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The title compound, Dy(Hoda)3.H2oda·H2O (H2oda: oxydi­acetic acid) or [Dy(C4H5O5)3]·C4H6O5·H2O, crystallizes in the monoclinic space group P21/n and is isostructural with the homologous Y, Gd, and Tb compounds. The structure is described in terms of Dy(Hoda)3 layers connected by H2oda mol­ecules and intermolecular hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803022189/na6253sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803022189/na6253Isup2.hkl
Contains datablock I

CCDC reference: 226646

Key indicators

  • Single-crystal X-ray study
  • T = 297 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.028
  • wR factor = 0.072
  • Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 16 PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.75 Ratio PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... C4D PLAT301_ALERT_3_C Main Residue Disorder ......................... 3.00 Perc. PLAT432_ALERT_2_C Short Inter X...Y Contact O4BA .. C4C = 2.93 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 22
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART-NT (Bruker, 2001); cell refinement: SMART-NT; data reduction: SAINT-NT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-NT (Sheldrick, 1994); software used to prepare material for publication: SHELXTL-NT.

Tris(hydrogen oxydiacetato)dysprosium(III) oxydiacetic acid monohydrate top
Crystal data top
[Dy(C4H5O5)3]·C4H6O5·H2OF(000) = 1412
Mr = 713.84Dx = 1.968 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 6.5585 (5) ÅCell parameters from 146 reflections
b = 25.1747 (19) Åθ = 2.4–24.6°
c = 14.6163 (11) ŵ = 3.20 mm1
β = 93.259 (1)°T = 297 K
V = 2409.4 (3) Å3Plates, colorless
Z = 40.28 × 0.22 × 0.14 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
5363 independent reflections
Radiation source: fine-focus sealed tube4651 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.030
φ and ω scansθmax = 28.0°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS in SAINT-NT; Bruker, 2002)
h = 88
Tmin = 0.44, Tmax = 0.64k = 3132
19843 measured reflectionsl = 1818
