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The title compound, [Sn4(CH3)8(C6H5N2O2)4O2]·6H2O, is a hydrated cluster containing four Sn atoms, built up by inversion symmetry around the central Sn2O2 ring. The Sn-atom coordination geometry might be regarded as very distorted SnO3C2 trigonal–bipyramidal or possibly as grossly distorted SnO3C2N octa­hedral. All the cluster non-H atoms, with the exception of the Sn-bonded methyl groups, lie on a mirror plane. Two of the water-mol­ecule O atoms have m site symmetry; the other occupies a twofold rotation axis.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807013888/cf2092sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807013888/cf2092Isup2.hkl
Contains datablock I

CCDC reference: 647141

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.011 Å
  • R factor = 0.030
  • wR factor = 0.079
  • Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT415_ALERT_2_A Short Inter D-H..H-X H3 .. H4 .. 1.60 Ang.
Author Response: The water molecule H atoms are disordered, as described in the text. This short contact is thus an artefact of the H-atom disorder.
PLAT415_ALERT_2_A Short Inter D-H..H-X       H3     ..  H4      ..       1.60 Ang.
Author Response: The water molecule H atoms are disordered, as described in the text. This short contact is thus an artefact of the H-atom disorder.
PLAT780_ALERT_1_A Coordinates do not Form a Properly Connected Set          ?
Author Response: This seems to be a false alarm or an artefact of the H atom disorder?

Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.89 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C4 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.12 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C6 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C12
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.895 Tmax scaled 0.447 Tmin scaled 0.390
3 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Octamethyl-1κ2C,2κ2C,3κ2C,4κ2C- di-µ2-2-methylpyrazine-5-carboxylato-1:2κ2O:O;3:4κ2O:O-bis(2-methylpyrazine-5-carboxylato)-1κO,4κO-di-µ3-oxido-1:2:3κ3O:O:O;2:3:4κ3O:O:O-tetratin(IV) hexahydrate top
Crystal data top
[Sn4O2(CH3)8(C6H5N2O2)4]·6H2OF(000) = 1264
Mr = 1283.61Dx = 1.768 Mg m3
Monoclinic, C2/mMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yCell parameters from 3146 reflections
a = 23.735 (6) Åθ = 2.5–23.4°
b = 7.543 (2) ŵ = 2.12 mm1
c = 16.468 (4) ÅT = 298 K
β = 125.137 (2)°Block, colourless
V = 2411.1 (11) Å30.47 × 0.43 × 0.38 mm
Z = 2
Data collection top
Bruker SMART 1000 CCD
