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The title compound, [Nd2(C4H4O4)3(H2O)2]n, has been synthesized under hydro­thermal conditions. The asymmetric unit consists of two Nd3+ cations, three succinate anions and two aqua ligands. The coordination polyhedron around each Nd atom is a tricapped trigonal prism; the prisms are bridged into a three-dimensional network by succinate ligands. The succinate ligands exhibit gauche and anti conformations with different coordination modes.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806016278/sj2053sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806016278/sj2053Isup2.hkl
Contains datablock I

CCDC reference: 610892

Key indicators

  • Single-crystal X-ray study
  • T = 290 K
  • Mean [sigma](C-C)= 0.003 Å
  • R factor = 0.014
  • wR factor = 0.037
  • Data-to-parameter ratio = 13.9

checkCIF/PLATON results

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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: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

Poly[diaqua-µ6-succinato-di-µ5-succinato-dineodymium(III)] top
Crystal data top
[Nd2(C4H4O4)3(H2O)2]Z = 2
Mr = 672.73F(000) = 640
Triclinic, P1Dx = 2.591 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.843 (1) ÅCell parameters from 126 reflections
b = 8.111 (1) Åθ = 3.3–26.2°
c = 14.218 (3) ŵ = 6.03 mm1
α = 96.987 (4)°T = 290 K
β = 97.015 (4)°Plate, colorless
γ = 103.514 (4)°0.18 × 0.11 × 0.07 mm
V = 862.2 (2) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
3521 independent reflections
Radiation source: fine-focus sealed tube3226 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.009
φ and ω scansθmax = 26.4°, θmin = 1.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 97
Tmin = 0.438, Tmax = 0.646k = 710
5015 measured reflectionsl = 1716
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: difmap (O-H) and geom (others)
R[F2 > 2σ(F2)] = 0.014H-atom parameters constrained
wR(F2) = 0.037 w = 1/[σ2(Fo2) + (0.0189P)2 + 0.6339P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.005
3521 reflectionsΔρmax = 0.45 e Å3
