Literature DB >> 22199541

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)digadolinium(III)] monohydrate].

Li-Cai Zhu1.   

Abstract

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

Entities:  

Year:  2011        PMID： 22199541      PMCID： PMC3238650          DOI： 10.1107/S160053681104726X

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


Related literature

For applications of lanthanide–transition metal heterometallic complexes with bridging multifunctional organic ligands, see: Cheng et al. (2006 ▶); Kuang et al. (2007 ▶); Sun et al. (2006 ▶); Zhu et al. (2010 ▶).

Experimental

Crystal data

[CoGd2(C5H2N2O4)2(SO4)2(H2O)4]·H2O M = 963.82 Triclinic, a = 9.0916 (5) Å b = 10.7714 (6) Å c = 12.9736 (7) Å α = 93.119 (1)° β = 96.416 (1)° γ = 108.840 (1)° V = 1189.35 (11) Å3 Z = 2 Mo Kα radiation μ = 6.48 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 = 0.284, T max = 0.378 6174 measured reflections 4208 independent reflections 3790 reflections with I > 2σ(I) R int = 0.016

Refinement

R[F 2 > 2σ(F 2)] = 0.022 wR(F 2) = 0.054 S = 1.02 4208 reflections 397 parameters 17 restraints H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.79 e Å−3 Δρmin = −0.81 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: XP in SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97. Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681104726X/hp2018sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104726X/hp2018Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[CoGd2(C5H2N2O4)2(SO4)2(H2O)4]·H2OZ = 2
Mr = 963.82F(000) = 914
Triclinic, P1Dx = 2.691 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.0916 (5) ÅCell parameters from 4033 reflections
b = 10.7714 (6) Åθ = 2.4–27.9°
c = 12.9736 (7) ŵ = 6.48 mm−1
α = 93.119 (1)°T = 296 K
β = 96.416 (1)°Block, red
γ = 108.840 (1)°0.20 × 0.18 × 0.15 mm
V = 1189.35 (11) Å3
Bruker APEXII area-detector diffractometer4208 independent reflections
Radiation source: fine-focus sealed tube3790 reflections with I > 2σ(I)
graphiteRint = 0.016
φ and ω scanθmax = 25.2°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −10→8
Tmin = 0.284, Tmax = 0.378k = −9→12
6174 measured reflectionsl = −14→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)] = 0.022Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.054H atoms treated by a mixture of independent and constrained refinement
S = 1.02w = 1/[σ2(Fo2) + (0.0292P)2 + 0.3497P] where P = (Fo2 + 2Fc2)/3
4208 reflections(Δ/σ)max = 0.002
397 parametersΔρmax = 0.79 e Å−3
17 restraintsΔρmin = −0.81 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
Gd10.90952 (2)0.549083 (19)0.364770 (14)0.01526 (7)
Gd20.37043 (2)0.410578 (19)0.108204 (14)0.01441 (7)
Co10.35411 (7)0.78823 (6)0.27426 (4)0.01829 (13)
S10.92233 (13)0.22231 (10)0.40357 (8)0.0196 (2)
S20.77447 (12)0.42234 (10)0.09511 (7)0.0157 (2)
C10.7564 (5)0.3980 (4)0.5774 (3)0.0152 (9)
C20.5906 (5)0.3349 (4)0.5377 (3)0.0175 (9)
C30.3614 (5)0.1987 (4)0.5498 (3)0.0224 (10)
H30.27900.13580.57380.027*
C40.4925 (5)0.3440 (4)0.4526 (3)0.0176 (9)
C50.5166 (5)0.4170 (4)0.3574 (3)0.0179 (9)
C60.5196 (5)0.6976 (4)0.1215 (3)0.0183 (9)
C70.5717 (5)0.8417 (4)0.1198 (3)0.0198 (9)
C80.5810 (6)1.0356 (4)0.1824 (3)0.0262 (11)
H80.56561.10380.22210.031*
C90.6687 (5)0.9312 (4)0.0646 (3)0.0212 (10)
C100.7527 (5)0.9224 (4)−0.0265 (3)0.0253 (10)
N10.3480 (4)0.2571 (4)0.4626 (3)0.0219 (8)
N20.5066 (4)0.2422 (3)0.5971 (3)0.0188 (8)
N30.6720 (5)1.0523 (3)0.1057 (3)0.0251 (9)
N40.5169 (4)0.9092 (3)0.1936 (3)0.0209 (8)