diffractometer
2541 independent reflections
Radiation source: fine-focus sealed tube1920 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.053
ω scansθmax = 26.0°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Bruker, 1998)
h = 2928
Tmin = 0.436, Tmax = 0.500k = 99
6744 measured reflectionsl = 1720
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)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.079H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0165P)2 + 4.5809P]
where P = (Fo2 + 2Fc2)/3
2541 reflections(Δ/σ)max = 0.001
176 parametersΔρmax = 1.01 e Å3
0 restraintsΔρmin = 0.64 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)
Sn10.44627 (2)0.00000.26534 (3)0.03740 (14)
Sn20.420929 (19)0.00000.47260 (3)0.03460 (14)
O10.3477 (2)0.00000.2413 (3)0.0463 (11)
O20.2334 (2)0.00000.1516 (4)0.082 (2)
O30.4180 (2)0.00000.6105 (3)0.0460 (11)
O40.3688 (3)0.00000.6914 (4)0.082 (2)
O50.47866 (18)0.00000.4088 (3)0.0376 (10)
N10.3466 (2)0.00000.0782 (4)0.0448 (14)
N20.2244 (3)0.00000.1107 (4)0.076 (2)
N30.2938 (3)0.00000.4355 (4)0.0500 (15)
N40.1742 (3)0.00000.4276 (4)0.0670 (19)
C10.2878 (4)0.00000.1589 (5)0.0533 (18)
C20.2855 (3)0.00000.0653 (5)0.0447 (16)
C30.2251 (3)0.00000.0288 (5)0.063 (2)
H3A0.18340.00000.03560.075*
C40.2850 (4)0.00000.0985 (5)0.061 (2)
C50.3455 (4)0.00000.0041 (5)0.063 (2)
H5A0.38720.00000.00270.076*
C60.2847 (4)0.00000.1890 (6)0.099 (4)
H6A0.23790.00000.24680.149*
H6B0.30790.10390.18940.149*
C70.3657 (3)0.00000.6137 (5)0.0488 (17)
C80.2962 (3)0.00000.5181 (4)0.0391 (15)
C90.2357 (3)0.00000.5119 (5)0.058 (2)
H9A0.23870.00000.57070.069*
C100.1715 (3)0.00000.3440 (5)0.0545 (19)
C110.2320 (3)0.00000.3500 (5)0.055 (2)
H11A0.22930.00000.29130.066*
C120.1027 (4)0.00000.2464 (6)0.087 (3)
H12A0.06700.00000.25710.130*
H12B0.09840.10390.20950.130*
C130.4566 (3)0.2666 (7)0.2408 (4)0.0597 (14)
H13A0.41630.33080.22390.090*
H13B0.46180.27520.18730.090*
H13C0.49640.31600.29990.090*
C140.3927 (2)0.2678 (6)0.4373 (4)0.0555 (13)
H14A0.43120.33470.44940.083*
H14B0.37890.31330.47780.083*
H14C0.35500.27770.36850.083*
O60.4854 (3)0.00000.8706 (4)0.095 (2)
H10.44370.00000.80920.114*
H20.49050.08440.91300.114*0.50
O70.0908 (3)0.00000.0081 (4)0.103 (2)
H30.13680.00000.05410.123*
H40.06130.07920.00520.123*0.50
O80.50000.7432 (9)0.00000.099 (2)
H50.49480.82760.04240.119*0.50
H60.52960.66420.00290.119*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0383 (2)0.0389 (3)0.0346 (3)0.0000.0207 (2)0.000
Sn20.0279 (2)0.0357 (3)0.0350 (2)0.0000.01513 (19)0.000
O10.035 (2)0.071 (3)0.033 (2)0.0000.019 (2)0.000
