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The reaction of 2-morpholinoethyl­amine and cyclo­butane-1,1-dicarboxylic acid with potassium tetra­chloro­platinate(II) produced the monomeric title complex, [Pt(C6H6O4)(C6H14N2O)]·3H2O. The PtII ion is tetra­coordinated and situated in a square-planar environment.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806052329/er2022sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806052329/er2022Isup2.hkl
Contains datablock I

CCDC reference: 633683

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.005 Å
  • Disorder in main residue
  • R factor = 0.015
  • wR factor = 0.034
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H6B .. H8D .. 2.09 Ang.
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.203 0.346 Tmin and Tmax expected: 0.170 0.347 RR = 1.201 Please check that your absorption correction is appropriate. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.20 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C4 PLAT301_ALERT_3_C Main Residue Disorder ......................... 5.00 Perc. PLAT417_ALERT_2_C Short Inter D-H..H-D H6A .. H8C .. 2.13 Ang. PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2 N1 -PT1 -O1 -C1 -153.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6 N2 -PT1 -O3 -C6 156.00 12.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43 O1 -PT1 -N1 -C7 -50.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 47 O3 -PT1 -N2 -C12 -45.00 12.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 50 O3 -PT1 -N2 -C9 -163.00 12.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 53 O3 -PT1 -N2 -C8 77.00 12.00 1.555 1.555 1.555 1.555 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 20.60 Deg. C4' -C3 -C4 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 18.90 Deg. H3A -C3 -H3C 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 18.90 Deg. H3B -C3 -H3D 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 20.50 Deg. C4 -C5 -C4' 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 17.80 Deg. H5A -C5 -H5C 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 19.00 Deg. H5B -C5 -H5D 1.555 1.555 1.555
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 28.26 From the CIF: _reflns_number_total 3786 Count of symmetry unique reflns 2154 Completeness (_total/calc) 175.77% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1632 Fraction of Friedel pairs measured 0.758 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 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 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2000); software used to prepare material for publication: SHELXTL (Sheldrick, 2000) and DIAMOND (Bergerhoff, 1996).

