Literature DB >> 21589292

Poly[[tetra-aqua-(μ(4)-imidazole-4,5-dicarboxyl-ato)(μ(3)-imidazole-4,5-dicarboxyl-ato)-μ(3)-sulfato-μ(2)-sulfato-cobalt(II)dierbium(III)] monohydrate].

Feng Sun1.   

Abstract

The asymmetric unit of the title compound, {[CoEr(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains a Co(II) ion, two Er(III) ions, two imidazole-4,5-dicarboxyl-ate (imdc) ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules and two O atoms and two N atoms from two imdc ligands in a slightly distorted octa-hedral geometry. Both Er(III) ions are eight-coordinated in a bicapped trigonal-prismatic coordination geometry. One Er(III) ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and one water O atom; the other Er(III) ion is bonded to five O atoms from three imdc ligands, two O atoms from two SO(4) (2-) anions as well as one coordinated water mol-ecule. The coordinated metal units are connected by bridging imdc ligands and sulfate ions, generating a two-dimensional heterometallic layer. The two-dimensional layers are stacked along the b axis via N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imdc ligands, generating a three-dimensional framework.

Entities:  

Year:  2010        PMID: 21589292      PMCID: PMC3011513          DOI: 10.1107/S1600536810047203

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


Related literature

For applications of lanthanide–transition metal complexes similar to the title compound, see: Cheng et al. (2006 ▶); Kuang et al. (2007 ▶). For related structures, see: Sun et al. (2006 ▶); Zhu et al. (2010 ▶).

Experimental

Crystal data

[CoEr2(C5H2N2O4)2(SO4)2(H2O)4]·H2O M = 983.84 Triclinic, a = 9.0512 (5) Å b = 10.6827 (6) Å c = 12.8945 (8) Å α = 92.955 (1)° β = 97.054 (1)° γ = 108.612 (1)° V = 1167.17 (12) Å3 Z = 2 Mo Kα radiation μ = 8.12 mm−1 T = 296 K 0.20 × 0.18 × 0.15 mm

Data collection

Bruker APEXII area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.215, T max = 0.296 6026 measured reflections 4123 independent reflections 3820 reflections with I > 2σ(I) R int = 0.017

