)
C100.0980 (4)0.54914 (15)0.1154 (2)0.0352 (8)
C170.1689 (4)0.64228 (16)0.3476 (2)0.0388 (8)
H170.24180.66930.35510.047*
C30.2746 (4)0.48026 (17)0.0706 (2)0.0405 (8)
C140.2085 (4)0.67216 (17)0.1849 (3)0.0445 (9)
H140.28190.69880.19300.053*
C10.3729 (4)0.39481 (17)0.1651 (3)0.0425 (9)
C130.1707 (4)0.66937 (17)0.1015 (3)0.0472 (9)
H130.21390.69450.05280.057*
C120.0636 (4)0.62676 (16)0.0928 (2)0.0401 (8)
O60.0044 (3)0.60993 (16)0.59806 (18)0.0656 (9)
C80.1690 (5)0.55978 (19)0.0343 (3)0.0499 (10)
H80.15890.58010.09000.060*
C50.1909 (4)0.45771 (16)0.2103 (2)0.0396 (8)
H50.12930.46550.25060.048*
O70.1957 (4)0.67785 (15)0.5357 (2)0.0703 (9)
C60.2823 (4)0.40884 (17)0.2259 (3)0.0453 (9)
H60.28420.38480.27720.054*
C20.3671 (4)0.42940 (18)0.0894 (3)0.0467 (9)
H20.42590.41930.04850.056*
C70.2638 (4)0.51305 (19)0.0120 (3)0.0498 (10)
H70.32350.50220.05210.060*
O80.5079 (3)0.72212 (14)0.5012 (2)0.0654 (8)
H8A0.59660.70790.51050.098*
H8B0.48910.74110.44990.098*
O90.2552 (3)0.66691 (12)0.56337 (17)0.0500 (7)
H9A0.32100.67020.61420.075*
H9B0.18210.64620.57300.075*
O100.4520 (3)0.58769 (13)0.5054 (2)0.0646 (8)
H10A0.42610.57390.55340.097*
H10B0.54820.58850.51760.097*
O110.2163 (5)0.5557 (2)0.7443 (3)0.1074 (14)
H11A0.27210.58650.76400.161*
H11B0.13460.57000.70920.161*
O120.3383 (4)0.51652 (15)0.6062 (3)0.0890 (11)
H12B0.31120.52400.65660.133*
H12A0.28090.48990.57550.133*
S10.48876 (12)0.33112 (5)0.18654 (8)0.0581 (3)0.384 (13)
O30.5431 (11)0.3231 (4)0.0999 (5)0.052 (3)0.384 (13)
O20.6050 (10)0.3477 (4)0.2620 (6)0.060 (3)0.384 (13)
O10.3960 (11)0.2818 (4)0.1994 (9)0.074 (4)0.384 (13)
S1'0.48876 (12)0.33112 (5)0.18654 (8)0.0581 (3)0.616 (13)
O2'0.5236 (10)0.3225 (4)0.2871 (4)0.086 (3)0.616 (13)
O1'0.4052 (8)0.2825 (3)0.1424 (6)0.090 (3)0.616 (13)
O3'0.6188 (8)0.3455 (4)0.1559 (7)0.105 (4)0.616 (13)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0370 (3)0.0463 (3)0.0452 (3)0.0016 (2)0.00914 (19)0.0049 (2)
N10.0391 (16)0.0387 (17)0.0389 (16)0.0039 (14)0.0049 (13)0.0016 (13)
N20.0350 (17)0.0484 (19)0.059 (2)0.0064 (15)0.0136 (15)0.0060 (16)
C260.039 (2)0.044 (2)0.046 (2)0.0145 (17)0.0100 (17)0.0033 (17)
C250.0377 (19)0.038 (2)0.0418 (19)0.0124 (16)0.0107 (16)0.0042 (16)
C230.061 (3)0.048 (2)0.054 (2)0.009 (2)0.000 (2)0.009 (2)
C240.059 (3)0.051 (2)0.040 (2)0.008 (2)0.0064 (19)0.0099 (18)