254 parametersΔρmin = 0.53 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0087 (13)
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
Nd10.629614 (15)0.569797 (15)0.789888 (8)0.01379 (5)
Nd21.090618 (15)0.488763 (15)0.703383 (8)0.01356 (5)
O10.8441 (2)0.6547 (2)0.68319 (12)0.0202 (4)
O21.0579 (2)0.7117 (2)0.59868 (12)0.0228 (4)
C10.9120 (3)0.7330 (3)0.61893 (16)0.0161 (5)
C20.8224 (3)0.8533 (3)0.57211 (17)0.0202 (5)
H2A0.89190.89970.52500.024*
H2B0.82220.94850.62050.024*
C30.6320 (3)0.7728 (3)0.52265 (16)0.0187 (5)
H3A0.56550.71410.56730.022*
H3B0.57760.86330.50610.022*
C40.6188 (3)0.6465 (3)0.43261 (16)0.0164 (5)
O30.7496 (2)0.5860 (2)0.42278 (12)0.0254 (4)
O40.4762 (2)0.6082 (2)0.37366 (12)0.0230 (4)
O51.1454 (2)0.6623 (2)0.86359 (12)0.0277 (4)
O60.8961 (2)0.7234 (2)0.89717 (13)0.0280 (4)
C51.0590 (3)0.7395 (3)0.91493 (16)0.0168 (5)
C61.1584 (3)0.8606 (3)1.00510 (16)0.0164 (5)
H6A1.14020.97421.00180.020*
H6B1.28450.86911.00880.020*
C71.0953 (3)0.7984 (3)1.09536 (16)0.0186 (5)
H7A1.10740.89731.14370.022*
H7B0.97030.73941.08010.022*
C81.1950 (3)0.6801 (3)1.13650 (16)0.0169 (5)
O71.1610 (2)0.6293 (2)1.21575 (11)0.0194 (3)
O81.3121 (3)0.6321 (3)1.09621 (14)0.0324 (5)
O90.3810 (2)0.7009 (2)0.72856 (12)0.0200 (4)
O100.6416 (2)0.8776 (2)0.77715 (15)0.0231 (5)
C90.4833 (3)0.8524 (3)0.74158 (16)0.0185 (5)
C100.4117 (3)0.9994 (3)0.71278 (18)0.0230 (5)
H10A0.32660.95980.65420.028*
H10B0.50801.08950.70050.028*
C110.3219 (4)1.0704 (3)0.79255 (19)0.0261 (6)
H11A0.22710.97970.80570.031*
H11B0.40761.11190.85080.031*
C120.2474 (3)1.2148 (3)0.76312 (17)0.0204 (5)
O110.1028 (2)1.1826 (2)0.70984 (15)0.0317 (4)
O120.3344 (2)1.3719 (2)0.79327 (12)0.0209 (4)
O130.5039 (3)0.6721 (3)0.93370 (14)0.0373 (5)
O140.8451 (2)0.3148 (2)0.57946 (12)0.0251 (4)
H13A0.39670.66120.91950.050*
H13B0.52080.64590.98720.050*
H14A0.86580.30220.52420.050*
H14B0.74790.33270.58510.050*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Nd10.01075 (7)0.01804 (7)0.01418 (7)0.00686 (5)0.00163 (5)0.00268 (5)
Nd20.01072 (7)0.01661 (7)0.01445 (7)0.00631 (5)0.00181 (5)0.00125 (5)
