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Crystals of the title compound, {[Pb2(C9H4O6)2(H2O)4]·H2O}n, were obtained from an aqueous solution. In the crystal structure, each PbII cation is nine-coordinated by seven O atoms from five carboxyl­ate groups of five 1-carboxy­benzene-3,5-dicarboxyl­ate (TBC) dianions and two water mol­ecules. Pairs of Pb atoms are bridged by two tridentate carboxyl­ate groups of two TBC dianions, yielding centrosymmetric dinuclear complexes. These are connected by TBC dianions, forming a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806034829/fi2007sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806034829/fi2007Isup2.hkl
Contains datablock I

CCDC reference: 624502

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.034
  • wR factor = 0.083
  • Data-to-parameter ratio = 11.4

checkCIF/PLATON results

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Alert level A PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O9
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.01 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 72 O4 -PB1 -C1 -C2 -111.00 4.00 1.554 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 73 O1 -PB1 -C1 -C2 -85.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 74 O2 -PB1 -C1 -C2 104.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 75 O7 -PB1 -C1 -C2 -179.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 76 O3 -PB1 -C1 -C2 -129.00 4.00 1.554 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 77 O1 -PB1 -C1 -C2 -39.00 4.00 2.765 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 78 O5 -PB1 -C1 -C2 50.00 4.00 1.444 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 79 O2 -PB1 -C1 -C2 111.00 4.00 2.665 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 80 O8 -PB1 -C1 -C2 31.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 81 C8 -PB1 -C1 -C2 -119.00 4.00 1.554 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 82 PB1 -PB1 -C1 -C2 -52.00 4.00 2.765 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 85 PB1 -C1 -C2 -C7 116.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 88 PB1 -C1 -C2 -C3 -64.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 109 C3 -C4 -C8 -PB1 -141.00 6.00 1.555 1.555 1.555 1.556 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 110 C5 -C4 -C8 -PB1 38.00 7.00 1.555 1.555 1.555 1.556 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.33 Ratio