O20.038 (3)0.163 (7)0.044 (3)0.0000.024 (2)0.000
O30.032 (2)0.068 (3)0.031 (2)0.0000.0148 (19)0.000
O40.058 (3)0.155 (6)0.034 (3)0.0000.027 (3)0.000
O50.028 (2)0.048 (3)0.029 (2)0.0000.0121 (18)0.000
N10.033 (3)0.066 (4)0.032 (3)0.0000.017 (2)0.000
N20.047 (4)0.138 (7)0.036 (3)0.0000.019 (3)0.000
N30.034 (3)0.084 (5)0.034 (3)0.0000.021 (3)0.000
N40.039 (3)0.116 (6)0.051 (4)0.0000.029 (3)0.000
C10.044 (4)0.061 (5)0.050 (4)0.0000.024 (4)0.000
C20.032 (3)0.057 (5)0.037 (4)0.0000.015 (3)0.000
C30.039 (4)0.107 (7)0.041 (4)0.0000.023 (3)0.000
C40.051 (4)0.090 (6)0.042 (4)0.0000.027 (4)0.000
C50.056 (5)0.089 (6)0.043 (4)0.0000.028 (4)0.000
C60.069 (6)0.188 (12)0.041 (5)0.0000.032 (5)0.000
C70.046 (4)0.062 (5)0.045 (4)0.0000.030 (3)0.000
C80.041 (3)0.048 (4)0.034 (3)0.0000.024 (3)0.000
C90.049 (4)0.093 (6)0.042 (4)0.0000.033 (4)0.000
C100.040 (4)0.075 (6)0.047 (4)0.0000.024 (3)0.000
C110.043 (4)0.088 (6)0.034 (4)0.0000.023 (3)0.000
C120.040 (4)0.143 (10)0.060 (5)0.0000.019 (4)0.000
C130.062 (3)0.053 (3)0.055 (3)0.002 (3)0.028 (3)0.012 (3)
C140.057 (3)0.045 (3)0.066 (3)0.014 (2)0.037 (3)0.008 (3)
O60.067 (4)0.114 (6)0.064 (4)0.0000.015 (3)0.000
O70.055 (3)0.168 (7)0.076 (4)0.0000.032 (3)0.000
O80.093 (4)0.087 (5)0.089 (4)0.0000.035 (4)0.000
Geometric parameters (Å, º) top
Sn1—O52.020 (4)C2—C31.377 (9)
Sn1—C13i2.093 (5)C3—H3A0.930
Sn1—C132.093 (5)C4—C51.382 (10)
Sn1—O12.136 (4)C4—C61.485 (10)
Sn1—N12.589 (5)C5—H5A0.930
Sn1—O3ii2.642 (4)C6—H6A0.960
Sn2—O5ii2.034 (4)C6—H6B0.960
Sn2—C14i2.102 (5)C7—C81.487 (9)
Sn2—C142.102 (5)C8—C91.379 (8)
Sn2—O52.154 (4)C9—H9A0.930
Sn2—O32.312 (4)C10—C111.381 (9)
Sn2—N32.712 (5)C10—C121.494 (10)
O1—C11.281 (8)C11—H11A0.930
O2—C11.227 (8)C12—H12A0.960
O3—C71.273 (7)C12—H12B0.960
O3—Sn1ii2.642 (4)C13—H13A0.960
O4—C71.239 (8)C13—H13B0.960
O5—Sn2ii2.034 (4)C13—H13C0.960
N1—C21.338 (7)C14—H14A0.960
N1—C51.341 (8)C14—H14B0.960
N2—C41.335 (9)C14—H14C0.960
N2—C31.339 (8)O6—H10.9215
N3—C111.326 (8)O6—H20.8997
N3—C81.328 (7)O7—H30.9008
N4—C91.314 (8)O7—H40.9016
N4—C101.340 (8)O8—H50.8993
C1—C21.511 (9)O8—H60.9013
O5—Sn1—C13i102.58 (15)C2—C1—Sn184.1 (4)
O5—Sn1—C13102.58 (15)N1—C2—C3120.6 (6)
C13i—Sn1—C13147.8 (3)N1—C2—C1115.9 (5)
O5—Sn1—O181.70 (15)C3—C2—C1123.5 (6)
C13i—Sn1—O1101.63 (15)N2—C3—C2122.4 (6)
C13—Sn1—O1101.63 (15)N2—C3—H3A118.8
O5—Sn1—N1149.74 (15)C2—C3—H3A118.8
C13i—Sn1—N184.18 (14)N2—C4—C5120.0 (7)
C13—Sn1—N184.18 (14)N2—C4—C6117.8 (6)
O1—Sn1—N168.04 (16)C5—C4—C6122.1 (7)
O5—Sn1—O3ii67.74 (13)N1—C5—C4122.7 (7)
C13i—Sn1—O3ii85.61 (14)N1—C5—H5A118.6
C13—Sn1—O3ii85.61 (14)C4—C5—H5A118.6