(Cyclobutane-1,1-dicarboxylato)(2-morpholinoethylamine)platinum(II) trihydrate top
Crystal data top
[Pt(C6H6O4)(C6H14N2O)]·3H2OF(000) = 1016
Mr = 521.44Dx = 2.002 Mg m3
Monoclinic, CcMo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2ycCell parameters from 6146 reflections
a = 15.8575 (9) Åθ = 2.6–28.2°
b = 12.3884 (7) ŵ = 8.15 mm1
c = 9.0359 (5) ÅT = 294 K
β = 102.889 (1)°Block, colourless
V = 1730.37 (17) Å30.24 × 0.19 × 0.13 mm
Z = 4
Data collection top
Bruker APEXII CCD area-detector
diffractometer
3786 independent reflections
Radiation source: fine-focus sealed tube3509 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.019
Detector resolution: 10 pixels mm-1θmax = 28.3°, θmin = 2.1°
φ and ω scansh = 2020
Absorption correction: multi-scan
(Sheldrick, 2002)
k = 1515
Tmin = 0.203, Tmax = 0.346l = 1111
8167 measured reflections
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.015 w = 1/[σ2(Fo2)]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.034(Δ/σ)max = 0.003
S = 0.87Δρmax = 0.59 e Å3
3786 reflectionsΔρmin = 0.72 e Å3
237 parametersExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
33 restraintsExtinction coefficient: 0.00297 (8)
Primary atom site location: structure-invariant direct methodsAbsolute structure: Flack (1983), with 1632 Friedel pairs
Secondary atom site location: difference Fourier mapAbsolute structure parameter: 0.016 (7)
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)
Pt10.00116 (4)0.333885 (7)0.24737 (5)0.02662 (5)
O10.0894 (3)0.3145 (2)0.1240 (5)0.0343 (7)
O20.12701 (17)0.2429 (2)0.0746 (3)0.0422 (6)
O30.0902 (4)0.3391 (2)0.0486 (7)0.0331 (13)
O40.13866 (18)0.2773 (2)0.1806 (3)0.0455 (7)
C10.0738 (2)0.2526 (3)0.0055 (4)0.0305 (7)
C20.0116 (2)0.1928 (3)0.0327 (4)0.0310 (7)
C30.0210 (3)0.1041 (3)0.1563 (4)0.0418 (9)
H3A0.02790.09870.20220.050*0.44 (3)
H3B0.07390.10950.23230.050*0.44 (3)
H3C0.03300.08090.17690.050*0.56 (3)
H3D0.06150.12260.24860.050*0.56 (3)
C40.0248 (15)0.0149 (7)0.0383 (12)0.057 (4)0.44 (3)
H4A0.07830.02600.05990.068*0.44 (3)
H4B0.02500.03280.01930.068*0.44 (3)
C4'0.0587 (11)0.0280 (9)0.0550 (10)0.052 (3)0.56 (3)
H4'A0.03380.04380.04710.062*0.56 (3)
H4'B0.12140.02460.08040.062*0.56 (3)
C50.0213 (2)0.1016 (3)0.0836 (4)0.0390 (9)
H5A0.07400.10670.11880.047*0.44 (3)
H5B0.02780.09600.16740.047*0.44 (3)
H5C0.06230.11850.14380.047*0.56 (3)
H5D0.03260.07770.14600.047*0.56 (3)
C60.0862 (2)0.2732 (3)0.0588 (4)0.0303 (7)
