Literature DB >> 21522305

Poly[diaqua-tris-(μ(4)-1,3-phenyl-enediacetato)-dineodymium(III)].

Zhu-Qing Gao, Dong-Yu Lv, Hong-Ji Li, Jin-Zhong Gu.   

Abstract

In the title coordination polymer, [Nd(2)(C(10)H(8)O(4))(3)(H(2)O)(2)](n), each of the two Nd(III) ions is nine-coordinated by eight O atoms from six different 2,2'-(m-phenyl-ene)diacetate (pda) bivalent anions and by one O atom from a water mol-ecule, forming a distorted tricapped trigonal-prismatic coordination geometry. Eight Nd(III) ions and 12 pda ligands form a large [Nd(8)(pda)(12)] ring, and four Nd(III) ions and six pda ligands form a small [Nd(4)(pda)(6)] ring. These rings are further connected by the coordination inter-actions of pda ligands and Nd(III), generating a three-dimensional supra-molecular framework.

Entities:  

Year:  2011        PMID： 21522305      PMCID： PMC3052131          DOI： 10.1107/S1600536811006817

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For the isotypic Ce analogue, see: Gao et al. (2011 ▶). For the structures and properties of lanthanide coordination compounds, see: Xiao et al. (2008 ▶); Lv et al. (2010 ▶). For bond lengths and angles in other complexes with nine-coordinate NdIII, see: Xiao et al. (2008 ▶); Wang et al. (2009 ▶).

Experimental

Crystal data

[Nd2(C10H8O4)3(H2O)2] M = 901.00 Triclinic, a = 10.4846 (13) Å b = 11.9660 (16) Å c = 12.3514 (16) Å α = 105.619 (5)° β = 97.202 (5)° γ = 92.625 (6)° V = 1475.5 (3) Å3 Z = 2 Mo Kα radiation μ = 3.55 mm−1 T = 296 K 0.24 × 0.22 × 0.20 mm

Data collection

Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 1997 ▶) T min = 0.516, T max = 0.580 7865 measured reflections 5315 independent reflections 4806 reflections with I > 2σ(I) R int = 0.013