Alert level G PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............ 1 Times
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 19 ALERT level C = Check and explain 1 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 16 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Bruker, 2002); software used to prepare material for publication: SHELXL97.

Poly[[tetraaquabis(µ5-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate] top
Crystal data top
[Pb2(C9H4O6)2(H2O)4]·H2OZ = 1
Mr = 910.64F(000) = 416
Triclinic, P1Dx = 2.710 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.4106 (6) ÅCell parameters from 3941 reflections
b = 8.2178 (7) Åθ = 2.1–25.1°
c = 10.1424 (9) ŵ = 15.16 mm1
α = 94.694 (10)°T = 298 K
β = 105.165 (10)°Prism, colourless
γ = 108.024 (9)°0.10 × 0.06 × 0.05 mm
V = 557.91 (10) Å3
Data collection top
Bruker APEX area-detector
diffractometer
1949 independent reflections
Radiation source: fine-focus sealed tube1896 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.030
ω scansθmax = 25.1°, θmin = 2.1°
Absorption correction: numerical
(SADABS; Bruker, 2002)
h = 88
Tmin = 0.344, Tmax = 0.465k = 99
3941 measured reflectionsl = 1212
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.034H-atom parameters constrained
wR(F2) = 0.083 w = 1/[σ2(Fo2) + (0.017P)2 + 3.5615P]
where P = (Fo2 + 2Fc2)/3
S = 1.29(Δ/σ)max < 0.001
1949 reflectionsΔρmax = 1.48 e Å3
171 parametersΔρmin = 1.57 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0066 (8)
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
Pb10.70091 (4)0.45634 (4)0.12785 (3)0.02240 (18)
O10.9834 (9)0.6611 (8)0.0888 (6)0.0265 (14)
O20.6848 (9)0.5816 (9)0.1154 (7)0.0340 (16)
O30.7055 (9)0.4877 (8)0.6098 (6)0.0269 (14)
O40.9609 (9)0.6582 (9)0.7797 (6)0.0314 (15)
O51.4613 (9)1.1493 (8)0.6875 (6)0.0303 (15)
O61.4330 (9)1.1921 (8)0.4689 (6)0.0242 (13)
H61.50241.29240.50620.036*
O70.6194 (13)0.7439 (12)0.1690 (9)0.058 (2)
O80.6499 (12)0.1893 (11)0.0394 (8)0.0492 (19)
O90.00001.00001.00000.149 (10)
C10.8657 (12)0.6497 (11)0.1615 (8)0.0179 (16)
C20.9582 (11)0.7249 (10)0.3147 (8)0.0165 (16)
C30.8724 (12)0.6410 (10)0.4099 (8)0.0156 (16)
H30.75660.54420.37770.019*
C40.9578 (11)0.7005 (10)0.5501 (8)0.0158 (16)