C220.056 (3)0.045 (2)0.056 (2)0.009 (2)0.004 (2)0.0076 (19)
C290.045 (3)0.079 (3)0.086 (3)0.011 (2)0.028 (2)0.032 (3)
C300.042 (2)0.060 (3)0.073 (3)0.000 (2)0.018 (2)0.010 (2)
C270.053 (3)0.067 (3)0.052 (2)0.015 (2)0.015 (2)0.006 (2)
C210.054 (2)0.049 (2)0.0379 (19)0.003 (2)0.0056 (17)0.0055 (17)
C280.050 (3)0.093 (4)0.060 (3)0.020 (3)0.021 (2)0.022 (3)
S20.0368 (5)0.0639 (7)0.0426 (5)0.0008 (5)0.0129 (4)0.0107 (5)
C180.0303 (18)0.039 (2)0.0406 (18)0.0026 (15)0.0122 (15)0.0060 (15)
C150.0296 (18)0.0329 (18)0.046 (2)0.0025 (15)0.0056 (15)0.0011 (15)
O40.0572 (16)0.0476 (16)0.0392 (14)0.0083 (13)0.0106 (12)0.0093 (12)
C190.037 (2)0.040 (2)0.0411 (19)0.0003 (16)0.0083 (16)0.0001 (16)
C160.0270 (17)0.0339 (19)0.0381 (18)0.0028 (14)0.0071 (14)0.0024 (14)
C200.0345 (18)0.0335 (19)0.0421 (19)0.0031 (15)0.0128 (15)0.0010 (15)
O50.0555 (18)0.082 (2)0.0610 (17)0.0149 (16)0.0279 (15)0.0021 (16)
C40.0319 (18)0.0363 (19)0.0408 (18)0.0042 (15)0.0075 (15)0.0048 (15)
C110.0296 (17)0.0332 (19)0.0402 (18)0.0036 (15)0.0072 (14)0.0018 (15)
C90.044 (2)0.046 (2)0.0364 (19)0.0009 (18)0.0085 (16)0.0018 (16)
C100.0345 (18)0.0346 (19)0.0368 (18)0.0061 (15)0.0093 (14)0.0019 (15)
C170.0258 (17)0.041 (2)0.050 (2)0.0026 (15)0.0089 (16)0.0079 (16)
C30.0352 (19)0.046 (2)0.0416 (19)0.0007 (17)0.0122 (15)0.0066 (16)
C140.036 (2)0.037 (2)0.058 (2)0.0051 (16)0.0069 (17)0.0008 (17)
C10.0340 (19)0.041 (2)0.050 (2)0.0019 (16)0.0047 (16)0.0091 (17)
C130.046 (2)0.043 (2)0.048 (2)0.0061 (18)0.0009 (17)0.0067 (17)
C120.042 (2)0.038 (2)0.0392 (19)0.0007 (17)0.0088 (16)0.0027 (16)
O60.0420 (16)0.109 (3)0.0456 (15)0.0037 (16)0.0093 (13)0.0109 (16)
C80.058 (3)0.058 (3)0.0374 (19)0.001 (2)0.0183 (18)0.0060 (18)
C50.042 (2)0.035 (2)0.0446 (19)0.0001 (16)0.0162 (16)0.0039 (16)
O70.078 (2)0.072 (2)0.0631 (18)0.0227 (18)0.0206 (16)0.0153 (16)
C60.048 (2)0.040 (2)0.047 (2)0.0012 (18)0.0085 (17)0.0002 (17)
C20.037 (2)0.055 (2)0.050 (2)0.0028 (18)0.0147 (17)0.0156 (19)
C70.053 (2)0.061 (3)0.042 (2)0.003 (2)0.0226 (18)0.0062 (19)
O80.0518 (17)0.070 (2)0.0676 (18)0.0137 (15)0.0007 (14)0.0132 (16)
O90.0419 (15)0.0668 (19)0.0405 (14)0.0011 (13)0.0077 (11)0.0054 (12)
O100.0470 (17)0.067 (2)0.083 (2)0.0149 (15)0.0211 (15)0.0262 (16)
O110.099 (3)0.138 (4)0.084 (3)0.018 (3)0.020 (2)0.015 (3)
O120.086 (3)0.062 (2)0.124 (3)0.0077 (19)0.034 (2)0.018 (2)
S10.0494 (6)0.0565 (7)0.0637 (7)0.0180 (5)0.0030 (5)0.0080 (5)