Refinement

R[F 2 > 2σ(F 2)] = 0.021 wR(F 2) = 0.054 S = 1.03 5315 reflections 415 parameters 3 restraints H-atom parameters constrained Δρmax = 0.64 e Å−3 Δρmin = −0.76 e Å−3 Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶) and DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶). Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811006817/wm2461sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536811006817/wm2461Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Nd2(C10H8O4)3(H2O)2]Z = 2
Mr = 901.00F(000) = 880
Triclinic, P1Dx = 2.028 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.4846 (13) ÅCell parameters from 5315 reflections
b = 11.9660 (16) Åθ = 1.7–25.3°
c = 12.3514 (16) ŵ = 3.55 mm−1
α = 105.619 (5)°T = 296 K
β = 97.202 (5)°Block, colorless
γ = 92.625 (6)°0.24 × 0.22 × 0.20 mm
V = 1475.5 (3) Å3
Bruker SMART CCD diffractometer5315 independent reflections
Radiation source: fine-focus sealed tube4806 reflections with I > 2σ(I)
graphiteRint = 0.013
Detector resolution: 0 pixels mm-1θmax = 25.3°, θmin = 1.7°
φ and ω scansh = −12→12
Absorption correction: multi-scan (SADABS; Bruker, 1997)k = −12→14
Tmin = 0.516, Tmax = 0.580l = −14→14
7865 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.021Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.054H-atom parameters constrained
S = 1.03w = 1/[σ2(Fo2) + (0.0265P)2 + 1.487P] where P = (Fo2 + 2Fc2)/3
5315 reflections(Δ/σ)max = 0.001
415 parametersΔρmax = 0.64 e Å−3
3 restraintsΔρmin = −0.76 e Å−3
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.
xyzUiso*/Ueq
Nd10.029517 (16)0.026539 (14)0.183517 (13)0.01602 (6)
Nd20.306439 (16)0.036922 (15)0.455279 (14)0.01818 (6)
C10.0706 (3)0.8190 (3)0.2608 (3)0.0194 (7)
C20.1023 (4)0.7042 (3)0.2819 (3)0.0314 (9)
H2A0.17660.67870.24530.038*
H2B0.12700.71690.36290.038*
C3−0.0041 (4)0.6073 (3)0.2411 (3)0.0244 (8)
C4−0.1173 (4)0.6146 (3)0.2887 (3)0.0340 (9)
H4−0.12750.68020.34680.041*
C5−0.2149 (4)0.5267 (3)0.2516 (4)0.0368 (9)
H5−0.28970.53240.28530.044*
C6−0.2021 (4)0.4299 (3)0.1643 (3)0.0330 (9)
H6−0.26910.37140.13830.040*
C7−0.0910 (4)0.4192 (3)0.1154 (3)0.0265 (8)
C80.0082 (4)0.5078 (3)0.1549 (3)0.0252 (8)
H80.08430.50020.12300.030*
C9−0.0755 (4)0.3102 (3)0.0240 (3)0.0326 (9)
H9A−0.15570.2884−0.02790.039*
H9B−0.00920.3272−0.01880.039*
C10−0.0404 (3)0.2088 (3)0.0679 (3)0.0220 (7)
C11−0.2153 (3)0.7492 (3)0.5878 (3)0.0243 (7)
C12−0.1546 (4)0.6428 (3)0.6052 (4)0.0475 (12)
H12A−0.07710.63530.56920.057*
H12B−0.12800.65580.68600.057*
C13−0.2359 (4)0.5289 (3)0.5614 (3)0.0322 (9)