Refinement

R[F 2 > 2σ(F 2)] = 0.023 wR(F 2) = 0.055 S = 1.03 4123 reflections 397 parameters 12 restraints H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.87 e Å−3 Δρmin = −1.35 e Å−3 Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810047203/pv2354sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536810047203/pv2354Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[CoEr2(C5H2N2O4)2(SO4)2(H2O)4]·H2OZ = 2
Mr = 983.84F(000) = 930
Triclinic, P1Dx = 2.799 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.0512 (5) ÅCell parameters from 4400 reflections
b = 10.6827 (6) Åθ = 2.4–28.0°
c = 12.8945 (8) ŵ = 8.12 mm1
α = 92.955 (1)°T = 296 K
β = 97.054 (1)°Block, red
γ = 108.612 (1)°0.20 × 0.18 × 0.15 mm
V = 1167.17 (12) Å3
Bruker APEXII area-detector diffractometer4123 independent reflections
Radiation source: fine-focus sealed tube3820 reflections with I > 2σ(I)
graphiteRint = 0.017
φ and ω scanθmax = 25.2°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −10→5
Tmin = 0.215, Tmax = 0.296k = −12→12
6026 measured reflectionsl = −15→15
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.023Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.055H atoms treated by a mixture of independent and constrained refinement
S = 1.03w = 1/[σ2(Fo2) + (0.0283P)2 + 1.940P] where P = (Fo2 + 2Fc2)/3
4123 reflections(Δ/σ)max = 0.001
397 parametersΔρmax = 0.87 e Å3
12 restraintsΔρmin = −1.35 e Å3
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
Er1−0.09070 (2)0.049642 (19)0.366467 (14)0.01288 (7)
Er2−0.37193 (2)0.088827 (18)−0.105666 (14)0.01193 (7)
Co10.34879 (7)0.28628 (6)0.27282 (4)0.01585 (14)
S1−0.22681 (13)−0.07707 (11)0.09734 (8)0.0129 (2)
S2−0.07687 (14)−0.27513 (11)0.40191 (9)0.0170 (2)
C10.4802 (5)0.0827 (4)0.6454 (3)0.0145 (9)
C20.5054 (5)0.1537 (4)0.5507 (3)0.0152 (9)
C30.6350 (6)0.2989 (5)0.4510 (4)0.0212 (10)
H30.71750.36210.42710.025*
C40.4062 (5)0.1634 (4)0.4630 (3)0.0150 (9)
C50.2387 (5)0.1004 (4)0.4232 (3)0.0144 (9)
C60.5165 (5)0.1950 (4)0.1209 (3)0.0144 (9)
C70.5691 (6)0.3402 (5)0.1209 (4)0.0177 (10)
C80.5776 (6)0.5343 (5)0.1817 (4)0.0235 (11)
H80.56090.60280.22090.028*
C90.6679 (6)0.4298 (4)0.0658 (4)0.0196 (10)
C100.7520 (6)0.4192 (5)−0.0250 (4)0.0218 (11)
N10.6495 (5)0.2411 (4)0.5397 (3)0.0190 (9)