O30.042 (6)0.054 (5)0.060 (5)0.016 (4)0.009 (4)0.016 (4)
O20.045 (5)0.068 (6)0.059 (5)0.006 (4)0.006 (4)0.001 (4)
O10.074 (6)0.035 (5)0.118 (10)0.003 (4)0.030 (7)0.007 (6)
S1'0.0494 (6)0.0565 (7)0.0637 (7)0.0180 (5)0.0030 (5)0.0080 (5)
O2'0.081 (6)0.091 (5)0.072 (4)0.038 (5)0.011 (3)0.003 (3)
O1'0.091 (5)0.066 (4)0.097 (6)0.017 (4)0.013 (5)0.040 (4)
O3'0.053 (4)0.106 (6)0.163 (10)0.025 (4)0.036 (6)0.035 (6)
Geometric parameters (Å, º) top
Cu1—N11.982 (3)C16—C111.432 (4)
Cu1—N22.000 (3)C20—H200.9300
Cu1—O82.194 (3)C4—C51.407 (5)
Cu1—O91.996 (3)C4—C101.427 (5)
Cu1—O101.959 (3)C4—C31.437 (5)
N1—C211.333 (5)C11—C121.381 (5)
N1—C251.351 (4)C11—C101.465 (5)
N2—C301.345 (5)C9—C81.379 (5)
N2—C261.348 (5)C9—C101.395 (5)
C26—C271.379 (5)C17—H170.9300
C26—C251.472 (5)C3—C21.412 (5)
C25—C241.377 (5)C3—C71.415 (5)
C23—C221.356 (6)C14—C131.364 (5)
C23—C241.373 (6)C14—H140.9300
C23—H230.9300C1—C21.358 (5)
C24—H240.9300C1—C61.399 (5)
C22—C211.372 (5)C1—S11.766 (4)
C22—H220.9300C13—C121.400 (5)
C29—C281.354 (7)C13—H130.9300
C29—C301.382 (6)C8—C71.355 (6)
C29—H290.9300C8—H80.9300
C30—H300.9300C5—C61.368 (5)
C27—C281.379 (6)C5—H50.9300
C27—H270.9300C6—H60.9300
C21—H210.9300C2—H20.9300
C28—H280.9300C7—H70.9300
S2—O71.434 (3)O8—H8A0.8565
S2—O51.451 (3)O8—H8B0.8546
S2—O61.454 (3)O9—H9A0.8556
S2—C181.775 (3)O9—H9B0.8556
C18—C171.359 (5)O10—H10A0.8588
C18—C191.399 (5)O10—H10B0.8614
C15—C171.410 (5)O11—H11A0.8697
C15—C141.419 (5)O11—H11B0.8715
C15—C161.438 (5)O12—H12B0.8590
O4—C121.363 (4)O12—H12A0.8555
O4—C91.374 (4)S1—O21.409 (7)
C19—C201.352 (5)S1—O11.437 (7)
C19—H190.9300S1—O31.495 (6)
C16—C201.412 (4)
O9—Cu1—N2167.89 (12)C19—C20—C16122.0 (3)
O9—Cu1—O889.89 (11)C19—C20—H20119.0
O10—Cu1—N1169.52 (13)C16—C20—H20119.0
O10—Cu1—N293.58 (13)C5—C4—C10125.9 (3)
O10—Cu1—O894.79 (12)C5—C4—C3117.1 (3)
O10—Cu1—O990.49 (12)C10—C4—C3116.9 (3)
N1—Cu1—O895.10 (12)C12—C11—C16117.5 (3)
N1—Cu1—O992.97 (11)C12—C11—C10105.3 (3)
N1—Cu1—N281.13 (13)C16—C11—C10137.0 (3)
N2—Cu1—O8101.11 (12)O4—C9—C8122.1 (3)
C21—N1—C25118.2 (3)O4—C9—C10112.1 (3)
C21—N1—Cu1127.0 (2)C8—C9—C10125.8 (4)
C25—N1—Cu1114.8 (2)C9—C10—C4117.3 (3)
C30—N2—C26118.6 (4)C9—C10—C11104.4 (3)
C30—N2—Cu1127.0 (3)C4—C10—C11138.3 (3)
C26—N2—Cu1114.1 (3)C18—C17—C15121.2 (3)
N2—C26—C27121.4 (4)C18—C17—H17119.4
N2—C26—C25114.3 (3)C15—C17—H17119.4