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)] = 0.028Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072H atoms treated by a mixture of independent and constrained refinement
S = 0.89 w = 1/[σ2(Fo2) + (0.045P)2 + 2.6742P]
where P = (Fo2 + 2Fc2)/3
5363 reflections(Δ/σ)max = 0.004
423 parametersΔρmax = 0.59 e Å3
43 restraintsΔρmin = 0.85 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Dy0.22758 (2)0.189127 (6)0.262614 (10)0.02809 (6)
O1A0.0343 (4)0.20188 (10)0.15396 (16)0.0376 (5)
O2A0.1902 (4)0.19780 (12)0.01667 (18)0.0485 (7)
O3A0.2165 (3)0.12527 (9)0.12564 (15)0.0324 (5)
O4A0.7332 (3)0.09089 (9)0.17401 (17)0.0384 (5)
H4A0.818 (5)0.0932 (9)0.221 (2)0.058*
O5A0.4939 (3)0.12416 (9)0.25865 (15)0.0342 (5)
C1A0.0556 (5)0.18250 (14)0.0763 (2)0.0342 (8)
C2A0.0835 (5)0.13844 (16)0.0484 (2)0.0381 (8)
H2AA0.009 (5)0.1065 (9)0.032 (2)0.046*
H2AB0.168 (5)0.1484 (12)0.0016 (17)0.046*
C3A0.4078 (5)0.10368 (14)0.1017 (2)0.0358 (7)
H3AA0.473 (5)0.1217 (10)0.0528 (17)0.043*
H3AB0.387 (5)0.0668 (5)0.086 (2)0.043*
C4A0.5498 (5)0.10708 (12)0.1860 (2)0.0310 (7)
O1B0.0005 (3)0.11974 (10)0.30228 (15)0.0363 (5)
O2B0.1561 (4)0.07146 (10)0.40383 (17)0.0403 (6)
O3B0.2793 (3)0.15342 (10)0.41693 (15)0.0355 (5)
O4BA0.6979 (6)0.2351 (2)0.4819 (3)0.0392 (8)0.571 (4)
H4BA0.736 (7)0.2648 (9)0.461 (4)0.059*0.571 (4)
O4BB0.7683 (9)0.2080 (3)0.4551 (4)0.0392 (8)0.429 (4)
H4BB0.842 (11)0.2218 (9)0.415 (4)0.059*0.429 (4)
O5B0.5058 (4)0.22575 (10)0.35140 (16)0.0387 (6)
C1B0.0189 (5)0.10177 (12)0.3832 (2)0.0294 (7)
C2B0.1402 (5)0.11807 (13)0.4555 (2)0.0313 (7)
H2BA0.083 (5)0.1354 (11)0.5070 (14)0.038*
H2BB0.216 (5)0.0868 (8)0.4766 (19)0.038*
C3B0.4592 (5)0.16461 (15)0.4722 (2)0.0342 (7)
H3BA0.541 (5)0.1328 (9)0.475 (2)0.041*
H3BB0.428 (5)0.1751 (12)0.5332 (11)0.041*
C4B0.5669 (6)0.20816 (18)0.4262 (3)0.0475 (10)
O1C0.0161 (4)0.24068 (12)0.34771 (17)0.0470 (6)
O2C0.1275 (5)0.31452 (16)0.3906 (3)0.0887 (14)
O3C0.2439 (3)0.28574 (10)0.23491 (16)0.0364 (5)
O4C0.6336 (4)0.27551 (10)0.08156 (18)0.0447 (6)
H4C0.695 (4)0.2492 (13)0.0542 (17)0.067*
O5C0.4438 (3)0.21659 (9)0.14990 (15)0.0331 (5)
C1C0.0013 (6)0.2898 (2)0.3472 (3)0.0549 (11)
C2C0.1467 (8)0.32174 (17)0.2937 (3)0.0533 (11)