N20.4904 (5)0.2554 (4)0.4025 (3)0.0169 (8)
N30.5133 (5)0.4078 (4)0.1927 (3)0.0189 (9)
N40.6703 (5)0.5521 (4)0.1067 (3)0.0249 (9)
O1−0.2200 (4)0.0083 (3)0.0104 (2)0.0208 (7)
O2−0.3866 (4)−0.1266 (3)0.1256 (3)0.0224 (7)
O3−0.1750 (4)−0.1884 (3)0.0667 (3)0.0245 (8)
O4−0.1162 (4)0.0023 (3)0.1883 (2)0.0229 (8)
O5−0.1393 (4)−0.1746 (3)0.3560 (2)0.0218 (7)
O6−0.1995 (5)−0.4018 (4)0.3964 (3)0.0407 (10)
O7−0.0089 (4)−0.2307 (3)0.5147 (2)0.0235 (8)
O80.0526 (4)−0.2828 (4)0.3446 (3)0.0278 (8)
O90.1450 (4)0.0157 (3)0.4693 (2)0.0171 (7)
O100.1848 (4)0.1367 (3)0.3383 (2)0.0182 (7)
O110.3504 (4)−0.0057 (3)0.6478 (2)0.0183 (7)
O120.5935 (4)0.1177 (3)0.7192 (2)0.0235 (8)
O130.4190 (4)0.1442 (3)0.1823 (2)0.0178 (7)
O140.5640 (4)0.1192 (3)0.0648 (2)0.0164 (7)
O150.7324 (5)0.3048 (3)−0.0682 (3)0.0322 (9)
O160.8340 (5)0.5232 (3)−0.0549 (3)0.0367 (10)
H20.726 (7)0.631 (3)0.097 (5)0.055*
H10.739 (4)0.250 (6)0.576 (5)0.055*
O1W−0.1359 (4)0.1275 (4)−0.1711 (3)0.0261 (8)
H1W−0.120 (7)0.159 (6)−0.227 (3)0.039*
H2W−0.050 (4)0.140 (6)−0.135 (4)0.039*
O2W0.1566 (5)0.2533 (4)0.1512 (3)0.0285 (8)
H3W0.164 (8)0.320 (4)0.122 (4)0.043*
H4W0.121 (7)0.182 (3)0.118 (4)0.043*
O3W0.2893 (6)0.4288 (4)0.3606 (3)0.0376 (10)
H5W0.226 (7)0.456 (7)0.326 (5)0.056*
H6W0.290 (9)0.416 (7)0.422 (2)0.056*
O4W−0.1271 (5)0.2319 (4)0.2783 (3)0.0366 (10)
H7W−0.072 (7)0.310 (3)0.286 (5)0.055*
H8W−0.106 (8)0.223 (7)0.220 (3)0.055*
O5W0.0527 (6)0.4842 (4)0.2458 (3)0.0433 (11)
H9W0.044 (9)0.557 (4)0.269 (5)0.065*
H10W0.079 (9)0.499 (7)0.185 (3)0.065*
U11U22U33U12U13U23
Er10.01014 (12)0.01703 (11)0.01108 (11)0.00352 (8)0.00105 (8)0.00507 (8)
Er20.01019 (12)0.01510 (11)0.01112 (11)0.00425 (8)0.00202 (8)0.00503 (8)
Co10.0167 (3)0.0187 (3)0.0132 (3)0.0060 (3)0.0037 (2)0.0058 (2)
S10.0105 (6)0.0177 (5)0.0113 (5)0.0056 (4)0.0012 (4)0.0046 (4)
S20.0165 (6)0.0160 (5)0.0170 (5)0.0042 (5)−0.0009 (5)0.0020 (4)
C10.014 (2)0.024 (2)0.010 (2)0.013 (2)0.0026 (18)0.0040 (18)
C20.009 (2)0.021 (2)0.015 (2)0.0033 (19)0.0025 (18)0.0037 (18)
C30.017 (3)0.025 (3)0.021 (2)0.003 (2)0.005 (2)0.010 (2)
C40.017 (3)0.021 (2)0.009 (2)0.007 (2)0.0039 (18)0.0029 (17)
C50.013 (2)0.021 (2)0.012 (2)0.0077 (19)0.0023 (18)0.0007 (18)
C60.010 (2)0.018 (2)0.013 (2)0.0030 (19)−0.0023 (18)0.0039 (18)
C70.015 (2)0.019 (2)0.018 (2)0.0043 (19)0.0024 (19)0.0044 (18)