N10.0900 (3)0.3587 (3)0.3734 (5)0.0344 (9)
H1A0.12810.40950.32970.041*
H1B0.11920.29720.38010.041*
N20.0880 (5)0.3335 (2)0.4495 (8)0.0302 (15)
O50.2714 (2)0.3363 (2)0.6007 (4)0.0549 (8)
C70.0442 (2)0.3943 (4)0.5260 (4)0.0433 (9)
H7A0.08100.38530.59770.052*
H7B0.02870.47000.52400.052*
C80.0363 (3)0.3259 (3)0.5728 (5)0.0418 (10)
H8A0.02040.25140.58560.050*
H8B0.07100.35140.66870.050*
C90.1478 (2)0.2386 (3)0.4591 (4)0.0364 (8)
H9A0.17160.23710.36910.044*
H9B0.11490.17270.46050.044*
C100.2213 (2)0.2413 (4)0.5980 (5)0.0441 (9)
H10A0.19800.23840.68860.053*
H10B0.25780.17850.59810.053*
C110.2188 (3)0.4286 (4)0.6047 (6)0.0569 (12)
H11A0.25360.49330.60710.068*
H11B0.19670.42710.69650.068*
C120.1429 (3)0.4323 (3)0.4662 (5)0.0416 (9)
H12A0.10730.49470.47470.050*
H12B0.16540.44130.37550.050*
O60.7856 (2)0.4736 (2)0.7595 (4)0.0527 (8)
H6A0.800 (3)0.410 (3)0.783 (5)0.079*
H6B0.756 (3)0.476 (4)0.664 (3)0.079*
O70.3058 (2)0.3007 (3)0.0122 (4)0.0569 (8)
H7C0.328 (3)0.298 (5)0.107 (4)0.085*
H7D0.2529 (18)0.299 (5)0.008 (6)0.085*
O80.1955 (2)0.0284 (3)0.9685 (4)0.0654 (9)
H8C0.225 (4)0.008 (4)0.899 (6)0.098*
H8D0.193 (4)0.098 (2)0.961 (7)0.098*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.03237 (6)0.02665 (6)0.02179 (6)0.00370 (8)0.00809 (4)0.00099 (9)
O10.0357 (16)0.0396 (16)0.0298 (16)0.0041 (15)0.0120 (12)0.0044 (16)
O20.0399 (14)0.0598 (18)0.0307 (14)0.0023 (13)0.0159 (12)0.0060 (13)
O30.036 (3)0.034 (3)0.029 (3)0.0076 (12)0.008 (2)0.0034 (13)
O40.0515 (16)0.0490 (16)0.0300 (14)0.0135 (13)0.0035 (12)0.0035 (12)
C10.0354 (18)0.0330 (18)0.0224 (17)0.0076 (14)0.0051 (14)0.0052 (13)
C20.0392 (19)0.0293 (16)0.0249 (18)0.0026 (14)0.0080 (15)0.0013 (13)
C30.051 (2)0.037 (2)0.035 (2)0.0093 (17)0.0045 (17)0.0115 (16)
C40.060 (8)0.044 (5)0.074 (6)0.001 (5)0.033 (5)0.012 (4)
C4'0.052 (6)0.034 (4)0.072 (5)0.002 (4)0.022 (4)0.010 (3)
C50.047 (2)0.0307 (19)0.039 (2)0.0027 (15)0.0080 (18)0.0071 (15)
C60.0359 (18)0.0281 (17)0.0273 (18)0.0038 (14)0.0079 (15)0.0041 (14)
N10.0364 (19)0.0415 (19)0.0286 (19)0.008 (2)0.0142 (15)0.002 (2)
N20.036 (4)0.030 (3)0.023 (3)0.0003 (14)0.003 (3)0.0038 (14)
O50.0383 (16)0.066 (2)0.058 (2)0.0057 (13)0.0057 (15)0.0123 (14)
C70.043 (2)0.058 (3)0.033 (2)0.0101 (19)0.0166 (17)0.0076 (18)
C80.040 (2)0.059 (3)0.028 (2)0.0057 (18)0.0098 (17)0.0037 (17)
C90.0369 (19)0.0341 (19)0.037 (2)0.0069 (15)0.0056 (16)0.0015 (15)
C100.038 (2)0.056 (3)0.037 (2)0.0060 (17)0.0051 (17)0.0025 (18)
C110.056 (3)0.057 (3)0.056 (3)0.017 (2)0.008 (2)0.020 (2)
C120.054 (2)0.036 (2)0.037 (2)0.0038 (17)0.0143 (18)0.0027 (16)