H2CA0.074 (5)0.3475 (11)0.256 (2)0.064*
H2CB0.244 (5)0.3392 (13)0.336 (2)0.064*
C3C0.4112 (6)0.30716 (13)0.1901 (3)0.0409 (9)
H3CA0.506 (5)0.3209 (12)0.237 (2)0.049*
H3CB0.360 (5)0.3358 (9)0.151 (2)0.049*
C4C0.5014 (5)0.26259 (13)0.1371 (2)0.0346 (7)
O1D0.3021 (4)0.02885 (12)0.90477 (18)0.0545 (7)
O2D0.0258 (5)0.04327 (19)0.8125 (2)0.0818 (11)
H2D0.039 (6)0.039 (2)0.859 (2)0.067 (15)*
O3D0.5335 (4)0.01908 (12)0.76154 (17)0.0502 (7)
O4D0.7732 (5)0.01430 (11)0.5482 (2)0.0607 (8)
H4D0.799 (7)0.0359 (15)0.506 (2)0.062 (14)*
O5D0.6489 (5)0.08345 (11)0.6200 (2)0.0603 (8)
C1D0.2220 (6)0.03470 (17)0.8304 (3)0.0490 (9)
C2D0.3298 (6)0.03364 (19)0.7423 (3)0.0488 (9)
H2DA0.254 (5)0.0097 (10)0.701 (2)0.059*
H2DB0.310 (6)0.0697 (6)0.722 (3)0.059*
C3D0.6288 (6)0.00310 (15)0.6861 (3)0.0449 (9)
H3DA0.544 (4)0.0293 (10)0.654 (2)0.054*
H3DB0.757 (3)0.0191 (12)0.708 (3)0.054*
C4D0.6828 (6)0.03734 (14)0.6160 (3)0.0395 (8)
O1W0.7653 (5)0.03982 (16)0.9407 (2)0.0662 (9)
H1WA0.654 (5)0.037 (2)0.907 (3)0.079*
H1WB0.756 (7)0.0239 (19)0.991 (2)0.079*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Dy0.02352 (9)0.03842 (10)0.02244 (9)0.00396 (6)0.00213 (6)0.00505 (6)
O1A0.0306 (12)0.0529 (14)0.0290 (13)0.0080 (11)0.0015 (10)0.0011 (10)
O2A0.0335 (13)0.085 (2)0.0267 (13)0.0169 (13)0.0031 (11)0.0035 (12)
O3A0.0259 (11)0.0427 (13)0.0284 (12)0.0026 (10)0.0005 (9)0.0008 (9)
O4A0.0274 (12)0.0489 (14)0.0385 (14)0.0032 (10)0.0030 (10)0.0057 (11)
O5A0.0350 (12)0.0390 (13)0.0283 (12)0.0034 (10)0.0015 (10)0.0048 (10)
C1A0.0218 (15)0.054 (2)0.0264 (17)0.0018 (14)0.0021 (13)0.0039 (14)
C2A0.0294 (16)0.057 (2)0.0276 (17)0.0037 (16)0.0035 (14)0.0055 (15)
C3A0.0306 (17)0.0417 (19)0.0349 (18)0.0034 (15)0.0012 (14)0.0065 (14)
C4A0.0286 (15)0.0279 (16)0.0361 (18)0.0031 (13)0.0013 (14)0.0053 (13)
O1B0.0294 (12)0.0521 (15)0.0275 (12)0.0109 (10)0.0016 (10)0.0094 (10)
O2B0.0376 (13)0.0444 (14)0.0391 (14)0.0134 (11)0.0038 (11)0.0096 (11)
O3B0.0287 (11)0.0520 (15)0.0254 (11)0.0151 (10)0.0029 (9)0.0108 (10)
O4BA0.031 (2)0.058 (3)0.028 (2)0.0095 (17)0.0015 (15)0.0046 (16)
O4BB0.031 (2)0.058 (3)0.028 (2)0.0095 (17)0.0015 (15)0.0046 (16)
O5B0.0367 (13)0.0484 (14)0.0304 (13)0.0144 (11)0.0040 (10)0.0071 (10)