C80.031 (3)0.018 (2)0.023 (2)0.007 (2)0.011 (2)0.0044 (19)
C90.020 (3)0.016 (2)0.021 (2)0.003 (2)0.004 (2)0.0038 (19)
C100.022 (3)0.019 (2)0.023 (2)0.003 (2)0.009 (2)0.006 (2)
N10.008 (2)0.026 (2)0.0180 (19)0.0005 (17)−0.0027 (16)0.0045 (17)
N20.014 (2)0.021 (2)0.0164 (19)0.0049 (16)0.0034 (16)0.0049 (16)
N30.023 (2)0.016 (2)0.0168 (19)0.0049 (17)0.0050 (17)0.0012 (15)
N40.030 (3)0.016 (2)0.027 (2)0.0035 (19)0.0112 (19)0.0055 (18)
O10.0156 (18)0.0305 (19)0.0197 (16)0.0097 (15)0.0039 (14)0.0155 (14)
O20.0127 (18)0.0340 (19)0.0241 (17)0.0097 (15)0.0060 (14)0.0164 (15)
O30.028 (2)0.0163 (17)0.0333 (19)0.0085 (15)0.0146 (16)0.0047 (14)
O40.0192 (19)0.0291 (19)0.0143 (16)0.0004 (15)−0.0006 (14)0.0032 (14)
O50.0226 (19)0.0201 (17)0.0219 (17)0.0079 (15)−0.0028 (14)0.0022 (14)
O60.030 (2)0.023 (2)0.054 (3)−0.0059 (17)−0.0115 (19)0.0110 (18)
O70.034 (2)0.0225 (18)0.0148 (16)0.0116 (16)0.0009 (15)0.0048 (13)
O80.026 (2)0.044 (2)0.0189 (17)0.0186 (17)0.0052 (15)0.0015 (15)
O90.0104 (16)0.0256 (18)0.0136 (15)0.0025 (14)0.0031 (13)0.0080 (13)
O100.0124 (17)0.0270 (18)0.0146 (15)0.0044 (14)0.0032 (13)0.0082 (13)
O110.0102 (17)0.0265 (18)0.0170 (16)0.0035 (14)0.0018 (13)0.0079 (13)
O120.0103 (17)0.038 (2)0.0179 (16)0.0024 (15)−0.0020 (14)0.0098 (15)
O130.0208 (18)0.0150 (16)0.0169 (15)0.0024 (14)0.0082 (14)0.0045 (13)
O140.0190 (18)0.0136 (15)0.0161 (15)0.0036 (13)0.0051 (13)0.0014 (12)
O150.041 (2)0.0173 (18)0.036 (2)0.0022 (16)0.0194 (18)0.0018 (15)
O160.050 (3)0.0216 (19)0.040 (2)0.0056 (18)0.026 (2)0.0105 (16)
O1W0.0148 (19)0.046 (2)0.0222 (18)0.0137 (17)0.0050 (15)0.0139 (17)
O2W0.032 (2)0.030 (2)0.0228 (19)0.0108 (19)−0.0028 (16)0.0054 (16)
O3W0.052 (3)0.035 (2)0.031 (2)0.024 (2)0.001 (2)0.0002 (18)
O4W0.047 (3)0.025 (2)0.033 (2)0.0063 (19)−0.001 (2)0.0113 (18)
O5W0.063 (3)0.035 (2)0.043 (2)0.025 (2)0.025 (2)0.009 (2)
Er1—O11i2.227 (3)C3—H30.9300
Er1—O7i2.268 (3)C4—N21.380 (6)
Er1—O52.286 (3)C4—C51.462 (6)
Er1—O42.294 (3)C5—O91.258 (5)
Er1—O9i2.324 (3)C5—O101.272 (5)
Er1—O4W2.396 (4)C6—O141.267 (5)
Er1—O102.447 (3)C6—O131.269 (5)
Er1—O92.508 (3)C6—C71.470 (6)
Er1—C52.848 (4)C6—Er2v2.879 (4)
Er2—O15ii2.198 (3)C7—C91.378 (7)
Er2—O12iii2.291 (3)C7—N31.383 (6)
Er2—O12.292 (3)C8—N31.313 (6)
Er2—O1W2.316 (4)C8—N41.338 (6)
