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Colourless crystals of polymeric diaqua­tetrakis(μ-1,2-benzene­dicarboxyl­ato)di-μ-nitrato-pentastrontium(II), [Sr5(C8H4O4)4(NO3)2(H2O)2]n, crystallized at the phase boundary of an aqueous silica gel containing sodium phthalate (1,2-benzene­dicarboxyl­ate) and an aqueous solution of Sr(NO3)2. Three crystallographically distinct SrII ions, one located on a centre of symmetry, are connected by two crystallographically distinct phthalate anions, one nitrate anion and a water molecule, to form a layered coordination polymer. These layers, perpendicular to [001], are held together by weak interatomic forces, as no interlayer hydrogen bonds were found.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804032805/nc6011sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804032805/nc6011Isup2.hkl
Contains datablock I

CCDC reference: 262269

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.034
  • wR factor = 0.091
  • Data-to-parameter ratio = 17.1

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O12 - H121 ... ?
Alert level C PLAT199_ALERT_1_C Check the Reported cell_measurement_temperature 293 PLAT200_ALERT_1_C Check the Reported cell_ambient_temperature .... 293 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O10 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.13 Ratio
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 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 0 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: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97.

diaquatetrakis(µ-1,2-benzenedicarboxylato)di-µ-nitrato-pentastrontium(II) top
Crystal data top
[Sr5(C8H4O4)4(NO3)2(H2O)2]Z = 1
Mr = 1254.60F(000) = 608
Triclinic, P1Dx = 2.289 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.0624 (11) ÅCell parameters from 9407 reflections
b = 10.3895 (16) Åθ = 1.1–29.8°
c = 12.7945 (19) ŵ = 7.39 mm1
α = 91.557 (12)°T = 293 K
β = 91.519 (12)°Trigonal plate, colourless
γ = 104.011 (12)°0.2 × 0.2 × 0.05 mm
V = 910.0 (2) Å3
Data collection top
Stoe IPDSII
diffractometer
5061 independent reflections
Radiation source: fine-focus sealed tube3779 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.050
Detector resolution: not measured pixels mm-1θmax = 29.7°, θmin = 1.6°
ω and φ scansh = 99
Absorption correction: numerical
[X-RED (Stoe & Cie, 2001), after optimizing the crystal shape using X-SHAPE (Stoe & Cie, 1999)]
k = 1414
Tmin = 0.253, Tmax = 0.696l = 1716
13318 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.034H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.091 w = 1/[σ2(Fo2) + (0.0486P)2 + 0.2372P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.001
5061 reflectionsΔρmax = 0.86 e Å3
296 parametersΔρmin = 0.88 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0106 (9)
Special details top

Experimental. A suitable single-crystal was carefully selected under a polarizing microscope and mounted in a glass capillary. The scattering intensities were collected on an imaging plate diffractometer (IPDS II, Stoe & Cie) equipped with a fine focus sealed tube X-ray source (Mo Kα, λ = 0.71073 Å) operating at 50 kV and 40 mA. Intensity data for the title compound were collected at room temperature by ω-scans in 134 frames (0 < ω < 180°; φ = O°, 0 < ω < 88°; φ = 90°, Δω = 2°, exposure time of 7 min) in the 2 Θ range 2.2 to 59.5°. Structure solution and refinement were carried out using the programs SIR92 (Altomare et al., 1993) and SHELXL97 (Sheldrick, 1997). The H atom positions of the phthalate anions were calculated and refined riding with fixed C—H distances (0.93 Å) and a common cariable for the isotropic thermal parameters (Uiso = 0.03643). The H atoms of the water molecule were located from difference Fourier maps at the end of the refinement and refined isotropically without constraints. A numerical absorption correction (X-RED (Stoe & Cie, 2001)) was applied after optimization of the crystal shape (X-SHAPE (Stoe & Cie, 1999)). The last cycles of refinement included atomic positions for all atoms, anisotropic parameters for all non-hydrogen atoms, two isotropic thermal parameters for the water hydrogen atoms and one for the H atoms of the phthalate anions. The final difference maps were free of any chemically significant features. The refinement was based on F2 for ALL reflections.