C1B0.0259 (15)0.0312 (16)0.0314 (17)0.0006 (13)0.0054 (13)0.0023 (12)
C2B0.0363 (17)0.0315 (16)0.0269 (16)0.0063 (14)0.0081 (14)0.0017 (12)
C3B0.0274 (16)0.046 (2)0.0287 (17)0.0007 (15)0.0029 (14)0.0072 (14)
C4B0.038 (2)0.067 (3)0.037 (2)0.0207 (19)0.0072 (17)0.0093 (18)
O1C0.0360 (14)0.071 (2)0.0351 (14)0.0032 (13)0.0124 (11)0.0015 (13)
O2C0.0448 (19)0.135 (4)0.090 (3)0.0003 (18)0.0293 (19)0.063 (2)
O3C0.0364 (13)0.0357 (13)0.0386 (13)0.0049 (10)0.0154 (11)0.0006 (10)
O4C0.0371 (13)0.0480 (15)0.0509 (16)0.0052 (11)0.0183 (12)0.0165 (12)
O5C0.0344 (12)0.0334 (12)0.0326 (12)0.0008 (10)0.0114 (10)0.0033 (9)
C1C0.0303 (19)0.102 (4)0.032 (2)0.000 (2)0.0036 (16)0.018 (2)
C2C0.062 (3)0.054 (2)0.046 (2)0.016 (2)0.022 (2)0.0058 (18)
C3C0.043 (2)0.0316 (18)0.049 (2)0.0007 (15)0.0163 (18)0.0091 (15)
C4C0.0297 (16)0.0360 (18)0.0386 (19)0.0015 (14)0.0070 (15)0.0085 (14)
O1D0.0582 (17)0.0694 (19)0.0357 (15)0.0017 (14)0.0019 (13)0.0045 (13)
O2D0.0468 (18)0.152 (4)0.047 (2)0.006 (2)0.0087 (16)0.000 (2)
O3D0.0451 (15)0.0730 (19)0.0326 (14)0.0001 (13)0.0027 (12)0.0021 (12)
O4D0.090 (2)0.0407 (16)0.0557 (19)0.0085 (15)0.0396 (17)0.0116 (13)
O5D0.093 (2)0.0355 (15)0.0543 (18)0.0008 (15)0.0159 (17)0.0055 (12)
C1D0.050 (2)0.053 (2)0.044 (2)0.0049 (19)0.0032 (19)0.0044 (18)
C2D0.043 (2)0.068 (3)0.036 (2)0.001 (2)0.0002 (17)0.0042 (18)
C3D0.049 (2)0.044 (2)0.042 (2)0.0010 (17)0.0107 (18)0.0069 (16)
C4D0.044 (2)0.036 (2)0.038 (2)0.0028 (16)0.0037 (16)0.0049 (15)
O1W0.0473 (17)0.104 (3)0.0471 (18)0.0104 (18)0.0030 (14)0.0009 (18)
Geometric parameters (Å, º) top
Dy—O1A2.294 (2)C2B—H2BB0.97 (2)
Dy—O1C2.313 (3)C3B—C4B1.486 (5)
Dy—O5C2.339 (2)C3B—H3BA0.97 (2)
Dy—O5B2.365 (2)C3B—H3BB0.97 (2)
Dy—O1B2.392 (2)O1C—C1C1.243 (6)
Dy—O5A2.396 (2)O2C—C1C1.238 (5)
Dy—O3B2.434 (2)O3C—C3C1.416 (4)
Dy—O3C2.469 (3)O3C—C2C1.424 (5)
Dy—O3A2.565 (2)O4C—C4C1.264 (4)
O1A—C1A1.237 (4)O4C—H4C0.88 (2)
O2A—C1A1.264 (4)O5C—C4C1.235 (4)
O3A—C2A1.426 (4)C1C—C2C1.512 (7)
O3A—C3A1.429 (4)C2C—H2CA0.97 (2)
O4A—C4A1.291 (4)C2C—H2CB0.97 (2)
O4A—H4A0.86 (2)C3C—C4C1.504 (5)
O5A—C4A1.221 (4)C3C—H3CA0.97 (2)
C1A—C2A1.507 (5)C3C—H3CB0.97 (2)
C2A—H2AA0.97 (2)O1D—C1D1.189 (5)