O10.0204 (9)0.0227 (9)0.0208 (8)0.0079 (7)0.0071 (7)0.0075 (7)
O20.0152 (8)0.0350 (10)0.0218 (8)0.0094 (7)0.0040 (7)0.0107 (7)
C10.0158 (11)0.0155 (11)0.0144 (10)0.0019 (9)0.0002 (9)0.0006 (8)
C20.0206 (12)0.0177 (12)0.0213 (12)0.0038 (10)0.0001 (10)0.0045 (9)
C30.0181 (12)0.0218 (12)0.0177 (11)0.0102 (10)0.0002 (9)0.0017 (9)
C40.0150 (11)0.0192 (12)0.0153 (10)0.0032 (9)0.0044 (9)0.0041 (9)
O30.0188 (9)0.0374 (11)0.0207 (8)0.0128 (8)0.0025 (7)0.0040 (7)
O40.0169 (9)0.0300 (10)0.0201 (8)0.0068 (7)0.0001 (7)0.0022 (7)
O50.0202 (9)0.0382 (11)0.0218 (9)0.0084 (8)0.0032 (7)0.0089 (8)
O60.0154 (9)0.0390 (11)0.0263 (9)0.0107 (8)0.0050 (7)0.0075 (8)
C50.0175 (11)0.0185 (12)0.0144 (10)0.0047 (9)0.0004 (9)0.0050 (9)
C60.0157 (11)0.0156 (11)0.0172 (11)0.0053 (9)0.0003 (9)0.0008 (9)
C70.0194 (12)0.0214 (12)0.0158 (11)0.0090 (10)0.0008 (9)0.0012 (9)
C80.0143 (11)0.0196 (12)0.0164 (11)0.0038 (9)0.0001 (9)0.0041 (9)
O70.0214 (9)0.0221 (9)0.0178 (8)0.0083 (7)0.0055 (7)0.0066 (7)
O80.0312 (10)0.0507 (13)0.0328 (10)0.0287 (10)0.0183 (9)0.0250 (9)
O90.0159 (8)0.0163 (8)0.0283 (9)0.0053 (7)0.0005 (7)0.0051 (7)
O100.0190 (9)0.0186 (9)0.0280 (13)0.0049 (7)0.0048 (9)0.0023 (9)
C90.0189 (12)0.0186 (12)0.0187 (11)0.0069 (10)0.0044 (9)0.0002 (9)
C100.0241 (13)0.0175 (12)0.0291 (13)0.0080 (10)0.0035 (11)0.0049 (10)
C110.0338 (15)0.0207 (13)0.0293 (13)0.0138 (11)0.0086 (12)0.0076 (10)
C120.0232 (13)0.0201 (12)0.0235 (12)0.0108 (10)0.0113 (10)0.0064 (10)
O110.0258 (10)0.0191 (9)0.0473 (12)0.0073 (8)0.0052 (9)0.0018 (8)
O120.0189 (8)0.0170 (9)0.0280 (9)0.0059 (7)0.0028 (7)0.0056 (7)
O130.0276 (11)0.0564 (14)0.0273 (10)0.0116 (10)0.0098 (8)0.0031 (9)
O140.0186 (9)0.0368 (11)0.0190 (8)0.0086 (8)0.0022 (7)0.0015 (7)
Geometric parameters (Å, º) top
Nd1—O12.4375 (16)C4—O41.263 (3)
Nd1—O4i2.5163 (17)O5—C51.262 (3)
Nd1—O62.4059 (17)O6—C51.245 (3)
Nd1—O7ii2.5591 (17)C5—C61.519 (3)
Nd1—O8ii2.5158 (18)C6—C71.531 (3)
Nd1—O92.5441 (17)C6—H6A0.9700
Nd1—O102.5063 (19)C6—H6B0.9700
Nd1—O12iii2.4994 (17)C7—C81.499 (3)
Nd1—O132.5108 (19)C7—H7A0.9700
Nd2—O12.6091 (17)C7—H7B0.9700