C14−0.3482 (4)0.5093 (3)0.6035 (3)0.0393 (10)
H14−0.37550.56810.65970.047*
C15−0.4198 (4)0.4044 (3)0.5636 (3)0.0334 (9)
H15−0.49550.39270.59240.040*
C16−0.3801 (3)0.3155 (3)0.4805 (3)0.0280 (8)
H16−0.43010.24490.45260.034*
C17−0.2661 (3)0.3315 (3)0.4388 (3)0.0232 (7)
C18−0.1952 (3)0.4387 (3)0.4794 (3)0.0258 (8)
H18−0.11900.45060.45120.031*
C19−0.2165 (3)0.2365 (3)0.3508 (3)0.0257 (8)
H19A−0.14190.26900.32710.031*
H19B−0.28250.21100.28480.031*
C20−0.1792 (3)0.1314 (3)0.3893 (3)0.0194 (7)
C210.4696 (3)0.1360 (3)−0.3232 (3)0.0249 (8)
C220.5520 (3)0.2052 (3)−0.2133 (3)0.0289 (8)
H22A0.62370.1609−0.19730.035*
H22B0.58730.2772−0.22380.035*
C230.4804 (3)0.2339 (3)−0.1121 (3)0.0272 (8)
C240.3884 (5)0.3138 (4)−0.1054 (4)0.0496 (12)
H240.37330.3507−0.16260.060*
H1W−0.24060.02180.06350.060*
H2W−0.2406−0.08020.11250.060*
H4W0.10940.09900.61100.060*
H3W0.02940.08960.50350.060*
C250.3193 (5)0.3397 (4)−0.0164 (4)0.0574 (14)
H250.25610.3919−0.01460.069*
C260.3432 (4)0.2885 (4)0.0707 (3)0.0409 (10)
H260.29720.30750.13190.049*
C270.4349 (3)0.2093 (3)0.0676 (3)0.0270 (8)
C280.5025 (3)0.1825 (3)−0.0248 (3)0.0261 (8)
H280.56410.1286−0.02780.031*
C290.4652 (4)0.1561 (4)0.1644 (3)0.0348 (9)
H29A0.50150.21830.23100.042*
H29B0.53240.10400.14590.042*
C300.3579 (3)0.0892 (3)0.1978 (3)0.0242 (7)
O10.1566 (2)0.9053 (2)0.2968 (2)0.0274 (5)
O2−0.0342 (2)0.8302 (2)0.2080 (2)0.0284 (6)
O3−0.0371 (3)0.10987 (19)−0.0009 (2)0.0300 (6)
O4−0.0146 (3)0.2218 (2)0.1716 (2)0.0346 (6)
O5−0.1595 (2)0.84733 (19)0.64899 (19)0.0252 (5)
O6−0.3093 (2)0.7452 (2)0.5148 (2)0.0312 (6)
O7−0.0998 (2)0.0686 (2)0.3388 (2)0.0274 (5)
O8−0.2271 (3)0.1114 (2)0.4695 (2)0.0365 (6)
O90.5273 (2)0.1006 (2)−0.41110 (18)0.0243 (5)
O100.3524 (3)0.1179 (3)−0.3299 (2)0.0445 (7)
O110.3881 (2)0.0619 (2)0.2879 (2)0.0300 (6)
O120.2492 (2)0.0633 (2)0.1359 (2)0.0308 (6)
O13−0.2057 (2)−0.0221 (2)0.1036 (2)0.0355 (6)
O140.1067 (2)0.1022 (2)0.5416 (2)0.0334 (6)
U11U22U33U12U13U23
Nd10.02272 (10)0.01120 (9)0.01384 (9)0.00192 (7)0.00258 (7)0.00292 (7)
Nd20.02183 (10)0.01863 (10)0.01494 (10)0.00167 (7)0.00283 (7)0.00602 (7)
C10.0306 (18)0.0139 (16)0.0136 (15)0.0028 (14)0.0065 (14)0.0017 (13)
C20.043 (2)0.0156 (18)0.037 (2)0.0046 (15)−0.0013 (17)0.0105 (16)
C30.038 (2)0.0119 (16)0.0242 (18)0.0036 (14)0.0010 (15)0.0084 (14)
C40.060 (3)0.0161 (18)0.029 (2)0.0100 (17)0.0159 (19)0.0066 (15)
C50.044 (2)0.030 (2)0.046 (2)0.0107 (18)0.0183 (19)0.0189 (19)
C60.041 (2)0.0188 (19)0.040 (2)−0.0011 (16)−0.0013 (18)0.0131 (17)
C70.045 (2)0.0113 (17)0.0229 (18)0.0071 (15)−0.0007 (16)0.0063 (14)