O60.0563 (18)0.0386 (17)0.059 (2)0.0048 (13)0.0030 (15)0.0003 (13)
O70.0550 (19)0.072 (2)0.0421 (18)0.0063 (18)0.0080 (15)0.0031 (17)
O80.072 (2)0.056 (2)0.068 (2)0.0170 (17)0.0132 (18)0.0030 (17)
Geometric parameters (Å, º) top
Pt1—O12.019 (4)N1—H1A0.9000
Pt1—O32.023 (6)N1—H1B0.9000
Pt1—N12.023 (5)N2—C121.491 (6)
Pt1—N22.045 (7)N2—C91.500 (6)
O1—C11.295 (5)N2—C81.527 (9)
O2—C11.233 (4)O5—C101.418 (5)
O3—C61.280 (6)O5—C111.420 (6)
O4—C61.224 (4)C7—C81.512 (6)
C1—C21.515 (5)C7—H7A0.9700
C2—C61.524 (5)C7—H7B0.9700
C2—C31.550 (5)C8—H8A0.9700
C2—C51.573 (5)C8—H8B0.9700
C3—C4'1.527 (8)C9—C101.511 (5)
C3—C41.546 (9)C9—H9A0.9700
C3—H3A0.9600C9—H9B0.9700
C3—H3B0.9600C10—H10A0.9700
C3—H3C0.9601C10—H10B0.9700
C3—H3D0.9600C11—C121.531 (6)
C4—C51.531 (9)C11—H11A0.9700
C4—H4A0.9700C11—H11B0.9700
C4—H4B0.9700C12—H12A0.9700
C4'—C51.556 (8)C12—H12B0.9700
C4'—H4'A0.9700O6—H6A0.83 (3)
C4'—H4'B0.9700O6—H6B0.88 (2)
C5—H5A0.9601O7—H7C0.85 (3)
C5—H5B0.9600O7—H7D0.82 (3)
C5—H5C0.9600O8—H8C0.90 (3)
C5—H5D0.9600O8—H8D0.86 (3)
N1—C71.476 (6)
O1—Pt1—O387.4 (2)H5A—C5—H5C17.8
O1—Pt1—N1177.92 (18)H5B—C5—H5C95.9
O3—Pt1—N193.4 (2)C4—C5—H5D95.2
O1—Pt1—N293.3 (2)C4'—C5—H5D115.0
O3—Pt1—N2178.24 (14)C2—C5—H5D114.1
N1—Pt1—N285.9 (3)H5A—C5—H5D123.5
C1—O1—Pt1120.0 (3)H5B—C5—H5D19.0
C6—O3—Pt1120.7 (4)H5C—C5—H5D111.2
O2—C1—O1120.9 (4)O4—C6—O3121.2 (4)
O2—C1—C2120.9 (3)O4—C6—C2120.9 (3)
O1—C1—C2118.2 (3)O3—C6—C2117.8 (4)
C1—C2—C6109.8 (3)C7—N1—Pt1108.2 (3)
C1—C2—C3116.6 (3)C7—N1—H1A110.1
C6—C2—C3113.9 (3)Pt1—N1—H1A110.1
C1—C2—C5114.5 (3)C7—N1—H1B110.1
C6—C2—C5112.6 (3)Pt1—N1—H1B110.1
C3—C2—C588.0 (3)H1A—N1—H1B108.4
C4'—C3—C420.6 (6)C12—N2—C9106.9 (5)
C4'—C3—C289.6 (4)C12—N2—C8111.9 (4)
C4—C3—C291.2 (4)C9—N2—C8110.1 (4)
C4'—C3—H3A132.7C12—N2—Pt1111.1 (3)
C4—C3—H3A114.0C9—N2—Pt1110.8 (4)
C2—C3—H3A113.9C8—N2—Pt1106.0 (4)
C4'—C3—H3B94.3C10—O5—C11109.8 (4)
C4—C3—H3B112.3N1—C7—C8107.6 (3)
C2—C3—H3B113.3N1—C7—H7A110.2
H3A—C3—H3B110.9C8—C7—H7A110.2
C4'—C3—H3C114.6N1—C7—H7B110.2
C4—C3—H3C95.3C8—C7—H7B110.2
C2—C3—H3C113.9H7A—C7—H7B108.5
H3A—C3—H3C18.9C7—C8—N2108.6 (4)
H3B—C3—H3C123.8C7—C8—H8A110.0
C4'—C3—H3D113.1N2—C8—H8A110.0
C4—C3—H3D130.4C7—C8—H8B110.0
C2—C3—H3D113.3N2—C8—H8B110.0
H3A—C3—H3D95.2H8A—C8—H8B108.4
H3B—C3—H3D18.9N2—C9—C10113.0 (4)
H3C—C3—H3D110.9N2—C9—H9A109.0
C5—C4—C389.6 (5)C10—C9—H9A109.0
C5—C4—H4A113.7N2—C9—H9B109.0
C3—C4—H4A113.7C10—C9—H9B109.0
C5—C4—H4B113.7H9A—C9—H9B107.8
C3—C4—H4B113.7O5—C10—C9111.0 (3)
H4A—C4—H4B111.0O5—C10—H10A109.4
C3—C4'—C589.4 (4)C9—C10—H10A109.4
C3—C4'—H4'A113.7O5—C10—H10B109.4
C5—C4'—H4'A113.7C9—C10—H10B109.4