Nd2—O22.5161 (18)C8—O81.251 (3)
Nd2—O3iv2.4078 (17)C8—O71.283 (3)
Nd2—O52.4602 (17)O9—C91.279 (3)
Nd2—O7ii2.4645 (17)O10—C91.242 (3)
Nd2—O9v2.4691 (17)C9—C101.510 (3)
Nd2—O11vi2.5200 (19)C10—C111.530 (4)
Nd2—O12vi2.5948 (17)C10—H10A0.9700
Nd2—O142.4699 (18)C10—H10B0.9700
O1—C11.274 (3)C11—C121.506 (3)
O2—C11.258 (3)C11—H11A0.9700
C1—C21.502 (3)C11—H11B0.9700
C2—C31.525 (3)C12—O111.237 (3)
C2—H2A0.9700C12—O121.290 (3)
C2—H2B0.9700O13—H13A0.820
C3—C41.516 (3)O13—H13B0.820
C3—H3A0.9700O14—H14A0.820
C3—H3B0.9700O14—H14B0.820
C4—O31.251 (3)
O6—Nd1—O176.10 (6)O2—C1—C2121.3 (2)
O6—Nd1—O12iii139.86 (6)O1—C1—C2120.1 (2)
O1—Nd1—O12iii142.11 (6)O2—C1—Nd257.17 (12)
O6—Nd1—O1076.80 (6)O1—C1—Nd261.47 (12)
O1—Nd1—O1073.98 (6)C2—C1—Nd2177.62 (16)
O12iii—Nd1—O10118.09 (6)C1—C2—C3114.9 (2)
O6—Nd1—O1378.82 (6)C1—C2—H2A108.6
O1—Nd1—O13144.43 (6)C3—C2—H2A108.6
O12iii—Nd1—O1370.38 (6)C1—C2—H2B108.6
O10—Nd1—O1376.04 (7)C3—C2—H2B108.6
O6—Nd1—O8ii74.54 (7)H2A—C2—H2B107.5
O1—Nd1—O8ii118.55 (6)C4—C3—C2113.4 (2)
O12iii—Nd1—O8ii74.18 (6)C4—C3—H3A108.9
O10—Nd1—O8ii144.10 (7)C2—C3—H3A108.9
O13—Nd1—O8ii77.57 (7)C4—C3—H3B108.9
O6—Nd1—O4i141.91 (6)C2—C3—H3B108.9
O1—Nd1—O4i70.07 (6)H3A—C3—H3B107.7
O12iii—Nd1—O4i72.07 (6)O3—C4—O4124.7 (2)
O10—Nd1—O4i109.09 (7)O3—C4—C3117.4 (2)
O13—Nd1—O4i139.23 (6)O4—C4—C3117.9 (2)
O8ii—Nd1—O4i106.80 (7)O6—C5—O5124.5 (2)
O6—Nd1—O9125.01 (6)O6—C5—C6116.9 (2)
O1—Nd1—O9101.55 (6)O5—C5—C6118.6 (2)
O12iii—Nd1—O969.79 (6)C5—C6—C7111.42 (19)
O10—Nd1—O951.14 (5)C5—C6—H6A109.3
O13—Nd1—O973.16 (6)C7—C6—H6A109.3
O8ii—Nd1—O9139.33 (6)C5—C6—H6B109.3
O4i—Nd1—O979.52 (6)C7—C6—H6B109.3
O6—Nd1—O7ii74.60 (6)H6A—C6—H6B108.0
O1—Nd1—O7ii69.63 (6)C8—C7—C6113.88 (19)
O12iii—Nd1—O7ii103.65 (6)C8—C7—H7A108.8
O10—Nd1—O7ii137.91 (6)C6—C7—H7A108.8
O13—Nd1—O7ii126.51 (6)C8—C7—H7B108.8
O8ii—Nd1—O7ii51.03 (5)C6—C7—H7B108.8
O4i—Nd1—O7ii77.60 (6)H7A—C7—H7B107.7
O9—Nd1—O7ii157.10 (5)O8—C8—O7119.3 (2)
O6—Nd1—C9100.77 (7)O8—C8—C7121.6 (2)
O1—Nd1—C986.90 (6)O7—C8—C7119.1 (2)
O3iv—Nd2—O5139.91 (6)Nd2ii—O7—Nd1ii110.39 (6)
O3iv—Nd2—O7ii142.19 (6)C8—O8—Nd1ii96.12 (14)
O5—Nd2—O7ii73.46 (6)C9—O9—Nd2vii154.61 (15)