C51.1266 (12)0.8502 (10)0.5991 (9)0.0194 (17)
H51.18550.89040.69400.023*
C61.2063 (11)0.9390 (10)0.5042 (9)0.0181 (17)
C71.1250 (12)0.8734 (10)0.3636 (8)0.0173 (16)
H71.18300.92980.30130.021*
C80.8692 (12)0.6089 (11)0.6529 (9)0.0182 (17)
C91.3794 (11)1.1022 (10)0.5636 (8)0.0164 (16)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.0235 (2)0.0264 (2)0.0104 (2)0.00136 (14)0.00281 (13)0.00240 (13)
O10.027 (3)0.037 (4)0.011 (3)0.004 (3)0.006 (2)0.004 (2)
O20.022 (3)0.048 (4)0.020 (3)0.001 (3)0.002 (3)0.005 (3)
O30.026 (3)0.024 (3)0.017 (3)0.007 (3)0.003 (3)0.005 (2)
O40.030 (3)0.040 (4)0.013 (3)0.003 (3)0.005 (3)0.008 (3)
O50.032 (3)0.029 (3)0.016 (3)0.006 (3)0.003 (3)0.004 (3)
O60.026 (3)0.021 (3)0.018 (3)0.002 (3)0.005 (3)0.005 (2)
O70.061 (5)0.073 (6)0.058 (6)0.035 (5)0.033 (5)0.026 (5)
O80.050 (5)0.054 (5)0.041 (5)0.017 (4)0.010 (4)0.011 (4)
O90.27 (3)0.045 (9)0.102 (15)0.031 (14)0.042 (18)0.020 (9)
C10.017 (4)0.022 (4)0.010 (4)0.005 (3)0.000 (3)0.002 (3)
C20.016 (4)0.022 (4)0.007 (4)0.006 (3)0.002 (3)0.001 (3)
C30.017 (4)0.015 (4)0.011 (4)0.004 (3)0.001 (3)0.001 (3)
C40.017 (4)0.017 (4)0.011 (4)0.003 (3)0.001 (3)0.006 (3)
C50.022 (4)0.018 (4)0.014 (4)0.004 (3)0.000 (3)0.003 (3)
C60.015 (4)0.018 (4)0.019 (4)0.002 (3)0.005 (3)0.003 (3)
C70.022 (4)0.020 (4)0.010 (4)0.006 (3)0.005 (3)0.004 (3)
C80.021 (4)0.020 (4)0.020 (5)0.011 (3)0.011 (3)0.010 (3)
C90.011 (4)0.016 (4)0.015 (4)0.000 (3)0.000 (3)0.002 (3)
Geometric parameters (Å, º) top
Pb1—O4i2.562 (6)O4—Pb1v2.562 (6)
Pb1—O12.617 (6)O5—C91.214 (10)
Pb1—O22.641 (6)O5—Pb1vi2.782 (6)
Pb1—O72.652 (9)O6—C91.326 (10)
Pb1—O3i2.702 (6)O6—H60.8200
Pb1—O1ii2.745 (6)C1—C21.512 (11)
Pb1—O5iii2.782 (6)C2—C71.382 (11)
Pb1—O2iv2.815 (6)C2—C31.404 (12)
Pb1—O82.875 (8)C3—C41.373 (11)
Pb1—C12.965 (8)C3—H30.9300
Pb1—C8i3.002 (8)C4—C51.395 (11)
O1—C11.270 (10)C4—C81.505 (11)
O1—Pb1ii2.745 (6)C5—C61.398 (12)
O2—C11.223 (10)C5—H50.9300
O2—Pb1iv2.815 (6)C6—C71.383 (11)
O3—C81.248 (11)C6—C91.485 (10)
O3—Pb1v2.702 (6)C7—H70.9300
O4—C81.252 (11)C8—Pb1v3.002 (8)
O4i—Pb1—O173.32 (19)O4i—Pb1—Pb1ii68.33 (15)
O4i—Pb1—O2115.5 (2)O1—Pb1—Pb1ii37.47 (14)
O1—Pb1—O249.49 (18)O2—Pb1—Pb1ii79.49 (14)
O4i—Pb1—O769.8 (2)O7—Pb1—Pb1ii114.5 (2)
O1—Pb1—O783.5 (3)O3i—Pb1—Pb1ii108.83 (13)
O2—Pb1—O776.0 (2)O1ii—Pb1—Pb1ii35.45 (12)
O4i—Pb1—O3i48.94 (18)O5iii—Pb1—Pb1ii123.72 (15)