C2A—H2AB0.97 (2)O2D—C1D1.316 (5)
C3A—C4A1.504 (5)O2D—H2D0.83 (2)
C3A—H3AA0.97 (2)O3D—C2D1.398 (5)
C3A—H3AB0.97 (2)O3D—C3D1.413 (5)
O1B—C1B1.278 (4)O4D—C4D1.318 (5)
O2B—C1B1.231 (4)O4D—H4D0.84 (2)
O3B—C2B1.415 (4)O5D—C4D1.184 (5)
O3B—C3B1.419 (4)C1D—C2D1.504 (6)
O4BA—C4B1.335 (6)C2D—H2DA0.97 (2)
O4BA—H4BA0.85 (2)C2D—H2DB0.97 (2)
O4BB—C4B1.364 (7)C3D—C4D1.501 (5)
O4BB—H4BB0.86 (2)C3D—H3DA0.97 (2)
O5B—C4B1.225 (4)C3D—H3DB0.97 (2)
C1B—C2B1.500 (5)O1W—H1WA0.85 (2)
C2B—H2BA0.97 (2)O1W—H1WB0.85 (2)
O1A—Dy—O1C81.12 (9)H4BA—O4BB—H4BB75 (2)
O1A—Dy—O5C86.05 (9)C4B—O5B—Dy123.5 (2)
O1C—Dy—O5C128.24 (9)O2B—C1B—O1B123.7 (3)
O1A—Dy—O5B148.10 (9)O2B—C1B—C2B119.0 (3)
O1C—Dy—O5B87.34 (9)O1B—C1B—C2B117.2 (3)
O5C—Dy—O5B77.96 (8)O3B—C2B—C1B109.2 (3)
O1A—Dy—O1B79.40 (8)O3B—C2B—H2BA108 (2)
O1C—Dy—O1B82.94 (9)C1B—C2B—H2BA113 (2)
O5C—Dy—O1B143.05 (8)O3B—C2B—H2BB108 (2)
O5B—Dy—O1B128.69 (8)C1B—C2B—H2BB109 (2)
O1A—Dy—O5A126.64 (8)H2BA—C2B—H2BB109.6 (14)
O1C—Dy—O5A148.89 (9)O3B—C3B—C4B106.8 (3)
O5C—Dy—O5A73.30 (8)O3B—C3B—H3BA107 (2)
O5B—Dy—O5A74.85 (8)C4B—C3B—H3BA111 (2)
O1B—Dy—O5A88.52 (8)O3B—C3B—H3BB112 (2)
O1A—Dy—O3B138.82 (8)C4B—C3B—H3BB110 (2)
O1C—Dy—O3B76.42 (9)H3BA—C3B—H3BB110.0 (14)
O5C—Dy—O3B134.73 (8)O5B—C4B—O4BA121.8 (4)
O5B—Dy—O3B64.71 (7)O5B—C4B—O4BB122.6 (4)
O1B—Dy—O3B64.02 (7)O5B—C4B—C3B122.0 (3)
O5A—Dy—O3B72.95 (8)O4BA—C4B—C3B113.8 (4)
O1A—Dy—O3C77.67 (8)O4BB—C4B—C3B109.6 (4)
O1C—Dy—O3C64.43 (9)C1C—O1C—Dy127.8 (2)
O5C—Dy—O3C63.87 (7)C3C—O3C—C2C114.9 (3)
O5B—Dy—O3C70.53 (8)C3C—O3C—Dy119.53 (19)
O1B—Dy—O3C142.42 (8)C2C—O3C—Dy120.2 (2)
O5A—Dy—O3C129.05 (8)C4C—O4C—H4C116 (3)
O3B—Dy—O3C120.71 (8)C4C—O5C—Dy125.9 (2)
O1A—Dy—O3A63.94 (8)O2C—C1C—O1C124.1 (5)
O1C—Dy—O3A141.26 (8)O2C—C1C—C2C117.8 (5)
O5C—Dy—O3A68.09 (8)O1C—C1C—C2C118.1 (4)
O5B—Dy—O3A131.23 (8)O3C—C2C—C1C107.3 (4)
O1B—Dy—O3A75.01 (8)O3C—C2C—H2CA108 (3)
O5A—Dy—O3A62.72 (7)C1C—C2C—H2CA110 (3)
O3B—Dy—O3A119.22 (8)O3C—C2C—H2CB112 (3)
O3C—Dy—O3A119.26 (7)C1C—C2C—H2CB110 (3)
C1A—O1A—Dy128.4 (2)H2CA—C2C—H2CB110.5 (15)
C2A—O3A—C3A113.6 (2)O3C—C3C—C4C107.0 (3)
C2A—O3A—Dy117.47 (19)O3C—C3C—H3CA107 (3)
C3A—O3A—Dy116.31 (18)C4C—C3C—H3CA112 (2)
C4A—O4A—H4A116 (3)O3C—C3C—H3CB108 (2)