O3iv—Nd2—O9v72.04 (6)C9—O9—Nd193.14 (14)
O5—Nd2—O9v69.73 (6)Nd2vii—O9—Nd1110.89 (6)
O7ii—Nd2—O9v143.02 (6)O10—C9—O9119.8 (2)
O3iv—Nd2—O1478.82 (6)O10—C9—C10120.3 (2)
O5—Nd2—O14141.14 (6)O9—C9—C10119.9 (2)
O7ii—Nd2—O1471.99 (6)O10—C9—Nd158.97 (13)
O9v—Nd2—O14143.70 (6)O9—C9—Nd160.83 (12)
O3iv—Nd2—O279.14 (6)C10—C9—Nd1177.48 (16)
O5—Nd2—O2100.71 (7)C9—C10—C11110.2 (2)
O7ii—Nd2—O2117.97 (5)C9—C10—H10A109.6
O9v—Nd2—O273.23 (6)C11—C10—H10A109.6
O14—Nd2—O280.54 (6)C9—C10—H10B109.6
O3iv—Nd2—O11vi73.97 (7)C11—C10—H10B109.6
O5—Nd2—O11vi112.64 (7)H10A—C10—H10B108.1
O7ii—Nd2—O11vi75.67 (6)C12—C11—C10110.2 (2)
O9v—Nd2—O11vi115.52 (6)C12—C11—H11A109.6
O14—Nd2—O11vi75.12 (6)C10—C11—H11A109.6
O2—Nd2—O11vi146.57 (6)C12—C11—H11B109.6
O3iv—Nd2—O12vi77.62 (6)C10—C11—H11B109.6
O5—Nd2—O12vi78.16 (6)H11A—C11—H11B108.1
O7ii—Nd2—O12vi99.78 (6)O11—C12—O12120.1 (2)
O9v—Nd2—O12vi69.42 (6)O11—C12—C11120.0 (2)
O14—Nd2—O12vi124.88 (6)O12—C12—C11120.0 (2)
O2—Nd2—O12vi140.50 (5)O11—C12—Nd2viii58.23 (13)
O11vi—Nd2—O12vi50.66 (6)O12—C12—Nd2viii61.82 (12)
O3iv—Nd2—O1123.87 (6)C11—C12—Nd2viii178.14 (19)
O5—Nd2—O179.78 (6)C12—O11—Nd2viii97.10 (15)
O7ii—Nd2—O168.40 (5)C12—O12—Nd1ix139.93 (15)
O9v—Nd2—O1107.75 (6)C12—O12—Nd2viii92.19 (14)
O14—Nd2—O171.42 (6)Nd1ix—O12—Nd2viii108.29 (6)
O2—Nd2—O150.20 (5)Nd1—O13—H13A110.3
O11vi—Nd2—O1136.68 (6)Nd1—O13—H13B126.0
O12vi—Nd2—O1157.24 (5)H13A—O13—H13B107.4
Nd1—O1—Nd2109.61 (6)Nd2—O14—H14A116.9
C1—O2—Nd298.00 (14)Nd2—O14—H14B114.4
O2—C1—O1118.5 (2)H14A—O14—H14B115.1
Nd1ix—O12—C12—O11121.6 (3)O11vi—Nd2—C1—O2105.89 (18)
Nd2viii—O12—C12—O110.7 (2)O12vi—Nd2—C1—O255.3 (2)
Nd1ix—O12—C12—C1158.3 (4)O1—Nd2—C1—O2175.3 (2)
Nd2viii—O12—C12—C11179.5 (2)O3iv—Nd2—C1—O1155.99 (13)
Nd1ix—O12—C12—Nd2viii122.2 (2)O5—Nd2—C1—O162.28 (14)
O11—C12—C11—C1080.7 (3)O7ii—Nd2—C1—O111.21 (14)
O12—C12—C11—C1099.1 (3)O9v—Nd2—C1—O1132.06 (14)
C12—C11—C10—C9178.8 (2)O14—Nd2—C1—O181.30 (14)
C11—C10—C9—O1096.7 (3)O2—Nd2—C1—O1175.3 (2)
C11—C10—C9—O984.0 (3)O11vi—Nd2—C1—O178.83 (18)
Nd1ii—O8—C8—O75.6 (3)O12vi—Nd2—C1—O1119.99 (19)
Nd1ii—O8—C8—C7175.7 (2)O2—C1—C2—C3124.9 (3)