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
Sr10.00000.00000.00000.01764 (11)
Sr20.43677 (5)0.79803 (3)0.05629 (3)0.01822 (10)
Sr30.12971 (5)0.37527 (3)0.11050 (3)0.01873 (10)
C10.4456 (6)0.1188 (4)0.2664 (3)0.0192 (7)
C20.3653 (6)0.1447 (4)0.3604 (3)0.0252 (8)
H20.23660.15180.36110.036 (5)*
C30.4757 (7)0.1602 (5)0.4532 (3)0.0298 (9)
H30.42200.17900.51570.036 (5)*
C40.6662 (7)0.1473 (5)0.4523 (3)0.0310 (9)
H40.73970.15640.51460.036 (5)*
C50.7484 (6)0.1210 (4)0.3594 (3)0.0260 (8)
H50.87600.11160.35980.036 (5)*
C60.6399 (5)0.1086 (4)0.2655 (3)0.0186 (7)
C70.3250 (5)0.1028 (3)0.1669 (3)0.0164 (6)
C80.7344 (5)0.0862 (4)0.1658 (3)0.0175 (7)
O10.3790 (4)0.0476 (3)0.0865 (2)0.0188 (5)
O20.1726 (4)0.1448 (3)0.1653 (2)0.0231 (6)
O30.8003 (4)0.1834 (3)0.1084 (2)0.0224 (6)
O40.7486 (4)0.0298 (3)0.1439 (2)0.0235 (6)
C90.7258 (5)0.5326 (4)0.2144 (3)0.0195 (7)
C100.6587 (6)0.4708 (4)0.3056 (3)0.0276 (8)
H100.57270.38730.30150.036 (5)*
C110.7181 (7)0.5317 (5)0.4036 (3)0.0319 (9)
H110.67370.48850.46430.036 (5)*
C120.8439 (7)0.6570 (5)0.4099 (4)0.0330 (10)
H120.88410.69820.47490.036 (5)*
C130.9101 (6)0.7215 (4)0.3189 (3)0.0275 (9)
H130.99360.80590.32350.036 (5)*
C140.8523 (5)0.6606 (4)0.2213 (3)0.0193 (7)
C150.9133 (6)0.7382 (4)0.1261 (3)0.0187 (7)
C160.6759 (5)0.4533 (4)0.1118 (3)0.0188 (7)
O50.7838 (4)0.7363 (3)0.0544 (2)0.0229 (6)
O61.0854 (4)0.8058 (3)0.1197 (3)0.0282 (6)
O70.5075 (4)0.3820 (3)0.0962 (2)0.0244 (6)
O80.8132 (4)0.4587 (3)0.0483 (2)0.0217 (5)
N10.3528 (5)0.6734 (4)0.2724 (3)0.0255 (7)
O90.3023 (6)0.6224 (4)0.3563 (3)0.0399 (8)
O100.4413 (6)0.7908 (3)0.2675 (3)0.0400 (8)
O110.3131 (5)0.6055 (3)0.1865 (2)0.0277 (6)
O120.0735 (6)0.3775 (4)0.3080 (3)0.0384 (8)
H1210.047 (12)0.350 (8)0.330 (6)0.08 (3)*
H1220.136 (9)0.462 (7)0.326 (5)0.048 (17)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sr10.0155 (2)0.0179 (2)0.0193 (2)0.00365 (17)0.00049 (17)0.00060 (17)
Sr20.01715 (17)0.01714 (16)0.02056 (17)0.00434 (12)0.00148 (12)0.00144 (12)
Sr30.01910 (17)0.01646 (16)0.02092 (17)0.00508 (12)0.00098 (13)0.00113 (13)
C10.0229 (18)0.0188 (17)0.0171 (16)0.0076 (14)0.0008 (14)0.0027 (13)
C20.0232 (19)0.033 (2)0.0213 (18)0.0099 (17)0.0059 (15)0.0011 (16)
C30.034 (2)0.036 (2)0.0190 (18)0.0091 (19)0.0035 (16)0.0062 (17)
C40.033 (2)0.039 (2)0.0191 (18)0.0059 (19)0.0041 (16)0.0022 (17)