O1—Sn1—O3ii149.44 (14)C4—C6—H6A109.3
N1—Sn1—O3ii142.52 (14)C4—C6—H6B109.5
O5ii—Sn2—C14i106.05 (14)H6A—C6—H6B109.5
O5ii—Sn2—C14106.05 (14)O4—C7—O3124.2 (6)
C14i—Sn2—C14147.9 (3)O4—C7—C8117.7 (5)
O5ii—Sn2—O575.26 (17)O3—C7—C8118.1 (6)
C14i—Sn2—O593.22 (14)O4—C7—Sn2158.0 (5)
C14—Sn2—O593.22 (14)C8—C7—Sn284.3 (3)
O5ii—Sn2—O374.80 (14)N3—C8—C9119.7 (6)
C14i—Sn2—O394.97 (14)N3—C8—C7116.9 (5)
C14—Sn2—O394.97 (14)C9—C8—C7123.4 (6)
O5—Sn2—O3150.06 (14)N4—C9—C8123.6 (6)
O5ii—Sn2—N3138.86 (15)N4—C9—H9A118.2
C14i—Sn2—N378.55 (13)C8—C9—H9A118.2
C14—Sn2—N378.55 (13)N4—C10—C11119.5 (6)
O5—Sn2—N3145.88 (15)N4—C10—C12118.8 (6)
O3—Sn2—N364.06 (14)C11—C10—C12121.7 (7)
C1—O1—Sn1128.7 (4)N3—C11—C10123.0 (6)
C1—O1—Sn2141.7 (4)N3—C11—H11A118.5
Sn1—O1—Sn289.60 (13)C10—C11—H11A118.5
C7—O3—Sn2128.5 (4)C10—C12—H12A109.6
C7—O3—Sn1ii138.8 (4)C10—C12—H12B109.4
Sn2—O3—Sn1ii92.71 (13)H12A—C12—H12B109.5
Sn1—O5—Sn2ii124.74 (18)Sn1—C13—H13A109.5
Sn1—O5—Sn2130.52 (18)Sn1—C13—H13B109.5
Sn2ii—O5—Sn2104.74 (17)H13A—C13—H13B109.5
C2—N1—C5116.8 (6)Sn1—C13—H13C109.5
C2—N1—Sn1110.8 (4)H13A—C13—H13C109.5
C5—N1—Sn1132.5 (4)H13B—C13—H13C109.5
C4—N2—C3117.4 (6)Sn2—C14—H14A109.5
C11—N3—C8117.1 (5)Sn2—C14—H14B109.5
C11—N3—Sn2130.3 (4)H14A—C14—H14B109.5
C8—N3—Sn2112.6 (4)Sn2—C14—H14C109.5
C9—N4—C10116.9 (6)H14A—C14—H14C109.5
O2—C1—O1124.6 (7)H14B—C14—H14C109.5
O2—C1—C2118.8 (6)H1—O6—H2115.6
O1—C1—C2116.6 (6)H3—O7—H4125.0
O2—C1—Sn1157.1 (5)H5—O8—H6105.3
O5—Sn1—O1—C1180.0O5—Sn1—C1—O20.0
C13i—Sn1—O1—C178.78 (15)C13i—Sn1—C1—O2104.33 (15)
C13—Sn1—O1—C178.78 (15)C13—Sn1—C1—O2104.33 (15)
N1—Sn1—O1—C10.0O1—Sn1—C1—O20.0
O3ii—Sn1—O1—C1180.0N1—Sn1—C1—O2180.000 (1)
O5—Sn1—O1—Sn20.0O3ii—Sn1—C1—O20.000 (2)
C13i—Sn1—O1—Sn2101.22 (15)O5—Sn1—C1—O10.0
C13—Sn1—O1—Sn2101.22 (15)C13i—Sn1—C1—O1104.33 (15)
N1—Sn1—O1—Sn2180.0C13—Sn1—C1—O1104.33 (15)
O3ii—Sn1—O1—Sn20.0N1—Sn1—C1—O1180.000 (1)
O5ii—Sn2—O1—C1180.0O3ii—Sn1—C1—O10.0
C14i—Sn2—O1—C178.78 (14)O5—Sn1—C1—C2180.0
C14—Sn2—O1—C178.78 (14)C13i—Sn1—C1—C275.67 (15)
O5—Sn2—O1—C1180.0C13—Sn1—C1—C275.67 (15)
O3—Sn2—O1—C10.0O1—Sn1—C1—C2180.0
N3—Sn2—O1—C10.0N1—Sn1—C1—C20.0
O5ii—Sn2—O1—Sn10.0O3ii—Sn1—C1—C2180.0
C14i—Sn2—O1—Sn1101.22 (14)C5—N1—C2—C30.0
C14—Sn2—O1—Sn1101.22 (14)Sn1—N1—C2—C3180.0
O5—Sn2—O1—Sn10.0C5—N1—C2—C1180.0
O3—Sn2—O1—Sn1180.0Sn1—N1—C2—C10.0
N3—Sn2—O1—Sn1180.0O2—C1—C2—N1180.0
O5ii—Sn2—O3—C7180.000 (3)O1—C1—C2—N10.0
C14i—Sn2—O3—C774.70 (14)Sn1—C1—C2—N10.0
C14—Sn2—O3—C774.70 (14)O2—C1—C2—C30.0
O5—Sn2—O3—C7180.000 (3)O1—C1—C2—C3180.0
N3—Sn2—O3—C70.000 (2)Sn1—C1—C2—C3180.0
O5ii—Sn2—O3—Sn1ii0.0C4—N2—C3—C20.0