C4A—O5A—Dy121.1 (2)C4C—C3C—H3CB113 (2)
O1A—C1A—O2A123.4 (3)H3CA—C3C—H3CB109.9 (15)
O1A—C1A—C2A120.0 (3)O5C—C4C—O4C124.4 (3)
O2A—C1A—C2A116.6 (3)O5C—C4C—C3C119.3 (3)
O3A—C2A—C1A108.0 (3)O4C—C4C—C3C116.3 (3)
O3A—C2A—H2AA107 (2)C1D—O2D—H2D111 (3)
C1A—C2A—H2AA112 (2)C2D—O3D—C3D114.0 (3)
O3A—C2A—H2AB108 (2)C4D—O4D—H4D112 (3)
C1A—C2A—H2AB113 (2)O1D—C1D—O2D125.3 (4)
H2AA—C2A—H2AB109.1 (14)O1D—C1D—C2D125.2 (4)
O3A—C3A—C4A106.8 (3)O2D—C1D—C2D109.6 (3)
O3A—C3A—H3AA116 (2)O3D—C2D—C1D108.8 (3)
C4A—C3A—H3AA107 (2)O3D—C2D—H2DA114 (2)
O3A—C3A—H3AB108 (2)C1D—C2D—H2DA107 (3)
C4A—C3A—H3AB109 (2)O3D—C2D—H2DB115 (3)
H3AA—C3A—H3AB110.2 (14)C1D—C2D—H2DB101 (3)
O5A—C4A—O4A123.9 (3)H2DA—C2D—H2DB109.8 (15)
O5A—C4A—C3A122.0 (3)O3D—C3D—C4D113.4 (3)
O4A—C4A—C3A114.1 (3)O3D—C3D—H3DA112 (2)
C1B—O1B—Dy125.2 (2)C4D—C3D—H3DA107 (2)
C2B—O3B—C3B115.6 (2)O3D—C3D—H3DB109 (2)
C2B—O3B—Dy122.87 (18)C4D—C3D—H3DB106 (3)
C3B—O3B—Dy121.45 (18)H3DA—C3D—H3DB109.9 (15)
C4B—O4BA—H4BA115 (5)O5D—C4D—O4D124.3 (3)
C4B—O4BA—H4BB84 (3)O5D—C4D—C3D125.3 (4)
H4BA—O4BA—H4BB75.4 (18)O4D—C4D—C3D110.4 (3)
C4B—O4BB—H4BA83 (2)H1WA—O1W—H1WB111 (3)
C4B—O4BB—H4BB111 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4A—H4A···O1Bi0.86 (2)1.77 (2)2.592 (3)161 (2)
O4BA—H4BA···O2Ci0.85 (2)1.89 (2)2.696 (6)160 (2)
O4BB—H4BB···O1Ci0.86 (2)1.62 (3)2.464 (7)169 (8)
O4C—H4C···O2Ai0.88 (2)1.61 (2)2.488 (4)173 (3)
O1W—H1WA···O3D0.85 (2)2.28 (3)2.998 (4)142 (4)
O1W—H1WA···O1D0.85 (2)2.32 (3)3.066 (4)146 (4)
O1W—H1WB···O1Dii0.85 (2)2.07 (2)2.898 (4)166 (5)
O2D—H2D···O1Wiii0.83 (2)1.80 (2)2.608 (5)164 (5)
O4D—H4D···O2Bi0.84 (2)1.78 (2)2.617 (4)169 (5)
C2A—H2AB···O2Civ0.97 (2)2.32 (2)3.288 (5)171 (3)
C2B—H2BA···O4Cv0.97 (2)2.51 (2)3.253 (4)134 (3)
C3B—H3BB···O4Cv0.97 (2)2.43 (2)3.127 (4)129 (2)
C3C—H3CB···O5Dvi0.97 (2)2.49 (2)3.375 (5)153 (3)
C2B—H2BB···O4Dvii0.97 (2)2.57 (2)3.381 (4)141 (3)
C3B—H3BA···O5D0.97 (2)2.53 (3)3.176 (4)124 (2)
C2D—H2DA···O2Bviii0.97 (2)2.61 (2)3.547 (5)162 (3)
Symmetry codes: (i) x+1, y, z; (ii) x+1, y, z+2; (iii) x1, y, z; (iv) x+1/2, y+1/2, z1/2; (v) x1/2, y+1/2, z+1/2; (vi) x1/2, y+1/2, z1/2; (vii) x+1, y, z+1; (viii) x, y, z+1.
 

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