C80.037 (2)0.0177 (17)0.0242 (17)0.0095 (15)0.0074 (15)0.0093 (14)
C90.057 (3)0.0178 (18)0.0218 (18)0.0051 (17)0.0011 (17)0.0055 (15)
C100.0297 (18)0.0129 (17)0.0227 (18)0.0016 (13)0.0054 (14)0.0032 (14)
C110.0265 (18)0.0175 (18)0.0254 (18)−0.0028 (14)0.0044 (15)0.0005 (14)
C120.039 (2)0.016 (2)0.073 (3)0.0030 (17)−0.018 (2)−0.0002 (19)
C130.034 (2)0.0155 (18)0.041 (2)0.0040 (15)−0.0102 (17)0.0048 (16)
C140.048 (3)0.029 (2)0.036 (2)0.0154 (19)0.0028 (19)−0.0006 (17)
C150.032 (2)0.030 (2)0.039 (2)0.0066 (16)0.0131 (17)0.0079 (17)
C160.0314 (19)0.0191 (18)0.033 (2)0.0000 (15)0.0033 (16)0.0077 (15)
C170.0307 (19)0.0192 (17)0.0210 (17)0.0042 (14)0.0007 (14)0.0087 (14)
C180.0224 (17)0.0199 (18)0.035 (2)0.0017 (14)−0.0010 (15)0.0103 (15)
C190.0315 (19)0.0219 (18)0.0252 (18)0.0034 (15)0.0049 (15)0.0082 (15)
C200.0236 (17)0.0151 (16)0.0167 (16)−0.0015 (13)0.0018 (13)0.0007 (13)
C210.0294 (19)0.030 (2)0.0158 (17)0.0037 (15)0.0031 (14)0.0064 (15)
C220.0305 (19)0.035 (2)0.0192 (18)0.0000 (16)0.0027 (15)0.0038 (16)
C230.033 (2)0.030 (2)0.0161 (17)−0.0001 (15)0.0021 (15)0.0036 (15)
C240.069 (3)0.055 (3)0.039 (2)0.029 (2)0.026 (2)0.026 (2)
C250.077 (3)0.063 (3)0.050 (3)0.043 (3)0.037 (3)0.027 (2)
C260.056 (3)0.040 (2)0.030 (2)0.010 (2)0.0212 (19)0.0081 (18)
C270.0319 (19)0.0269 (19)0.0227 (18)−0.0050 (15)0.0032 (15)0.0094 (15)
C280.0246 (18)0.0267 (19)0.0253 (18)−0.0011 (14)0.0007 (15)0.0060 (15)
C290.030 (2)0.047 (2)0.030 (2)−0.0072 (17)0.0004 (16)0.0188 (18)
C300.0282 (19)0.0257 (19)0.0193 (17)0.0035 (15)0.0082 (15)0.0046 (15)
O10.0361 (14)0.0165 (12)0.0282 (13)−0.0012 (10)−0.0038 (11)0.0079 (10)
O20.0297 (13)0.0205 (13)0.0363 (14)0.0001 (10)−0.0006 (11)0.0126 (11)
O30.0495 (16)0.0138 (12)0.0258 (13)0.0040 (11)0.0117 (12)0.0010 (10)
O40.0642 (19)0.0190 (13)0.0199 (13)0.0106 (12)−0.0007 (12)0.0060 (10)
O50.0326 (13)0.0158 (12)0.0228 (12)0.0005 (10)−0.0011 (10)0.0001 (10)
O60.0322 (14)0.0198 (13)0.0356 (14)−0.0023 (10)−0.0064 (12)0.0035 (11)
O70.0340 (14)0.0250 (13)0.0264 (13)0.0103 (11)0.0121 (11)0.0080 (11)
O80.0593 (18)0.0261 (14)0.0353 (15)0.0142 (13)0.0287 (14)0.0160 (12)
O90.0316 (13)0.0260 (13)0.0162 (11)0.0074 (10)0.0064 (10)0.0050 (10)
O100.0263 (15)0.073 (2)0.0265 (14)−0.0010 (14)0.0021 (12)0.0016 (14)
O110.0310 (14)0.0403 (15)0.0247 (13)0.0063 (11)0.0083 (11)0.0165 (12)
O120.0262 (13)0.0424 (16)0.0236 (13)−0.0044 (11)0.0031 (11)0.0100 (12)
O130.0298 (14)0.0386 (16)0.0362 (15)−0.0043 (12)−0.0032 (12)0.0119 (12)
O140.0334 (14)0.0384 (16)0.0316 (14)0.0090 (12)0.0078 (11)0.0129 (12)
Nd1—O3i2.415 (2)C15—C161.384 (5)