Er2—O2iv2.333 (3)C8—H80.9300
Er2—O14ii2.373 (3)C9—N41.376 (6)
Er2—O14v2.474 (3)C9—C101.492 (7)
Er2—O13v2.514 (3)C10—O161.234 (6)
Er2—C6v2.879 (4)C10—O151.266 (6)
Er2—Er2iv3.9596 (4)N1—H10.86 (5)
Co1—N32.062 (4)N4—H20.86 (4)
Co1—N22.085 (4)O2—Er2iv2.333 (3)
Co1—O3W2.093 (4)O7—Er1i2.268 (3)
Co1—O102.099 (3)O9—Er1i2.324 (3)
Co1—O2W2.120 (4)O11—Er1i2.227 (3)
Co1—O132.165 (3)O12—Er2vi2.291 (3)
S1—O31.464 (3)O13—Er2v2.514 (3)
S1—O41.471 (3)O14—Er2vii2.373 (3)
S1—O21.471 (3)O14—Er2v2.474 (3)
S1—O11.477 (3)O15—Er2vii2.198 (3)
S2—O61.443 (4)O1W—H1W0.82 (5)
S2—O51.481 (3)O1W—H2W0.82 (5)
S2—O81.482 (4)O2W—H3W0.81 (4)
S2—O71.497 (3)O2W—H4W0.80 (4)
C1—O111.255 (6)O3W—H5W0.82 (7)
C1—O121.256 (5)O3W—H6W0.81 (3)
C1—C21.474 (6)O4W—H7W0.82 (4)
C2—N11.369 (6)O4W—H8W0.81 (5)
C2—C41.385 (6)O5W—H9W0.85 (5)
C3—N21.304 (6)O5W—H10W0.86 (5)
C3—N11.339 (6)
O11i—Er1—O7i103.78 (12)O2W—Co1—O1387.26 (13)
O11i—Er1—O587.24 (12)O3—S1—O4108.4 (2)
O7i—Er1—O5140.03 (11)O3—S1—O2110.1 (2)
O11i—Er1—O489.33 (12)O4—S1—O2109.7 (2)
O7i—Er1—O4137.77 (12)O3—S1—O1109.2 (2)
O5—Er1—O479.46 (12)O4—S1—O1107.83 (19)
O11i—Er1—O9i77.27 (11)O2—S1—O1111.55 (19)
O7i—Er1—O9i71.65 (11)O6—S2—O5111.1 (2)
O5—Er1—O9i73.70 (11)O6—S2—O8112.1 (2)
O4—Er1—O9i150.39 (11)O5—S2—O8107.4 (2)
O11i—Er1—O4W77.71 (14)O6—S2—O7108.6 (2)
O7i—Er1—O4W73.79 (12)O5—S2—O7109.60 (18)
O5—Er1—O4W145.94 (13)O8—S2—O7107.9 (2)
O4—Er1—O4W70.10 (13)O11—C1—O12124.8 (4)
O9i—Er1—O4W130.42 (13)O11—C1—C2119.4 (4)
O11i—Er1—O10162.82 (11)O12—C1—C2115.8 (4)
O7i—Er1—O1077.34 (12)N1—C2—C4104.3 (4)
O5—Er1—O10102.96 (12)N1—C2—C1121.7 (4)
O4—Er1—O1079.20 (11)C4—C2—C1133.7 (4)
O9i—Er1—O10118.64 (10)N2—C3—N1111.4 (4)
O4W—Er1—O1086.33 (13)N2—C3—H3124.3
O11i—Er1—O9145.10 (10)N1—C3—H3124.3
O7i—Er1—O975.86 (11)N2—C4—C2109.5 (4)
O5—Er1—O973.80 (11)N2—C4—C5115.7 (4)
O4—Er1—O9114.74 (11)C2—C4—C5134.8 (4)
O9i—Er1—O969.47 (12)O9—C5—O10118.6 (4)
O4W—Er1—O9132.82 (13)O9—C5—C4123.8 (4)
O10—Er1—O952.05 (10)O10—C5—C4117.6 (4)
O11i—Er1—C5169.83 (11)O9—C5—Er161.7 (2)
O7i—Er1—C571.00 (13)O10—C5—Er158.9 (2)
O5—Er1—C591.51 (12)C4—C5—Er1163.6 (3)
O4—Er1—C5100.37 (12)O14—C6—O13118.8 (4)
O9i—Er1—C592.68 (11)O14—C6—C7124.0 (4)
O4W—Er1—C5108.36 (14)O13—C6—C7117.2 (4)
O10—Er1—C526.44 (11)O14—C6—Er2v58.8 (2)
O9—Er1—C526.19 (11)O13—C6—Er2v60.7 (2)