C50.0221 (19)0.028 (2)0.028 (2)0.0070 (16)0.0047 (16)0.0021 (16)
C60.0215 (18)0.0156 (16)0.0178 (16)0.0029 (13)0.0009 (14)0.0013 (13)
C70.0158 (16)0.0128 (15)0.0201 (16)0.0024 (12)0.0017 (13)0.0033 (13)
C80.0150 (16)0.0172 (16)0.0196 (17)0.0029 (13)0.0034 (13)0.0007 (13)
O10.0178 (12)0.0195 (12)0.0193 (12)0.0052 (10)0.0007 (10)0.0028 (10)
O20.0208 (13)0.0245 (14)0.0263 (14)0.0103 (11)0.0015 (11)0.0011 (11)
O30.0167 (13)0.0223 (13)0.0271 (14)0.0023 (10)0.0004 (11)0.0047 (11)
O40.0243 (14)0.0190 (13)0.0274 (14)0.0059 (11)0.0037 (11)0.0046 (11)
C90.0155 (16)0.0228 (17)0.0205 (17)0.0051 (14)0.0008 (13)0.0006 (14)
C100.029 (2)0.026 (2)0.026 (2)0.0032 (17)0.0045 (16)0.0027 (16)
C110.041 (3)0.033 (2)0.023 (2)0.0089 (19)0.0070 (18)0.0073 (17)
C120.037 (2)0.038 (2)0.022 (2)0.007 (2)0.0016 (18)0.0031 (18)
C130.029 (2)0.0247 (19)0.025 (2)0.0009 (16)0.0041 (16)0.0035 (16)
C140.0201 (17)0.0192 (17)0.0198 (17)0.0076 (14)0.0001 (14)0.0015 (14)
C150.0221 (18)0.0144 (16)0.0206 (17)0.0069 (14)0.0008 (14)0.0031 (13)
C160.0164 (17)0.0191 (17)0.0217 (17)0.0059 (14)0.0000 (13)0.0008 (14)
O50.0290 (15)0.0209 (13)0.0203 (13)0.0100 (11)0.0047 (11)0.0021 (11)
O60.0209 (14)0.0267 (15)0.0362 (17)0.0031 (12)0.0059 (12)0.0081 (13)
O70.0192 (13)0.0222 (13)0.0302 (15)0.0026 (11)0.0008 (11)0.0047 (11)
O80.0224 (14)0.0189 (13)0.0243 (13)0.0052 (11)0.0062 (11)0.0016 (11)
N10.0249 (17)0.0282 (17)0.0229 (16)0.0060 (14)0.0009 (13)0.0019 (14)
O90.055 (2)0.0395 (19)0.0214 (15)0.0026 (16)0.0037 (15)0.0024 (14)
O100.054 (2)0.0239 (16)0.0327 (18)0.0093 (15)0.0012 (16)0.0018 (13)
O110.0377 (17)0.0231 (14)0.0215 (14)0.0068 (12)0.0002 (12)0.0050 (11)
O120.044 (2)0.0310 (18)0.0370 (19)0.0022 (16)0.0089 (16)0.0013 (15)
Geometric parameters (Å, º) top
Sr1—O4i2.564 (3)C2—C31.386 (6)
Sr1—O4ii2.564 (3)C2—H20.9300
Sr1—O2iii2.650 (3)C3—C41.384 (6)
Sr1—O22.650 (3)C3—H30.9300
Sr1—O6iv2.736 (3)C4—C51.385 (6)
Sr1—O6v2.736 (3)C4—H40.9300
Sr1—O1iii2.794 (3)C5—C61.394 (5)
Sr1—O12.794 (3)C5—H50.9300
Sr1—O5iv2.908 (3)C6—C81.493 (5)
Sr1—O5v2.908 (3)C7—O21.255 (4)
Sr1—O3ii2.967 (3)C7—O11.275 (4)
Sr1—O3i2.967 (3)C8—O41.258 (4)
Sr2—O1v2.622 (3)C8—O31.268 (5)
Sr2—O112.637 (3)C9—C101.387 (6)
Sr2—O6i2.650 (3)C9—C141.411 (5)
Sr2—O4vi2.676 (3)C9—C161.517 (5)
Sr2—O52.680 (3)C10—C111.396 (6)
Sr2—O3v2.697 (3)C10—H100.9300
Sr2—O102.705 (4)C11—C121.386 (7)
Sr2—O1vi2.740 (3)C11—H110.9300