Nd2ii—O7—C8—O8134.2 (2)O1—C1—C2—C357.6 (3)
Nd1ii—O7—C8—O85.5 (2)C1—C2—C3—C470.1 (3)
Nd2ii—O7—C8—C747.0 (4)C2—C3—C4—O319.3 (3)
Nd1ii—O7—C8—C7175.8 (2)C2—C3—C4—O4161.7 (2)
Nd2ii—O7—C8—Nd1ii128.8 (2)O5—C5—O6—Nd14.5 (5)
O8—C8—C7—C63.2 (3)C6—C5—O6—Nd1175.2 (2)
O7—C8—C7—C6175.5 (2)O1—Nd1—O6—C546.4 (3)
C8—C7—C6—C589.2 (3)O12iii—Nd1—O6—C5119.0 (3)
C7—C6—C5—O663.0 (3)O10—Nd1—O6—C5122.8 (3)
C7—C6—C5—O5116.7 (3)O4i—Nd1—O6—C518.6 (4)
O6—C5—O5—Nd211.3 (4)O8ii—Nd1—O6—C579.0 (3)
C6—C5—O5—Nd2169.02 (17)O13—Nd1—O6—C5158.8 (3)
O10—C9—O9—Nd2vii159.4 (3)O9—Nd1—O6—C5140.9 (3)
C10—C9—O9—Nd2vii21.3 (5)O7ii—Nd1—O6—C526.0 (3)
Nd1—C9—O9—Nd2vii161.5 (4)C9—Nd1—O6—C5130.4 (3)
O10—C9—O9—Nd12.1 (2)C8ii—Nd1—O6—C552.9 (3)
C10—C9—O9—Nd1177.2 (2)O1—C1—O2—Nd24.7 (2)
O9—C9—O10—Nd12.1 (3)C2—C1—O2—Nd2177.80 (19)
C10—C9—O10—Nd1177.1 (2)O3iv—Nd2—O2—C1151.29 (15)
C9—O10—Nd1—O6162.18 (17)O5—Nd2—O2—C169.47 (15)
C9—O10—Nd1—O1118.73 (17)O7ii—Nd2—O2—C17.35 (16)
C9—O10—Nd1—O12iii22.29 (19)O9v—Nd2—O2—C1134.35 (15)
C9—O10—Nd1—O4i57.09 (17)O14—Nd2—O2—C171.00 (15)
C9—O10—Nd1—O8ii124.48 (16)O11vi—Nd2—O2—C1114.54 (16)
C9—O10—Nd1—O1380.60 (17)O12vi—Nd2—O2—C1153.82 (13)
C9—O10—Nd1—O91.19 (14)O1—Nd2—O2—C12.63 (13)
C9—O10—Nd1—O7ii149.62 (14)C12vi—Nd2—O2—C1163.18 (16)
C9—O10—Nd1—C8ii169.77 (14)O2—C1—O1—Nd1177.7 (3)
C9—O9—Nd1—O623.94 (16)C2—C1—O1—Nd10.2 (5)
Nd2vii—O9—Nd1—O6147.68 (7)Nd2—C1—O1—Nd1177.8 (4)
C9—O9—Nd1—O157.08 (14)O2—C1—O1—Nd24.5 (2)
Nd2vii—O9—Nd1—O1131.30 (7)C2—C1—O1—Nd2177.97 (19)
C9—O9—Nd1—O12iii161.37 (15)O6—Nd1—O1—C1114.5 (4)
Nd2vii—O9—Nd1—O12iii10.24 (6)O12iii—Nd1—O1—C180.9 (4)
C9—O9—Nd1—O101.15 (14)O10—Nd1—O1—C134.5 (4)
Nd2vii—O9—Nd1—O10170.46 (11)O4i—Nd1—O1—C183.3 (4)
C9—O9—Nd1—O4i124.01 (15)O8ii—Nd1—O1—C1177.9 (4)
Nd2vii—O9—Nd1—O4i64.38 (7)O13—Nd1—O1—C168.3 (4)
C9—O9—Nd1—O8ii132.33 (15)O9—Nd1—O1—C19.0 (4)
Nd2vii—O9—Nd1—O8ii39.29 (13)O7ii—Nd1—O1—C1167.0 (4)
C9—O9—Nd1—O1386.61 (14)C9—Nd1—O1—C112.6 (4)
Nd2vii—O9—Nd1—O1385.03 (8)C8ii—Nd1—O1—C1175.7 (4)
C9—O9—Nd1—O7ii121.73 (17)O6—Nd1—O1—Nd267.86 (7)
Nd2vii—O9—Nd1—O7ii66.65 (16)O12iii—Nd1—O1—Nd296.78 (10)
Nd2vii—O9—Nd1—C9171.62 (18)O10—Nd1—O1—Nd2147.84 (8)