Nd1—O5ii2.416 (2)C15—H150.9300
Nd1—O42.441 (2)C16—C171.384 (5)
Nd1—O72.442 (2)C16—H160.9300
Nd1—O122.496 (2)C17—C181.387 (5)
Nd1—O132.519 (2)C17—C191.508 (5)
Nd1—O2iii2.520 (2)C18—H180.9300
Nd1—O1iii2.576 (2)C19—C201.510 (5)
Nd1—O32.749 (2)C19—H19A0.9700
Nd2—O8iv2.377 (2)C19—H19B0.9700
Nd2—O112.418 (2)C20—O81.239 (4)
Nd2—O9v2.462 (2)C20—O71.257 (4)
Nd2—O1iii2.475 (2)C21—O101.227 (4)
Nd2—O142.529 (3)C21—O91.290 (4)
Nd2—O6ii2.531 (2)C21—C221.519 (5)
Nd2—O10vi2.542 (3)C21—Nd2vii2.952 (3)
Nd2—O5ii2.571 (2)C22—C231.506 (5)
Nd2—O9vi2.621 (2)C22—H22A0.9700
C1—O21.237 (4)C22—H22B0.9700
C1—O11.282 (4)C23—C281.380 (5)
C1—C21.510 (4)C23—C241.383 (5)
C2—C31.506 (5)C24—C251.366 (6)
C2—H2A0.9700C24—H240.9300
C2—H2B0.9700C25—C261.377 (6)
C3—C41.385 (5)C25—H250.9300
C3—C81.392 (5)C26—C271.377 (5)
C4—C51.374 (6)C26—H260.9300
C4—H40.9300C27—C281.391 (5)
C5—C61.378 (5)C27—C291.507 (5)
C5—H50.9300C28—H280.9300
C6—C71.373 (5)C29—C301.512 (5)
C6—H60.9300C29—H29A0.9700
C7—C81.392 (5)C29—H29B0.9700
C7—C91.508 (5)C30—O111.251 (4)
C8—H80.9300C30—O121.266 (4)
C9—C101.499 (5)O1—Nd2viii2.475 (2)
C9—H9A0.9700O1—Nd1viii2.576 (2)
C9—H9B0.9700O2—Nd1viii2.520 (2)
C10—O41.241 (4)O3—Nd1i2.415 (2)
C10—O31.263 (4)O5—Nd1ii2.416 (2)
C11—O61.239 (4)O5—Nd2ii2.571 (2)
C11—O51.281 (4)O6—Nd2ii2.531 (2)
C11—C121.503 (5)O8—Nd2iv2.377 (2)
C12—C131.502 (5)O9—Nd2v2.462 (2)
C12—H12A0.9700O9—Nd2vii2.621 (2)
C12—H12B0.9700O10—Nd2vii2.542 (3)
C13—C141.381 (6)O13—H1W0.8758
C13—C181.391 (5)O13—H2W0.8110
C14—C151.367 (6)O14—H4W0.8644
C14—H140.9300O14—H3W0.8693
O3i—Nd1—O5ii144.23 (9)C7—C9—H9B108.7
O3i—Nd1—O4113.33 (8)H9A—C9—H9B107.6
O5ii—Nd1—O476.46 (8)O4—C10—O3119.9 (3)
O3i—Nd1—O7141.44 (8)O4—C10—C9120.3 (3)
O5ii—Nd1—O771.16 (8)O3—C10—C9119.9 (3)
O4—Nd1—O784.45 (8)O6—C11—O5120.5 (3)
O3i—Nd1—O1274.32 (8)O6—C11—C12123.3 (3)
O5ii—Nd1—O1271.68 (8)O5—C11—C12116.0 (3)
O4—Nd1—O1288.05 (9)C13—C12—C11117.0 (3)
O7—Nd1—O12142.83 (8)C13—C12—H12A108.0
O3i—Nd1—O1377.43 (9)C11—C12—H12A108.0
O5ii—Nd1—O13138.26 (8)C13—C12—H12B108.0
O4—Nd1—O1383.71 (9)C11—C12—H12B108.0
O7—Nd1—O1370.65 (8)H12A—C12—H12B107.3
O12—Nd1—O13144.46 (8)C14—C13—C18118.6 (3)
O3i—Nd1—O2iii75.03 (8)C14—C13—C12121.8 (4)
O5ii—Nd1—O2iii112.51 (8)C18—C13—C12119.6 (4)
O4—Nd1—O2iii153.02 (9)C15—C14—C13120.8 (4)
O7—Nd1—O2iii75.35 (8)C15—C14—H14119.6
O12—Nd1—O2iii118.83 (8)C13—C14—H14119.6
O13—Nd1—O2iii72.90 (8)C14—C15—C16120.4 (4)
O3i—Nd1—O1iii94.43 (8)C14—C15—H15119.8
O5ii—Nd1—O1iii69.57 (8)C16—C15—H15119.8
O4—Nd1—O1iii146.02 (8)C15—C16—C17120.1 (3)
O7—Nd1—O1iii85.44 (8)C15—C16—H16119.9