Sr2—O7v2.768 (3)C12—C131.394 (6)
Sr2—O8v3.070 (3)C12—H120.9300
Sr3—O5v2.539 (3)C13—C141.389 (5)
Sr3—O122.568 (4)C13—H130.9300
Sr3—O112.579 (3)C14—C151.494 (5)
Sr3—O22.598 (3)C15—O61.253 (5)
Sr3—O72.663 (3)C15—O51.275 (4)
Sr3—O3i2.671 (3)C16—O71.247 (5)
Sr3—O8v2.677 (3)C16—O81.272 (5)
Sr3—O8i2.695 (3)N1—O101.232 (5)
Sr3—Sr2vii4.4331 (9)N1—O91.233 (5)
Sr3—Sr2v4.4696 (8)N1—O111.277 (4)
C1—C21.390 (5)O12—H1210.88 (8)
C1—C61.402 (5)O12—H1220.90 (7)
C1—C71.496 (5)
O4i—Sr1—O4ii180.00 (13)O6i—Sr2—O7v122.43 (9)
O4i—Sr1—O2iii106.96 (9)O4vi—Sr2—O7v118.96 (8)
O4ii—Sr1—O2iii73.04 (9)O5—Sr2—O7v62.07 (8)
O4i—Sr1—O273.04 (9)O3v—Sr2—O7v73.22 (8)
O4ii—Sr1—O2106.96 (9)O10—Sr2—O7v131.82 (10)
O2iii—Sr1—O2180.00 (8)O1vi—Sr2—O7v143.11 (8)
O4i—Sr1—O6iv75.93 (9)O1v—Sr2—O8v109.72 (8)
O4ii—Sr1—O6iv104.07 (9)O11—Sr2—O8v65.75 (8)
O2iii—Sr1—O6iv100.20 (9)O6i—Sr2—O8v79.21 (9)
O2—Sr1—O6iv79.80 (9)O4vi—Sr2—O8v159.55 (8)
O4i—Sr1—O6v104.07 (9)O5—Sr2—O8v98.48 (8)
O4ii—Sr1—O6v75.93 (9)O3v—Sr2—O8v61.43 (8)
O2iii—Sr1—O6v79.80 (9)O10—Sr2—O8v112.40 (9)
O2—Sr1—O6v100.20 (9)O1vi—Sr2—O8v133.07 (7)
O6iv—Sr1—O6v180.00 (12)O7v—Sr2—O8v44.36 (8)
O4i—Sr1—O1iii69.16 (8)O5v—Sr3—O12150.90 (10)
O4ii—Sr1—O1iii110.84 (8)O5v—Sr3—O11125.46 (10)
O2iii—Sr1—O1iii47.85 (8)O12—Sr3—O1172.62 (11)
O2—Sr1—O1iii132.15 (8)O5v—Sr3—O274.06 (9)
O6iv—Sr1—O1iii116.90 (8)O12—Sr3—O276.89 (11)
O6v—Sr1—O1iii63.10 (8)O11—Sr3—O2127.66 (9)
O4i—Sr1—O1110.84 (8)O5v—Sr3—O765.33 (9)
O4ii—Sr1—O169.16 (8)O12—Sr3—O7104.51 (11)
O2iii—Sr1—O1132.15 (8)O11—Sr3—O774.59 (9)
O2—Sr1—O147.85 (8)O2—Sr3—O773.25 (9)
O6iv—Sr1—O163.10 (8)O5v—Sr3—O3i87.10 (9)
O6v—Sr1—O1116.90 (8)O12—Sr3—O3i82.26 (11)
O1iii—Sr1—O1180.00 (15)O11—Sr3—O3i146.13 (10)
O4i—Sr1—O5iv59.38 (8)O2—Sr3—O3i65.05 (8)
O4ii—Sr1—O5iv120.62 (8)O7—Sr3—O3i135.03 (9)
O2iii—Sr1—O5iv67.46 (8)O5v—Sr3—O8v68.56 (9)
O2—Sr1—O5iv112.54 (8)O12—Sr3—O8v139.88 (10)
O6iv—Sr1—O5iv45.97 (8)O11—Sr3—O8v72.78 (9)
O6v—Sr1—O5iv134.03 (8)O2—Sr3—O8v142.02 (9)
O1iii—Sr1—O5iv71.00 (8)O7—Sr3—O8v85.14 (9)
O1—Sr1—O5iv109.00 (8)O3i—Sr3—O8v118.30 (8)
O4i—Sr1—O5v120.62 (8)O5v—Sr3—O8i102.96 (8)
O4ii—Sr1—O5v59.38 (8)O12—Sr3—O8i97.67 (11)
O2iii—Sr1—O5v112.54 (8)O11—Sr3—O8i93.78 (9)
O2—Sr1—O5v67.46 (8)O2—Sr3—O8i132.07 (9)
O6iv—Sr1—O5v134.03 (8)O7—Sr3—O8i150.22 (9)
O6v—Sr1—O5v45.97 (8)O3i—Sr3—O8i67.02 (8)
O1iii—Sr1—O5v109.00 (8)O8v—Sr3—O8i65.14 (10)