C9—O9—Nd1—C8ii163.81 (17)O4i—Nd1—O1—Nd294.36 (8)
Nd2vii—O9—Nd1—C8ii7.8 (2)O8ii—Nd1—O1—Nd24.44 (10)
O10—C9—Nd1—O617.66 (17)O13—Nd1—O1—Nd2114.26 (11)
O9—C9—Nd1—O6160.23 (14)O9—Nd1—O1—Nd2168.59 (6)
O10—C9—Nd1—O157.57 (17)O7ii—Nd1—O1—Nd210.63 (6)
O9—C9—Nd1—O1124.55 (14)C9—Nd1—O1—Nd2169.74 (8)
O10—C9—Nd1—O12iii160.39 (17)C8ii—Nd1—O1—Nd21.94 (7)
O9—C9—Nd1—O12iii17.50 (14)O3iv—Nd2—O1—C128.74 (16)
O9—C9—Nd1—O10177.9 (3)O5—Nd2—O1—C1115.94 (14)
O10—C9—Nd1—O4i127.27 (17)O7ii—Nd2—O1—C1167.95 (15)
O9—C9—Nd1—O4i54.85 (14)O9v—Nd2—O1—C151.20 (14)
O10—C9—Nd1—O8ii95.1 (2)O14—Nd2—O1—C190.55 (14)
O9—C9—Nd1—O8ii82.8 (2)O2—Nd2—O1—C12.57 (13)
O10—C9—Nd1—O1392.39 (16)O11vi—Nd2—O1—C1131.80 (14)
O9—C9—Nd1—O1385.29 (14)O12vi—Nd2—O1—C1130.08 (16)
O10—C9—Nd1—O9177.9 (3)C12vi—Nd2—O1—C1161.89 (16)
O10—C9—Nd1—O7ii58.5 (2)O3iv—Nd2—O1—Nd1150.34 (7)
O9—C9—Nd1—O7ii123.67 (17)O5—Nd2—O1—Nd164.98 (7)
C5—O5—Nd2—O3iv152.9 (2)O7ii—Nd2—O1—Nd111.13 (6)
C5—O5—Nd2—O7ii49.1 (3)O9v—Nd2—O1—Nd1129.71 (7)
C5—O5—Nd2—O9v134.6 (3)O14—Nd2—O1—Nd188.53 (8)
C5—O5—Nd2—O1421.0 (3)O2—Nd2—O1—Nd1178.34 (11)
C5—O5—Nd2—O267.1 (3)O11vi—Nd2—O1—Nd147.28 (12)
C5—O5—Nd2—O11vi115.3 (3)O12vi—Nd2—O1—Nd150.84 (17)
C5—O5—Nd2—O12vi153.2 (3)C12vi—Nd2—O1—Nd117.19 (19)
C5—O5—Nd2—O121.3 (3)C1—Nd2—O1—Nd1179.08 (17)
C5—O5—Nd2—C12vi134.2 (3)O4—C4—O3—Nd2iv40.0 (4)
C5—O5—Nd2—C143.9 (3)C3—C4—O3—Nd2iv141.1 (2)
O3iv—Nd2—C1—O228.72 (15)O3—C4—O4—Nd1i5.9 (4)
O5—Nd2—C1—O2113.01 (15)C3—C4—O4—Nd1i175.16 (16)
O7ii—Nd2—C1—O2173.50 (14)O12—C12—O11—Nd2viii0.7 (3)
O9v—Nd2—C1—O243.23 (15)C11—C12—O11—Nd2viii179.5 (2)
O14—Nd2—C1—O2103.41 (15)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+2, y+1, z+2; (iii) x, y1, z; (iv) x+2, y+1, z+1; (v) x+1, y, z; (vi) x+1, y1, z; (vii) x1, y, z; (viii) x1, y+1, z; (ix) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O13—H13A···O5vii0.822.042.845 (3)169
O13—H13B···O8vii0.822.382.917 (5)124
O14—H14A···O2iv0.821.912.731 (4)173
O14—H14B···O4i0.822.062.868 (4)169
Symmetry codes: (i) x+1, y+1, z+1; (iv) x+2, y+1, z+1; (vii) x1, y, z.
 

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