O12—Nd1—O1iii80.76 (8)C17—C16—H16119.9
O13—Nd1—O1iii122.85 (8)C16—C17—C18118.8 (3)
O2iii—Nd1—O1iii50.71 (7)C16—C17—C19122.3 (3)
O3i—Nd1—O364.78 (9)C18—C17—C19118.9 (3)
O5ii—Nd1—O3119.11 (7)C17—C18—C13121.2 (3)
O4—Nd1—O348.91 (7)C17—C18—H18119.4
O7—Nd1—O3119.10 (8)C13—C18—H18119.4
O12—Nd1—O380.67 (8)C17—C19—C20115.1 (3)
O13—Nd1—O367.92 (8)C17—C19—H19A108.5
O2iii—Nd1—O3128.34 (7)C20—C19—H19A108.5
O1iii—Nd1—O3155.25 (8)C17—C19—H19B108.5
O8iv—Nd2—O11140.87 (9)C20—C19—H19B108.5
O8iv—Nd2—O9v80.82 (8)H19A—C19—H19B107.5
O11—Nd2—O9v72.33 (8)O8—C20—O7123.0 (3)
O8iv—Nd2—O1iii74.90 (9)O8—C20—C19118.7 (3)
O11—Nd2—O1iii76.48 (8)O7—C20—C19118.3 (3)
O9v—Nd2—O1iii88.60 (8)O10—C21—O9120.9 (3)
O8iv—Nd2—O1471.83 (9)O10—C21—C22121.8 (3)
O11—Nd2—O14131.77 (8)O9—C21—C22117.3 (3)
O9v—Nd2—O14152.59 (8)C23—C22—C21114.1 (3)
O1iii—Nd2—O1485.98 (8)C23—C22—H22A108.7
O8iv—Nd2—O6ii140.58 (9)C21—C22—H22A108.7
O11—Nd2—O6ii77.47 (9)C23—C22—H22B108.7
O9v—Nd2—O6ii132.09 (8)C21—C22—H22B108.7
O1iii—Nd2—O6ii119.41 (8)H22A—C22—H22B107.6
O14—Nd2—O6ii72.89 (9)C28—C23—C24118.0 (3)
O8iv—Nd2—O10vi73.99 (10)C28—C23—C22122.3 (3)
O11—Nd2—O10vi139.31 (9)C24—C23—C22119.7 (3)
O9v—Nd2—O10vi103.61 (8)C25—C24—C23121.3 (4)
O1iii—Nd2—O10vi144.10 (9)C25—C24—H24119.4
O14—Nd2—O10vi67.60 (8)C23—C24—H24119.4
O6ii—Nd2—O10vi76.78 (9)C24—C25—C26120.1 (4)
O8iv—Nd2—O5ii123.39 (9)C24—C25—H25120.0
O11—Nd2—O5ii67.91 (8)C26—C25—H25120.0
O9v—Nd2—O5ii137.67 (7)C25—C26—C27120.4 (4)
O1iii—Nd2—O5ii68.79 (7)C25—C26—H26119.8
O14—Nd2—O5ii63.87 (8)C27—C26—H26119.8
O6ii—Nd2—O5ii50.79 (7)C26—C27—C28118.7 (3)
O10vi—Nd2—O5ii115.78 (9)C26—C27—C29120.8 (3)
O8iv—Nd2—O9vi99.49 (9)C28—C27—C29120.5 (3)
O11—Nd2—O9vi94.98 (8)C23—C28—C27121.6 (3)
O9v—Nd2—O9vi65.88 (9)C23—C28—H28119.2
O1iii—Nd2—O9vi154.47 (8)C27—C28—H28119.2
O14—Nd2—O9vi116.39 (8)C27—C29—C30119.0 (3)
O6ii—Nd2—O9vi80.98 (7)C27—C29—H29A107.6
O10vi—Nd2—O9vi50.17 (8)C30—C29—H29A107.6
O5ii—Nd2—O9vi130.65 (7)C27—C29—H29B107.6
O2—C1—O1120.1 (3)C30—C29—H29B107.6
O2—C1—C2121.6 (3)H29A—C29—H29B107.0
O1—C1—C2118.3 (3)O11—C30—O12125.0 (3)
C3—C2—C1115.8 (3)O11—C30—C29114.2 (3)
C3—C2—H2A108.3O12—C30—C29120.8 (3)
C1—C2—H2A108.3C1—O1—Nd2viii149.4 (2)
C3—C2—H2B108.3C1—O1—Nd1viii92.21 (19)
C1—C2—H2B108.3Nd2viii—O1—Nd1viii109.46 (8)
H2A—C2—H2B107.4C1—O2—Nd1viii96.0 (2)
C4—C3—C8118.0 (3)C10—O3—Nd1i155.9 (2)
C4—C3—C2120.9 (3)C10—O3—Nd187.89 (19)
C8—C3—C2121.1 (3)Nd1i—O3—Nd1115.22 (9)
C5—C4—C3121.1 (4)C10—O4—Nd1103.32 (19)
C5—C4—H4119.4C11—O5—Nd1ii153.8 (2)
C3—C4—H4119.4C11—O5—Nd2ii92.8 (2)
C4—C5—C6120.1 (4)Nd1ii—O5—Nd2ii111.55 (9)