O1—Sr1—O5v71.00 (8)C2—C1—C6119.7 (3)
O5iv—Sr1—O5v180.00 (10)C2—C1—C7119.9 (3)
O4i—Sr1—O3ii133.44 (8)C6—C1—C7120.4 (3)
O4ii—Sr1—O3ii46.56 (8)C3—C2—C1120.5 (4)
O2iii—Sr1—O3ii60.28 (8)C3—C2—H2119.7
O2—Sr1—O3ii119.72 (8)C1—C2—H2119.7
O6iv—Sr1—O3ii64.41 (9)C4—C3—C2119.7 (4)
O6v—Sr1—O3ii115.59 (9)C4—C3—H3120.2
O1iii—Sr1—O3ii107.52 (8)C2—C3—H3120.2
O1—Sr1—O3ii72.48 (8)C3—C4—C5120.6 (4)
O5iv—Sr1—O3ii75.34 (8)C3—C4—H4119.7
O5v—Sr1—O3ii104.66 (8)C5—C4—H4119.7
O4i—Sr1—O3i46.56 (8)C4—C5—C6120.0 (4)
O4ii—Sr1—O3i133.44 (8)C4—C5—H5120.0
O2iii—Sr1—O3i119.72 (8)C6—C5—H5120.0
O2—Sr1—O3i60.28 (8)C5—C6—C1119.5 (4)
O6iv—Sr1—O3i115.59 (9)C5—C6—C8119.1 (3)
O6v—Sr1—O3i64.41 (9)C1—C6—C8121.4 (3)
O1iii—Sr1—O3i72.48 (8)O2—C7—O1121.9 (3)
O1—Sr1—O3i107.52 (8)O2—C7—C1118.5 (3)
O5iv—Sr1—O3i104.66 (8)O1—C7—C1119.6 (3)
O5v—Sr1—O3i75.34 (8)O4—C8—O3122.8 (4)
O3ii—Sr1—O3i180.00 (13)O4—C8—C6117.6 (3)
O1v—Sr2—O11165.36 (9)O3—C8—C6119.6 (3)
O1v—Sr2—O6i123.38 (9)C10—C9—C14119.0 (4)
O11—Sr2—O6i70.42 (9)C10—C9—C16118.0 (4)
O1v—Sr2—O4vi70.20 (9)C14—C9—C16122.7 (3)
O11—Sr2—O4vi108.88 (9)C9—C10—C11121.2 (4)
O6i—Sr2—O4vi118.61 (9)C9—C10—H10119.4
O1v—Sr2—O577.31 (8)C11—C10—H10119.4
O11—Sr2—O589.41 (9)C12—C11—C10119.5 (4)
O6i—Sr2—O5158.91 (9)C12—C11—H11120.3
O4vi—Sr2—O561.22 (8)C10—C11—H11120.3
O1v—Sr2—O3v67.89 (8)C11—C12—C13120.2 (4)
O11—Sr2—O3v117.67 (9)C11—C12—H12119.9
O6i—Sr2—O3v69.45 (9)C13—C12—H12119.9
O4vi—Sr2—O3v131.82 (8)C14—C13—C12120.4 (4)
O5—Sr2—O3v128.02 (9)C14—C13—H13119.8
O1v—Sr2—O10137.35 (9)C12—C13—H13119.8
O11—Sr2—O1047.32 (9)C13—C14—C9119.8 (4)
O6i—Sr2—O1071.85 (11)C13—C14—C15118.4 (4)
O4vi—Sr2—O1068.07 (10)C9—C14—C15121.6 (3)
O5—Sr2—O1090.13 (11)O6—C15—O5121.9 (4)
O3v—Sr2—O10141.28 (11)O6—C15—C14120.3 (3)
O1v—Sr2—O1vi70.99 (9)O5—C15—C14117.8 (3)
O11—Sr2—O1vi122.73 (9)O7—C16—O8123.7 (4)
O6i—Sr2—O1vi64.92 (9)O7—C16—C9118.9 (3)
O4vi—Sr2—O1vi67.04 (8)O8—C16—C9117.3 (3)
O5—Sr2—O1vi125.78 (8)O10—N1—O9122.0 (4)
O3v—Sr2—O1vi77.65 (8)O10—N1—O11117.4 (4)
O10—Sr2—O1vi84.98 (9)O9—N1—O11120.6 (4)
O1v—Sr2—O7v77.31 (9)H121—O12—H122116 (7)
O11—Sr2—O7v91.12 (9)
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z; (iii) x, y, z; (iv) x1, y1, z; (v) x+1, y+1, z; (vi) x, y+1, z; (vii) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O12—H122···O90.90 (7)1.82 (7)2.710 (5)169 (6)
 

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