O15ii—Er2—O12iii89.96 (13)C7—C6—Er2v172.0 (3)
O15ii—Er2—O1102.94 (13)C9—C7—N3109.4 (4)
O12iii—Er2—O1139.27 (12)C9—C7—C6134.6 (4)
O15ii—Er2—O1W79.51 (14)N3—C7—C6116.0 (4)
O12iii—Er2—O1W69.98 (12)N3—C8—N4111.3 (4)
O1—Er2—O1W74.63 (12)N3—C8—H8124.3
O15ii—Er2—O2iv85.40 (13)N4—C8—H8124.3
O12iii—Er2—O2iv78.38 (12)N4—C9—C7104.8 (4)
O1—Er2—O2iv140.26 (11)N4—C9—C10120.1 (4)
O1W—Er2—O2iv144.73 (11)C7—C9—C10134.9 (4)
O15ii—Er2—O14ii77.81 (12)O16—C10—O15124.0 (5)
O12iii—Er2—O14ii149.10 (12)O16—C10—C9117.7 (4)
O1—Er2—O14ii71.57 (11)O15—C10—C9118.3 (4)
O1W—Er2—O14ii133.35 (12)C3—N1—C2108.8 (4)
O2iv—Er2—O14ii72.50 (11)C3—N1—H1123 (5)
O15ii—Er2—O14v146.41 (12)C2—N1—H1127 (5)
O12iii—Er2—O14v111.88 (11)C3—N2—C4106.0 (4)
O1—Er2—O14v77.45 (11)C3—N2—Co1141.3 (3)
O1W—Er2—O14v131.03 (12)C4—N2—Co1112.6 (3)
O2iv—Er2—O14v75.04 (11)C8—N3—C7106.0 (4)
O14ii—Er2—O14v70.43 (11)C8—N3—Co1139.7 (3)
O15ii—Er2—O13v161.49 (12)C7—N3—Co1114.1 (3)
O12iii—Er2—O13v80.41 (11)C8—N4—C9108.5 (4)
O1—Er2—O13v75.46 (11)C8—N4—H2120 (4)
O1W—Er2—O13v82.34 (12)C9—N4—H2131 (4)
O2iv—Er2—O13v107.80 (11)S1—O1—Er2143.0 (2)
O14ii—Er2—O13v118.04 (10)S1—O2—Er2iv142.13 (19)
O14v—Er2—O13v51.89 (10)S1—O4—Er1142.7 (2)
O15ii—Er2—C6v171.02 (13)S2—O5—Er1141.0 (2)
O12iii—Er2—C6v98.50 (12)S2—O7—Er1i143.41 (19)
O1—Er2—C6v72.49 (12)C5—O9—Er1i143.6 (3)
O1W—Er2—C6v106.14 (13)C5—O9—Er192.2 (3)
O2iv—Er2—C6v93.33 (12)Er1i—O9—Er1110.53 (12)
O14ii—Er2—C6v93.33 (11)C5—O10—Co1115.3 (3)
O14v—Er2—C6v26.00 (11)C5—O10—Er194.6 (3)
O13v—Er2—C6v26.10 (11)Co1—O10—Er1144.42 (15)
O15ii—Er2—Er2iv113.19 (9)C1—O11—Er1i144.9 (3)
O12iii—Er2—Er2iv138.32 (8)C1—O12—Er2vi136.0 (3)
O1—Er2—Er2iv71.02 (8)C6—O13—Co1114.4 (3)
O1W—Er2—Er2iv145.23 (8)C6—O13—Er2v93.2 (3)
O2iv—Er2—Er2iv70.03 (8)Co1—O13—Er2v150.77 (15)
O14ii—Er2—Er2iv36.06 (7)C6—O14—Er2vii141.8 (3)
O14v—Er2—Er2iv34.37 (7)C6—O14—Er2v95.2 (3)
O13v—Er2—Er2iv84.04 (7)Er2vii—O14—Er2v109.57 (11)
C6v—Er2—Er2iv58.22 (9)C10—O15—Er2vii158.3 (3)
N3—Co1—N2102.00 (15)Er2—O1W—H1W123 (4)
N3—Co1—O3W100.19 (16)Er2—O1W—H2W125 (4)
N2—Co1—O3W92.08 (15)H1W—O1W—H2W108 (6)
N3—Co1—O10170.48 (14)Co1—O2W—H3W111 (5)
N2—Co1—O1078.70 (13)Co1—O2W—H4W119 (5)
O3W—Co1—O1089.25 (16)H3W—O2W—H4W119 (6)
N3—Co1—O2W95.07 (15)Co1—O3W—H5W112 (5)
N2—Co1—O2W160.56 (15)Co1—O3W—H6W113 (5)
O3W—Co1—O2W94.00 (16)H5W—O3W—H6W126 (7)