C4—C5—H5120.0C11—O6—Nd2ii95.8 (2)
C6—C5—H5120.0C20—O7—Nd1147.9 (2)
C7—C6—C5120.5 (4)C20—O8—Nd2iv144.9 (2)
C7—C6—H6119.7C21—O9—Nd2v132.8 (2)
C5—C6—H6119.7C21—O9—Nd2vii91.54 (19)
C6—C7—C8119.0 (3)Nd2v—O9—Nd2vii114.12 (8)
C6—C7—C9120.0 (3)C21—O10—Nd2vii96.9 (2)
C8—C7—C9120.9 (3)C30—O11—Nd2143.5 (2)
C7—C8—C3121.3 (3)C30—O12—Nd1131.1 (2)
C7—C8—H8119.4Nd1—O13—H1W116.9
C3—C8—H8119.4Nd1—O13—H2W117.1
C10—C9—C7114.1 (3)H1W—O13—H2W125.7
C10—C9—H9A108.7Nd2—O14—H4W113.5
C7—C9—H9A108.7Nd2—O14—H3W123.7
C10—C9—H9B108.7H4W—O14—H3W113.8
O2—C1—C2—C3−3.6 (5)O1iii—Nd1—O3—C10−137.8 (2)
O1—C1—C2—C3178.0 (3)C1iii—Nd1—O3—C10171.40 (19)
C1—C2—C3—C4−65.1 (5)O3i—Nd1—O3—Nd1i0.0
C1—C2—C3—C8115.0 (4)O5ii—Nd1—O3—Nd1i139.84 (10)
C8—C3—C4—C5−0.4 (5)O4—Nd1—O3—Nd1i172.57 (17)
C2—C3—C4—C5179.8 (3)O7—Nd1—O3—Nd1i−136.64 (10)
C3—C4—C5—C6−1.1 (6)O12—Nd1—O3—Nd1i76.98 (11)
C4—C5—C6—C71.4 (6)O13—Nd1—O3—Nd1i−86.07 (11)
C5—C6—C7—C8−0.2 (5)O2iii—Nd1—O3—Nd1i−42.57 (15)
C5—C6—C7—C9176.9 (3)O1iii—Nd1—O3—Nd1i35.2 (2)
C6—C7—C8—C3−1.3 (5)C1iii—Nd1—O3—Nd1i−15.6 (2)
C9—C7—C8—C3−178.4 (3)O3—C10—O4—Nd1−0.8 (4)
C4—C3—C8—C71.6 (5)C9—C10—O4—Nd1179.2 (3)
C2—C3—C8—C7−178.6 (3)O3i—Nd1—O4—C107.8 (3)
C6—C7—C9—C10−78.4 (4)O5ii—Nd1—O4—C10151.4 (2)
C8—C7—C9—C1098.7 (4)O7—Nd1—O4—C10−136.7 (2)
C7—C9—C10—O4−6.9 (5)O12—Nd1—O4—C1079.8 (2)
C7—C9—C10—O3173.1 (3)O13—Nd1—O4—C10−65.6 (2)
O6—C11—C12—C13−21.0 (6)O2iii—Nd1—O4—C10−95.4 (3)
O5—C11—C12—C13162.9 (4)O1iii—Nd1—O4—C10150.0 (2)
C11—C12—C13—C14−62.9 (6)O3—Nd1—O4—C100.4 (2)
C11—C12—C13—C18119.6 (4)C1iii—Nd1—O4—C10−162.0 (3)
C18—C13—C14—C15−1.6 (6)O6—C11—O5—Nd1ii156.4 (4)
C12—C13—C14—C15−179.1 (4)C12—C11—O5—Nd1ii−27.5 (7)
C13—C14—C15—C160.5 (6)O6—C11—O5—Nd2ii−2.8 (3)
C14—C15—C16—C171.3 (6)C12—C11—O5—Nd2ii173.3 (3)
C15—C16—C17—C18−1.9 (5)O5—C11—O6—Nd2ii2.9 (4)
C15—C16—C17—C19178.2 (3)C12—C11—O6—Nd2ii−173.0 (4)
C16—C17—C18—C130.8 (5)O8—C20—O7—Nd1175.1 (3)
C19—C17—C18—C13−179.3 (3)C19—C20—O7—Nd1−5.4 (6)
C14—C13—C18—C170.9 (5)O3i—Nd1—O7—C20−105.2 (4)
C12—C13—C18—C17178.5 (3)O5ii—Nd1—O7—C2093.5 (4)
C16—C17—C19—C20−65.2 (4)O4—Nd1—O7—C2015.9 (4)
C18—C17—C19—C20114.9 (4)O12—Nd1—O7—C2095.2 (4)
C17—C19—C20—O822.9 (5)O13—Nd1—O7—C20−69.4 (4)
C17—C19—C20—O7−156.6 (3)O2iii—Nd1—O7—C20−146.1 (4)
O10—C21—C22—C238.0 (5)O1iii—Nd1—O7—C20163.4 (4)
O9—C21—C22—C23−174.6 (3)O3—Nd1—O7—C20−20.0 (4)
C21—C22—C23—C28109.6 (4)C1iii—Nd1—O7—C20−170.7 (4)
C21—C22—C23—C24−70.0 (5)O7—C20—O8—Nd2iv−36.4 (6)
C28—C23—C24—C25−1.3 (7)C19—C20—O8—Nd2iv144.1 (3)
C22—C23—C24—C25178.3 (4)O10—C21—O9—Nd2v−118.1 (3)
C23—C24—C25—C262.0 (8)C22—C21—O9—Nd2v64.4 (4)