C3—C4'—H4'B113.7H10A—C10—H10B108.0
C5—C4'—H4'B113.7O5—C11—C12111.2 (3)
H4'A—C4'—H4'B111.0O5—C11—H11A109.4
C4—C5—C4'20.5 (6)C12—C11—H11A109.4
C4—C5—C290.9 (4)O5—C11—H11B109.4
C4'—C5—C287.7 (4)C12—C11—H11B109.4
C4—C5—H5A112.9H11A—C11—H11B108.0
C4'—C5—H5A95.8N2—C12—C11113.1 (4)
C2—C5—H5A113.3N2—C12—H12A108.9
C4—C5—H5B114.2C11—C12—H12A108.9
C4'—C5—H5B133.5N2—C12—H12B108.9
C2—C5—H5B113.4C11—C12—H12B108.9
H5A—C5—H5B110.8H12A—C12—H12B107.8
C4—C5—H5C129.8H6A—O6—H6B110 (3)
C4'—C5—H5C113.5H7C—O7—H7D114 (4)
C2—C5—H5C113.6H8C—O8—H8D105 (3)
O3—Pt1—O1—C140.4 (3)Pt1—O3—C6—C21.1 (6)
N1—Pt1—O1—C1153 (6)C1—C2—C6—O4120.0 (4)
N2—Pt1—O1—C1141.2 (3)C3—C2—C6—O412.9 (5)
O1—Pt1—O3—C642.6 (4)C5—C2—C6—O4111.1 (4)
N1—Pt1—O3—C6139.3 (4)C1—C2—C6—O357.2 (5)
N2—Pt1—O3—C6156 (12)C3—C2—C6—O3169.9 (4)
Pt1—O1—C1—O2177.3 (3)C5—C2—C6—O371.7 (5)
Pt1—O1—C1—C22.5 (5)O1—Pt1—N1—C750 (7)
O2—C1—C2—C6120.3 (4)O3—Pt1—N1—C7162.1 (3)
O1—C1—C2—C659.4 (4)N2—Pt1—N1—C716.3 (3)
O2—C1—C2—C311.2 (5)O1—Pt1—N2—C1268.7 (4)
O1—C1—C2—C3169.1 (3)O3—Pt1—N2—C1245 (12)
O2—C1—C2—C5111.8 (4)N1—Pt1—N2—C12109.4 (4)
O1—C1—C2—C568.4 (4)O1—Pt1—N2—C950.0 (4)
C1—C2—C3—C4'133.8 (7)O3—Pt1—N2—C9163 (12)
C6—C2—C3—C4'96.6 (8)N1—Pt1—N2—C9131.9 (4)
C5—C2—C3—C4'17.3 (7)O1—Pt1—N2—C8169.5 (2)
C1—C2—C3—C4113.3 (9)O3—Pt1—N2—C877 (12)
C6—C2—C3—C4117.1 (9)N1—Pt1—N2—C812.4 (2)
C5—C2—C3—C43.2 (9)Pt1—N1—C7—C842.0 (4)
C4'—C3—C4—C582.3 (13)N1—C7—C8—N254.3 (5)
C2—C3—C4—C53.3 (9)C12—N2—C8—C782.6 (5)
C4—C3—C4'—C577.1 (13)C9—N2—C8—C7158.7 (4)
C2—C3—C4'—C517.5 (7)Pt1—N2—C8—C738.7 (4)
C3—C4—C5—C4'77.6 (14)C12—N2—C9—C1052.1 (6)
C3—C4—C5—C23.2 (9)C8—N2—C9—C1069.7 (5)
C3—C4'—C5—C481.6 (13)Pt1—N2—C9—C10173.4 (3)
C3—C4'—C5—C217.3 (7)C11—O5—C10—C960.6 (5)
C1—C2—C5—C4115.2 (9)N2—C9—C10—O558.8 (5)
C6—C2—C5—C4118.4 (9)C10—O5—C11—C1259.4 (5)
C3—C2—C5—C43.2 (9)C9—N2—C12—C1150.8 (6)
C1—C2—C5—C4'135.4 (7)C8—N2—C12—C1169.9 (5)
C6—C2—C5—C4'98.1 (7)Pt1—N2—C12—C11171.9 (3)
C3—C2—C5—C4'17.0 (7)O5—C11—C12—N256.5 (6)
Pt1—O3—C6—O4178.4 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O8—H8D···O2i0.86 (3)2.07 (3)2.864 (4)153 (6)
O8—H8C···O6ii0.90 (3)1.79 (3)2.697 (5)177 (6)
O7—H7D···O20.82 (3)2.07 (3)2.859 (5)161 (6)
O7—H7C···O4iii0.85 (3)2.10 (4)2.885 (4)154 (6)
O6—H6B···O8iv0.88 (2)1.82 (3)2.698 (5)176 (5)
O6—H6A···O4v0.83 (3)1.91 (3)2.713 (4)163 (6)
N1—H1A···O6vi0.902.002.891 (5)173
N1—H1A···O6vi0.902.002.891 (5)173
Symmetry codes: (i) x, y, z+1; (ii) x1/2, y1/2, z; (iii) x+1/2, y+1/2, z+1/2; (iv) x+1/2, y+1/2, z1/2; (v) x+1, y, z+1; (vi) x1, y+1, z1/2.
 

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