O10—Co1—O2W82.93 (14)Er1—O4W—H7W130 (5)
N3—Co1—O1377.96 (13)Er1—O4W—H8W107 (5)
N2—Co1—O1387.28 (14)H7W—O4W—H8W91 (7)
O3W—Co1—O13177.87 (16)H9W—O5W—H10W104 (7)
O10—Co1—O1392.62 (12)
D—H···AD—HH···AD···AD—H···A
N1—H1···O8viii0.86 (5)1.95 (5)2.806 (6)176 (7)
O1W—H1W···O8ix0.82 (5)2.08 (5)2.885 (6)166 (5)
N4—H2···O3x0.86 (4)1.93 (3)2.785 (5)172 (7)
O1W—H2W···O3ix0.82 (5)2.01 (4)2.822 (5)170 (4)
O1W—H2W···O4ix0.82 (5)2.58 (5)3.048 (5)118 (5)
O2W—H3W···O16xi0.81 (4)1.92 (5)2.730 (5)176 (8)
O2W—H4W···O3ix0.80 (4)2.49 (5)2.897 (5)113 (4)
O3W—H5W···O5W0.82 (7)1.89 (7)2.692 (7)169 (7)
O3W—H6W···O6i0.81 (3)2.57 (4)3.336 (6)158 (8)
O4W—H7W···O5W0.82 (4)1.98 (4)2.752 (6)158 (6)
O4W—H8W···O2W0.81 (5)2.57 (7)3.167 (6)132 (6)
O5W—H9W···O8xii0.85 (5)1.90 (5)2.737 (6)169 (5)
O5W—H10W···O16xi0.86 (5)1.97 (6)2.787 (6)159 (7)
C3—H3···O6x0.932.463.224 (7)140
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
N1—H1⋯O8i0.86 (5)1.95 (5)2.806 (6)176 (7)
O1W—H1W⋯O8ii0.82 (5)2.08 (5)2.885 (6)166 (5)
N4—H2⋯O3iii0.86 (4)1.93 (3)2.785 (5)172 (7)
O1W—H2W⋯O3ii0.82 (5)2.01 (4)2.822 (5)170 (4)
O1W—H2W⋯O4ii0.82 (5)2.58 (5)3.048 (5)118 (5)
O2W—H3W⋯O16iv0.81 (4)1.92 (5)2.730 (5)176 (8)
O2W—H4W⋯O3ii0.80 (4)2.49 (5)2.897 (5)113 (4)
O3W—H5W⋯O5W0.82 (7)1.89 (7)2.692 (7)169 (7)
O3W—H6W⋯O6v0.81 (3)2.57 (4)3.336 (6)158 (8)
O4W—H7W⋯O5W0.82 (4)1.98 (4)2.752 (6)158 (6)
O4W—H8W⋯O2W0.81 (5)2.57 (7)3.167 (6)132 (6)
O5W—H9W⋯O8vi0.85 (5)1.90 (5)2.737 (6)169 (5)
O5W—H10W⋯O16iv0.86 (5)1.97 (6)2.787 (6)159 (7)
C3—H3⋯O6iii0.932.463.224 (7)140

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .

  3 in total

1.  Lanthanide-transition-metal sandwich framework comprising {Cu3} cluster pillars and layered networks of {Er36} wheels.

Authors:  Jian-Wen Cheng; Jie Zhang; Shou-Tian Zheng; Man-Bo Zhang; Guo-Yu Yang
Journal:  Angew Chem Int Ed Engl       Date:  2005-12-16       Impact factor: 15.336

2.  A series of luminescent lanthanide-cadmium-organic frameworks with helical channels and tubes.

Authors:  Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang
Journal:  Chem Commun (Camb)       Date:  2006-10-03       Impact factor: 6.222

3.  A short history of SHELX.

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

  3 in total

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