C24—C25—C26—C27−1.3 (8)O10—C21—O9—Nd2vii7.5 (4)
C25—C26—C27—C280.1 (6)C22—C21—O9—Nd2vii−170.0 (3)
C25—C26—C27—C29177.8 (4)O9—C21—O10—Nd2vii−7.8 (4)
C24—C23—C28—C270.1 (6)C22—C21—O10—Nd2vii169.6 (3)
C22—C23—C28—C27−179.5 (3)O12—C30—O11—Nd2−36.9 (6)
C26—C27—C28—C230.5 (5)C29—C30—O11—Nd2144.4 (3)
C29—C27—C28—C23−177.2 (3)O8iv—Nd2—O11—C30100.6 (4)
C26—C27—C29—C3058.1 (5)O9v—Nd2—O11—C30149.5 (4)
C28—C27—C29—C30−124.2 (4)O1iii—Nd2—O11—C3056.7 (4)
C27—C29—C30—O11−170.9 (3)O14—Nd2—O11—C30−15.2 (4)
C27—C29—C30—O1210.4 (5)O6ii—Nd2—O11—C30−68.1 (4)
O2—C1—O1—Nd2viii126.3 (4)O10vi—Nd2—O11—C30−120.0 (4)
C2—C1—O1—Nd2viii−55.3 (6)O5ii—Nd2—O11—C30−15.6 (4)
O2—C1—O1—Nd1viii−9.9 (3)O9vi—Nd2—O11—C30−147.7 (4)
C2—C1—O1—Nd1viii168.6 (3)C11ii—Nd2—O11—C30−43.0 (4)
O1—C1—O2—Nd1viii10.1 (3)C21vi—Nd2—O11—C30−134.6 (4)
C2—C1—O2—Nd1viii−168.2 (3)O11—C30—O12—Nd127.9 (5)
O4—C10—O3—Nd1i−163.6 (4)C29—C30—O12—Nd1−153.5 (3)
C9—C10—O3—Nd1i16.4 (8)O3i—Nd1—O12—C30−142.6 (3)
O4—C10—O3—Nd10.7 (3)O5ii—Nd1—O12—C3026.1 (3)
C9—C10—O3—Nd1−179.3 (3)O4—Nd1—O12—C30102.4 (3)
O3i—Nd1—O3—C10−173.0 (3)O7—Nd1—O12—C3024.3 (4)
O5ii—Nd1—O3—C10−33.2 (2)O13—Nd1—O12—C30178.8 (3)
O4—Nd1—O3—C10−0.43 (19)O2iii—Nd1—O12—C30−80.1 (3)
O7—Nd1—O3—C1050.4 (2)O1iii—Nd1—O12—C30−45.4 (3)
O12—Nd1—O3—C10−96.0 (2)O3—Nd1—O12—C30151.1 (3)
O13—Nd1—O3—C10100.9 (2)C1iii—Nd1—O12—C30−63.8 (3)
O2iii—Nd1—O3—C10144.43 (19)
D—H···AD—HH···AD···AD—H···A
O13—H1W···O12i0.882.392.838 (3)112
O14—H4W···O7iv0.862.262.829 (3)124
O14—H4W···O2ii0.862.413.177 (4)148
O14—H3W···O70.872.253.024 (3)149
O14—H3W···O14iv0.872.533.100 (5)123
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
O13—H1W⋯O12i0.882.392.838 (3)112
O14—H4W⋯O7ii0.862.262.829 (3)124
O14—H4W⋯O2iii0.862.413.177 (4)148
O14—H3W⋯O70.872.253.024 (3)149
O14—H3W⋯O14ii0.872.533.100 (5)123

Symmetry codes: (i) ; (ii) ; (iii) .

  4 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Guest-driven luminescence: lanthanide-based host-guest systems with bimodal emissive properties based on a guest-driven approach.

Authors:  Ping Wang; Jian-Ping Ma; Yu-Bin Dong
Journal:  Chemistry       Date:  2009-10-12       Impact factor: 5.236

3.  Poly[diaqua-tris-(μ(4)-1,3-phenyl-ene-diacetato)-dicerium(III)].

Authors:  Zhu-Qing Gao; Hong-Jin Li; Jin-Zhong Gu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-02-09

4.  Poly[[triaqua-(μ(3)-4-oxidopyridine-2,6-dicarboxyl-ato)europium(III)] monohydrate].

Authors:  Dong-Yu Lv; Zhu-Qing Gao; Jin-Zhong Gu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-11-30
  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.