C27—C26—C25124.3 (4)C2—C3—C7120.6 (3)
N1—C25—C24121.5 (4)C2—C3—C4118.6 (3)
N1—C25—C26114.5 (3)C7—C3—C4120.7 (3)
C24—C25—C26123.9 (3)C13—C14—C15121.2 (3)
C22—C23—C24119.6 (4)C13—C14—H14119.4
C22—C23—H23120.2C15—C14—H14119.4
C24—C23—H23120.2C2—C1—C6119.4 (3)
C23—C24—C25119.0 (4)C2—C1—S1121.3 (3)
C23—C24—H24120.5C6—C1—S1119.3 (3)
C25—C24—H24120.5C14—C13—C12116.5 (3)
C23—C22—C21119.1 (4)C14—C13—H13121.7
C23—C22—H22120.5C12—C13—H13121.7
C21—C22—H22120.5O4—C12—C11112.6 (3)
C28—C29—C30119.7 (5)O4—C12—C13121.3 (3)
C28—C29—H29120.1C11—C12—C13126.1 (3)
C30—C29—H29120.1C7—C8—C9116.9 (3)
N2—C30—C29121.6 (5)C7—C8—H8121.6
N2—C30—H30119.2C9—C8—H8121.6
C29—C30—H30119.2C6—C5—C4122.2 (3)
C28—C27—C26119.4 (5)C6—C5—H5118.9
C28—C27—H27120.3C4—C5—H5118.9
C26—C27—H27120.3C5—C6—C1120.3 (4)
N1—C21—C22122.6 (4)C5—C6—H6119.8
N1—C21—H21118.7C1—C6—H6119.8
C22—C21—H21118.7C1—C2—C3122.2 (3)
C29—C28—C27119.1 (4)C1—C2—H2118.9
C29—C28—H28120.4C3—C2—H2118.9
C27—C28—H28120.4C8—C7—C3121.8 (3)
O7—S2—O5113.5 (2)C8—C7—H7119.1
O7—S2—O6112.7 (2)C3—C7—H7119.1
O5—S2—O6111.6 (2)Cu1—O8—H8A113.7
O7—S2—C18107.74 (18)Cu1—O8—H8B92.3
O5—S2—C18105.50 (16)H8A—O8—H8B108.7
O6—S2—C18105.06 (16)Cu1—O9—H9A116.2
C17—C18—C19120.7 (3)Cu1—O9—H9B121.6
C17—C18—S2120.7 (3)H9A—O9—H9B108.8
C19—C18—S2118.6 (3)Cu1—O10—H10A113.5
C17—C15—C14120.3 (3)Cu1—O10—H10B121.4
C17—C15—C16118.3 (3)H10A—O10—H10B107.5
C14—C15—C16121.4 (3)H11A—O11—H11B105.7
C12—O4—C9105.4 (3)H12B—O12—H12A109.5
C20—C19—C18119.9 (3)O2—S1—O1117.5 (5)
C20—C19—H19120.0O2—S1—O3111.9 (4)
C18—C19—H19120.0O1—S1—O3110.4 (4)
C20—C16—C11125.1 (3)O2—S1—C1104.3 (4)
C20—C16—C15117.8 (3)O1—S1—C1107.2 (5)
C11—C16—C15116.9 (3)O3—S1—C1104.4 (3)
O10—Cu1—N1—C21113.0 (7)C20—C16—C11—C12167.9 (3)
O9—Cu1—N1—C213.9 (3)C15—C16—C11—C126.8 (4)
N2—Cu1—N1—C21173.2 (3)C20—C16—C11—C106.5 (6)
O8—Cu1—N1—C2186.3 (3)C15—C16—C11—C10178.8 (4)
O10—Cu1—N1—C2567.2 (7)C12—O4—C9—C8177.0 (3)
O9—Cu1—N1—C25176.3 (2)C12—O4—C9—C101.8 (4)
N2—Cu1—N1—C256.9 (2)O4—C9—C10—C4173.9 (3)
O8—Cu1—N1—C2593.5 (2)C8—C9—C10—C47.4 (6)
O10—Cu1—N2—C305.3 (3)O4—C9—C10—C114.3 (4)
N1—Cu1—N2—C30176.2 (3)C8—C9—C10—C11174.4 (4)
O9—Cu1—N2—C30114.7 (6)C5—C4—C10—C9168.5 (3)
O8—Cu1—N2—C3090.3 (3)C3—C4—C10—C98.2 (5)
O10—Cu1—N2—C26178.9 (3)C5—C4—C10—C118.9 (6)
N1—Cu1—N2—C2610.2 (2)C3—C4—C10—C11174.4 (4)
O9—Cu1—N2—C2671.6 (7)C12—C11—C10—C95.1 (4)
O8—Cu1—N2—C2683.3 (3)C16—C11—C10—C9169.8 (4)