O1—Pb1—O3i122.19 (18)O2iv—Pb1—Pb1ii142.65 (13)
O2—Pb1—O3i150.9 (2)O8—Pb1—Pb1ii76.48 (16)
O7—Pb1—O3i75.2 (2)C1—Pb1—Pb1ii56.96 (15)
O4i—Pb1—O1ii72.2 (2)C8i—Pb1—Pb1ii88.85 (16)
O1—Pb1—O1ii72.9 (2)C1—O1—Pb192.8 (5)
O2—Pb1—O1ii109.43 (19)C1—O1—Pb1ii128.1 (5)
O7—Pb1—O1ii139.6 (2)Pb1—O1—Pb1ii107.1 (2)
O3i—Pb1—O1ii89.96 (19)C1—O2—Pb192.8 (5)
O4i—Pb1—O5iii113.70 (19)C1—O2—Pb1iv151.1 (6)
O1—Pb1—O5iii158.2 (2)Pb1—O2—Pb1iv114.9 (2)
O2—Pb1—O5iii130.57 (19)C8—O3—Pb1v91.3 (5)
O7—Pb1—O5iii118.3 (3)C8—O4—Pb1v97.9 (5)
O3i—Pb1—O5iii68.86 (18)C9—O5—Pb1vi138.3 (5)
O1ii—Pb1—O5iii89.26 (19)C9—O6—H6109.5
O4i—Pb1—O2iv137.2 (2)O2—C1—O1124.1 (8)
O1—Pb1—O2iv113.42 (18)O2—C1—C2118.9 (7)
O2—Pb1—O2iv65.1 (2)O1—C1—C2117.1 (7)
O7—Pb1—O2iv69.3 (2)O2—C1—Pb162.8 (4)
O3i—Pb1—O2iv107.94 (19)O1—C1—Pb161.8 (4)
O1ii—Pb1—O2iv150.5 (2)C2—C1—Pb1171.4 (6)
O5iii—Pb1—O2iv76.27 (19)C7—C2—C3119.1 (7)
O4i—Pb1—O8142.0 (2)C7—C2—C1121.9 (7)
O1—Pb1—O887.6 (2)C3—C2—C1119.0 (7)
O2—Pb1—O869.9 (2)C4—C3—C2120.7 (7)
O7—Pb1—O8141.6 (2)C4—C3—H3119.7
O3i—Pb1—O8138.6 (2)C2—C3—H3119.7
O1ii—Pb1—O870.9 (2)C3—C4—C5120.0 (7)
O5iii—Pb1—O874.4 (2)C3—C4—C8121.0 (7)
O2iv—Pb1—O880.4 (2)C5—C4—C8119.0 (7)
O4i—Pb1—C196.0 (2)C4—C5—C6119.4 (8)
O1—Pb1—C125.3 (2)C4—C5—H5120.3
O2—Pb1—C124.3 (2)C6—C5—H5120.3
O7—Pb1—C180.6 (3)C7—C6—C5120.1 (7)
O3i—Pb1—C1142.6 (2)C7—C6—C9123.5 (7)
O1ii—Pb1—C190.3 (2)C5—C6—C9116.4 (7)
O5iii—Pb1—C1148.5 (2)C2—C7—C6120.6 (7)
O2iv—Pb1—C189.17 (19)C2—C7—H7119.7
O8—Pb1—C175.7 (2)C6—C7—H7119.7
O4i—Pb1—C8i24.4 (2)O3—C8—O4121.8 (8)
O1—Pb1—C8i97.6 (2)O3—C8—C4119.3 (8)
O2—Pb1—C8i135.3 (2)O4—C8—C4118.9 (7)
O7—Pb1—C8i70.0 (2)O3—C8—Pb1v64.1 (5)
O3i—Pb1—C8i24.6 (2)O4—C8—Pb1v57.7 (4)
O1ii—Pb1—C8i80.9 (2)C4—C8—Pb1v175.1 (6)
O5iii—Pb1—C8i91.6 (2)O5—C9—O6123.6 (7)
O2iv—Pb1—C8i124.4 (2)O5—C9—C6122.7 (8)
O8—Pb1—C8i148.4 (2)O6—C9—C6113.7 (7)
C1—Pb1—C8i119.3 (2)
O4i—Pb1—O1—C1152.6 (5)O8—Pb1—C1—O272.7 (5)
O2—Pb1—O1—C14.7 (5)C8i—Pb1—C1—O2137.5 (5)
O7—Pb1—O1—C181.8 (5)Pb1ii—Pb1—C1—O2155.6 (6)
O3i—Pb1—O1—C1149.8 (5)O4i—Pb1—C1—O126.3 (5)
O1ii—Pb1—O1—C1131.4 (6)O2—Pb1—C1—O1171.4 (9)
O5iii—Pb1—O1—C195.0 (7)O7—Pb1—C1—O194.6 (5)
O2iv—Pb1—O1—C117.8 (5)O3i—Pb1—C1—O144.5 (6)
O8—Pb1—O1—C160.7 (5)O1ii—Pb1—C1—O145.8 (5)
C8i—Pb1—O1—C1150.6 (5)O5iii—Pb1—C1—O1134.8 (5)
Pb1ii—Pb1—O1—C1131.4 (6)O2iv—Pb1—C1—O1163.7 (5)
O4i—Pb1—O1—Pb1ii76.0 (2)O8—Pb1—C1—O1115.9 (5)