C14i—Sn2—O3—Sn1ii105.30 (14)N1—C2—C3—N20.0
C14—Sn2—O3—Sn1ii105.30 (14)C1—C2—C3—N2180.0
O5—Sn2—O3—Sn1ii0.0C3—N2—C4—C50.0
N3—Sn2—O3—Sn1ii180.0C3—N2—C4—C6180.0
C13i—Sn1—O5—Sn2ii79.86 (15)C2—N1—C5—C40.0
C13—Sn1—O5—Sn2ii79.86 (15)Sn1—N1—C5—C4180.0
O1—Sn1—O5—Sn2ii180.0N2—C4—C5—N10.0
N1—Sn1—O5—Sn2ii180.0C6—C4—C5—N1180.0
O3ii—Sn1—O5—Sn2ii0.0Sn2—O3—C7—O4180.000 (2)
C13i—Sn1—O5—Sn2100.14 (15)Sn1ii—O3—C7—O40.000 (3)
C13—Sn1—O5—Sn2100.14 (15)Sn2—O3—C7—C80.000 (2)
O1—Sn1—O5—Sn20.0Sn1ii—O3—C7—C8180.000 (2)
N1—Sn1—O5—Sn20.0Sn1ii—O3—C7—Sn2180.000 (5)
O3ii—Sn1—O5—Sn2180.0O5ii—Sn2—C7—O40.000 (4)
O5ii—Sn2—O5—Sn1180.0C14i—Sn2—C7—O4106.07 (14)
C14i—Sn2—O5—Sn174.25 (14)C14—Sn2—C7—O4106.07 (14)
C14—Sn2—O5—Sn174.25 (14)O5—Sn2—C7—O40.000 (5)
O3—Sn2—O5—Sn1180.0O3—Sn2—C7—O40.000 (4)
N3—Sn2—O5—Sn10.0N3—Sn2—C7—O4180.000 (5)
O5ii—Sn2—O5—Sn2ii0.0O5ii—Sn2—C7—O30.000 (2)
C14i—Sn2—O5—Sn2ii105.75 (14)C14i—Sn2—C7—O3106.07 (14)
C14—Sn2—O5—Sn2ii105.75 (14)C14—Sn2—C7—O3106.07 (14)
O3—Sn2—O5—Sn2ii0.0O5—Sn2—C7—O30.000 (3)
N3—Sn2—O5—Sn2ii180.0N3—Sn2—C7—O3180.000 (1)
O5—Sn1—N1—C20.0O5ii—Sn2—C7—C8180.000 (1)
C13i—Sn1—N1—C2105.04 (15)C14i—Sn2—C7—C873.93 (14)
C13—Sn1—N1—C2105.04 (15)C14—Sn2—C7—C873.93 (14)
O1—Sn1—N1—C20.0O5—Sn2—C7—C8180.000 (2)
O3ii—Sn1—N1—C2180.0O3—Sn2—C7—C8180.000 (3)
O5—Sn1—N1—C5180.0N3—Sn2—C7—C80.000 (1)
C13i—Sn1—N1—C574.96 (15)C11—N3—C8—C90.000 (2)
C13—Sn1—N1—C574.96 (15)Sn2—N3—C8—C9180.000 (2)
O1—Sn1—N1—C5180.0C11—N3—C8—C7180.000 (2)
O3ii—Sn1—N1—C50.0Sn2—N3—C8—C70.000 (1)
O5ii—Sn2—N3—C11180.000 (1)O4—C7—C8—N3180.000 (1)
C14i—Sn2—N3—C1178.65 (15)O3—C7—C8—N30.000 (2)
C14—Sn2—N3—C1178.65 (15)Sn2—C7—C8—N30.0
O5—Sn2—N3—C110.0O4—C7—C8—C90.000 (2)
O3—Sn2—N3—C11180.000 (2)O3—C7—C8—C9180.000 (3)
O5ii—Sn2—N3—C80.0Sn2—C7—C8—C9180.000 (2)
C14i—Sn2—N3—C8101.35 (15)C10—N4—C9—C80.000 (2)
C14—Sn2—N3—C8101.35 (15)N3—C8—C9—N40.000 (1)
O5—Sn2—N3—C8180.000 (2)C7—C8—C9—N4180.000 (2)
O3—Sn2—N3—C80.0C9—N4—C10—C110.000 (1)
Sn1—O1—C1—O2180.0C9—N4—C10—C12180.000 (2)
Sn2—O1—C1—O20.000 (1)C8—N3—C11—C100.000 (1)
Sn1—O1—C1—C20.0Sn2—N3—C11—C10180.0
Sn2—O1—C1—C2180.0N4—C10—C11—N30.000 (1)
Sn2—O1—C1—Sn1180.000 (2)C12—C10—C11—N3180.0
Symmetry codes: (i) x, y, z; (ii) x+1, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O6—H1···O40.921.722.638 (8)177
O6—H2···O8iii0.901.852.750 (6)179
O7—H3···O20.901.902.798 (7)180
O7—H4···O8iv0.901.872.774 (6)180
O8—H5···O6v0.901.852.750 (6)179
O8—H6···O7vi0.901.872.774 (6)180
Symmetry codes: (iii) x, y1, z+1; (iv) x+1/2, y+1/2, z; (v) x, y+1, z1; (vi) x+1/2, y+1/2, z.
 

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