C30—N2—C26—C273.6 (5)C12—C11—C10—C4172.6 (4)
Cu1—N2—C26—C27170.6 (3)C16—C11—C10—C412.6 (7)
C30—N2—C26—C25174.4 (3)C19—C18—C17—C150.7 (5)
Cu1—N2—C26—C2511.4 (4)S2—C18—C17—C15179.0 (3)
C21—N1—C25—C240.4 (5)C14—C15—C17—C18175.1 (3)
Cu1—N1—C25—C24179.4 (3)C16—C15—C17—C182.0 (5)
C21—N1—C25—C26177.3 (3)C5—C4—C3—C24.6 (5)
Cu1—N1—C25—C262.8 (4)C10—C4—C3—C2178.3 (3)
N2—C26—C25—N15.7 (4)C5—C4—C3—C7172.8 (3)
C27—C26—C25—N1176.4 (3)C10—C4—C3—C74.3 (5)
N2—C26—C25—C24171.9 (3)C17—C15—C14—C13174.5 (3)
C27—C26—C25—C246.0 (6)C16—C15—C14—C132.5 (5)
C22—C23—C24—C251.0 (6)C15—C14—C13—C122.4 (5)
N1—C25—C24—C231.4 (6)C9—O4—C12—C111.8 (4)
C26—C25—C24—C23176.1 (4)C9—O4—C12—C13178.9 (3)
C24—C23—C22—C210.4 (6)C16—C11—C12—O4171.7 (3)
C26—N2—C30—C291.2 (6)C10—C11—C12—O44.4 (4)
Cu1—N2—C30—C29172.2 (3)C16—C11—C12—C137.6 (5)
C28—C29—C30—N21.9 (7)C10—C11—C12—C13176.3 (3)
N2—C26—C27—C282.9 (6)C14—C13—C12—O4176.4 (3)
C25—C26—C27—C28174.9 (4)C14—C13—C12—C112.9 (6)
C25—N1—C21—C221.0 (5)O4—C9—C8—C7179.8 (4)
Cu1—N1—C21—C22179.1 (3)C10—C9—C8—C71.6 (6)
C23—C22—C21—N11.4 (6)C10—C4—C5—C6178.3 (3)
C30—C29—C28—C272.6 (7)C3—C4—C5—C64.9 (5)
C26—C27—C28—C290.3 (6)C4—C5—C6—C11.9 (5)
O7—S2—C18—C1726.7 (3)C2—C1—C6—C51.4 (5)
O5—S2—C18—C1794.8 (3)S1—C1—C6—C5179.5 (3)
O6—S2—C18—C17147.1 (3)C6—C1—C2—C31.5 (6)
O7—S2—C18—C19153.6 (3)S1—C1—C2—C3179.6 (3)
O5—S2—C18—C1984.9 (3)C7—C3—C2—C1175.8 (4)
O6—S2—C18—C1933.2 (3)C4—C3—C2—C11.6 (5)
C17—C18—C19—C201.3 (5)C9—C8—C7—C33.0 (6)
S2—C18—C19—C20178.4 (3)C2—C3—C7—C8175.9 (4)
C17—C15—C16—C204.2 (5)C4—C3—C7—C81.5 (6)
C14—C15—C16—C20172.9 (3)C2—C1—S1—O2108.2 (6)
C17—C15—C16—C11179.3 (3)C6—C1—S1—O273.6 (6)
C14—C15—C16—C112.2 (5)C2—C1—S1—O1126.5 (6)
C18—C19—C20—C161.1 (5)C6—C1—S1—O151.7 (6)
C11—C16—C20—C19178.5 (3)C2—C1—S1—O39.4 (5)
C15—C16—C20—C193.8 (5)C6—C1—S1—O3168.8 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O8—H8A···O7i0.861.982.835 (4)177
O8—H8B···O3ii0.851.992.710 (9)141
O9—H9A···O2iii0.861.852.640 (7)152
O9—H9B···O60.861.942.787 (4)172
O10—H10A···O120.861.792.569 (4)149
O10—H10B···O5i0.861.912.758 (4)167
O11—H11A···O2iii0.871.962.745 (11)149
O11—H11B···O60.872.012.838 (5)157
O12—H12A···O5iv0.862.142.896 (5)147
O12—H12B···O110.861.872.702 (5)163
Symmetry codes: (i) x+1, y, z; (ii) x+1, y+1/2, z+1/2; (iii) x+1, y+1, z+1; (iv) x, y+1, z+1.
 

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