O2—Pb1—O1—Pb1ii136.1 (3)C8i—Pb1—C1—O133.9 (6)
O7—Pb1—O1—Pb1ii146.8 (3)Pb1ii—Pb1—C1—O133.0 (4)
O3i—Pb1—O1—Pb1ii78.8 (3)O4i—Pb1—C1—C2111 (4)
O1ii—Pb1—O1—Pb1ii0.0O1—Pb1—C1—C285 (4)
O5iii—Pb1—O1—Pb1ii36.4 (6)O2—Pb1—C1—C2104 (4)
O2iv—Pb1—O1—Pb1ii149.2 (2)O7—Pb1—C1—C2179 (4)
O8—Pb1—O1—Pb1ii70.7 (2)O3i—Pb1—C1—C2129 (4)
C1—Pb1—O1—Pb1ii131.4 (6)O1ii—Pb1—C1—C239 (4)
C8i—Pb1—O1—Pb1ii78.0 (2)O5iii—Pb1—C1—C250 (4)
O4i—Pb1—O2—C139.1 (6)O2iv—Pb1—C1—C2111 (4)
O1—Pb1—O2—C14.8 (5)O8—Pb1—C1—C231 (4)
O7—Pb1—O2—C198.2 (6)C8i—Pb1—C1—C2119 (4)
O3i—Pb1—O2—C189.4 (6)Pb1ii—Pb1—C1—C252 (4)
O1ii—Pb1—O2—C139.9 (6)O2—C1—C2—C7144.8 (8)
O5iii—Pb1—O2—C1146.4 (5)O1—C1—C2—C735.6 (11)
O2iv—Pb1—O2—C1171.6 (7)Pb1—C1—C2—C7116 (4)
O8—Pb1—O2—C199.9 (6)O2—C1—C2—C335.4 (11)
C8i—Pb1—O2—C156.9 (6)O1—C1—C2—C3144.2 (8)
Pb1ii—Pb1—O2—C120.6 (5)Pb1—C1—C2—C364 (4)
O4i—Pb1—O2—Pb1iv132.5 (3)C7—C2—C3—C43.0 (12)
O1—Pb1—O2—Pb1iv166.7 (4)C1—C2—C3—C4176.8 (7)
O7—Pb1—O2—Pb1iv73.4 (3)C2—C3—C4—C52.8 (12)
O3i—Pb1—O2—Pb1iv82.2 (4)C2—C3—C4—C8178.6 (7)
O1ii—Pb1—O2—Pb1iv148.6 (2)C3—C4—C5—C60.5 (12)
O5iii—Pb1—O2—Pb1iv42.1 (4)C8—C4—C5—C6178.1 (7)
O2iv—Pb1—O2—Pb1iv0.0C4—C5—C6—C73.6 (12)
O8—Pb1—O2—Pb1iv88.5 (3)C4—C5—C6—C9176.8 (7)
C1—Pb1—O2—Pb1iv171.6 (7)C3—C2—C7—C60.1 (12)
C8i—Pb1—O2—Pb1iv114.7 (3)C1—C2—C7—C6179.9 (7)
Pb1ii—Pb1—O2—Pb1iv167.8 (3)C5—C6—C7—C23.4 (12)
Pb1—O2—C1—O19.2 (9)C9—C6—C7—C2177.0 (7)
Pb1iv—O2—C1—O1154.9 (8)Pb1v—O3—C8—O43.0 (9)
Pb1—O2—C1—C2170.4 (6)Pb1v—O3—C8—C4176.1 (6)
Pb1iv—O2—C1—C225.5 (17)Pb1v—O4—C8—O33.2 (9)
Pb1iv—O2—C1—Pb1164.0 (13)Pb1v—O4—C8—C4175.9 (6)
Pb1—O1—C1—O29.3 (9)C3—C4—C8—O37.0 (12)
Pb1ii—O1—C1—O2123.6 (8)C5—C4—C8—O3171.5 (8)
Pb1—O1—C1—C2170.4 (6)C3—C4—C8—O4173.9 (8)
Pb1ii—O1—C1—C256.0 (9)C5—C4—C8—O47.6 (12)
Pb1ii—O1—C1—Pb1114.4 (6)C3—C4—C8—Pb1v141 (6)
O4i—Pb1—C1—O2145.1 (5)C5—C4—C8—Pb1v38 (7)
O1—Pb1—C1—O2171.4 (9)Pb1vi—O5—C9—O620.8 (13)
O7—Pb1—C1—O276.8 (6)Pb1vi—O5—C9—C6158.1 (6)
O3i—Pb1—C1—O2126.9 (5)C7—C6—C9—O5172.6 (8)
O1ii—Pb1—C1—O2142.8 (5)C5—C6—C9—O57.0 (12)
O5iii—Pb1—C1—O253.8 (7)C7—C6—C9—O68.4 (11)
O2iv—Pb1—C1—O27.6 (6)C5—C6—C9—O6172.0 (7)
Symmetry codes: (i) x, y, z1; (ii) x+2, y+1, z; (iii) x1, y1, z1; (iv) x+1, y+1, z; (v) x, y, z+1; (vi) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O6—H6···O3vii0.821.832.629 (8)164
Symmetry code: (vii) x+1, y+1, z.
 

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