O11.0507 (4)0.2115 (3)0.3471 (2)0.0307 (8)
O20.9891 (4)0.2677 (3)0.5141 (2)0.0260 (7)
O30.7976 (4)0.0979 (3)0.3993 (3)0.0429 (10)
O40.8622 (4)0.3220 (3)0.3559 (2)0.0236 (7)
O50.8508 (3)0.4831 (3)0.5314 (2)0.0191 (6)
O60.8087 (3)0.3626 (3)0.6615 (2)0.0195 (6)
O70.6446 (3)0.5035 (3)0.3536 (2)0.0227 (7)
O80.4026 (4)0.3819 (3)0.2864 (2)0.0291 (8)
O90.4237 (4)0.6481 (3)0.1835 (2)0.0216 (7)
O100.5663 (3)0.6222 (3)0.0648 (2)0.0201 (7)
O110.7322 (4)0.8084 (3)−0.0689 (3)0.0373 (9)
O120.8336 (4)1.0256 (3)−0.0559 (3)0.0371 (9)
O130.7800 (4)0.5049 (3)0.0081 (2)0.0261 (7)
O140.8239 (4)0.3108 (3)0.0655 (2)0.0302 (8)
O150.8852 (4)0.5027 (3)0.1839 (2)0.0315 (8)
O160.6158 (4)0.3748 (3)0.1261 (2)0.0296 (8)
H10.260 (4)0.251 (5)0.426 (3)0.044*
H20.725 (5)1.128 (3)0.087 (4)0.044*
O1W0.8720 (5)0.7325 (3)0.2745 (3)0.0411 (9)
H1W0.931 (6)0.807 (3)0.275 (4)0.062*
H2W0.843 (7)0.703 (5)0.216 (2)0.062*
O2W0.1300 (4)0.3676 (4)0.1756 (3)0.0301 (8)
H3W0.115 (5)0.331 (5)0.227 (2)0.045*
H4W0.046 (4)0.359 (5)0.143 (3)0.045*
O3W0.1637 (4)0.7554 (3)0.1538 (2)0.0305 (8)
H5W0.166 (7)0.811 (3)0.113 (3)0.046*
H6W0.131 (6)0.686 (3)0.114 (3)0.046*
O4W0.2924 (5)0.9293 (4)0.3611 (3)0.0402 (9)
H7W0.267 (6)0.916 (6)0.419 (2)0.060*
H8W0.221 (5)0.949 (6)0.330 (4)0.060*
O5W0.0564 (5)−0.0166 (4)0.2481 (3)0.0440 (10)
H9W0.079 (7)−0.006 (5)0.187 (2)0.066*
H10W0.028 (7)0.046 (4)0.271 (4)0.066*
U11U22U33U12U13U23
Gd10.01463 (12)0.01957 (12)0.01160 (11)0.00505 (9)0.00226 (8)0.00460 (8)
Gd20.01453 (12)0.01764 (12)0.01186 (11)0.00550 (9)0.00300 (8)0.00492 (8)
Co10.0212 (3)0.0206 (3)0.0141 (3)0.0069 (2)0.0050 (2)0.0054 (2)
S10.0214 (6)0.0180 (5)0.0181 (5)0.0053 (4)0.0011 (4)0.0022 (4)
S20.0164 (5)0.0211 (5)0.0111 (5)0.0077 (4)0.0024 (4)0.0041 (4)
C10.020 (2)0.017 (2)0.0083 (19)0.0053 (18)0.0044 (17)0.0013 (16)
C20.022 (2)0.021 (2)0.0102 (19)0.0082 (18)0.0032 (17)0.0004 (17)
C30.021 (2)0.024 (2)0.020 (2)0.0035 (19)0.0038 (19)0.0055 (18)
C40.018 (2)0.021 (2)0.013 (2)0.0056 (18)0.0011 (17)0.0031 (17)
C50.017 (2)0.029 (2)0.010 (2)0.0095 (19)0.0058 (17)0.0057 (17)
C60.018 (2)0.020 (2)0.015 (2)0.0039 (18)−0.0011 (18)0.0041 (18)
C70.023 (2)0.018 (2)0.018 (2)0.0057 (18)0.0050 (18)0.0017 (17)
C80.038 (3)0.017 (2)0.025 (2)0.009 (2)0.012 (2)0.0031 (19)
C90.026 (3)0.014 (2)0.021 (2)0.0034 (18)0.0045 (19)0.0031 (18)
C100.027 (3)0.024 (3)0.023 (2)0.003 (2)0.010 (2)0.005 (2)
N10.016 (2)0.031 (2)0.0177 (19)0.0067 (17)0.0005 (15)0.0044 (16)
N20.020 (2)0.0204 (19)0.0142 (17)0.0039 (15)0.0035 (15)0.0047 (14)
N30.035 (2)0.0154 (19)0.025 (2)0.0043 (17)0.0127 (18)0.0081 (16)
N40.024 (2)0.0188 (19)0.0185 (18)0.0050 (16)0.0045 (16)0.0011 (15)
O10.033 (2)0.046 (2)0.0184 (16)0.0199 (16)0.0057 (14)0.0000 (15)
O20.037 (2)0.0269 (17)0.0154 (15)0.0120 (15)0.0022 (14)0.0038 (13)
O30.031 (2)0.0262 (19)0.057 (2)−0.0065 (15)−0.0102 (18)0.0148 (17)
O40.0266 (18)0.0222 (16)0.0229 (16)0.0107 (14)−0.0012 (14)0.0020 (13)
O50.0160 (16)0.0252 (16)0.0149 (14)0.0041 (13)0.0030 (12)0.0064 (12)
O60.0167 (16)0.0296 (17)0.0125 (14)0.0070 (13)0.0029 (12)0.0074 (12)
O70.0161 (16)0.0295 (17)0.0225 (16)0.0057 (13)0.0029 (13)0.0122 (13)
O80.0191 (17)0.048 (2)0.0167 (16)0.0052 (15)0.0010 (13)0.0133 (15)
O90.0276 (18)0.0182 (15)0.0193 (15)0.0049 (13)0.0105 (13)0.0067 (12)
O100.0246 (17)0.0149 (15)0.0209 (15)0.0048 (13)0.0084 (13)0.0036 (12)
O110.053 (2)0.0187 (18)0.037 (2)0.0021 (16)0.0258 (18)0.0011 (15)
O120.050 (2)0.0236 (18)0.039 (2)0.0061 (16)0.0248 (18)0.0103 (15)
O130.0230 (18)0.042 (2)0.0184 (16)0.0142 (15)0.0053 (13)0.0170 (14)
O140.039 (2)0.0200 (17)0.0346 (18)0.0095 (15)0.0187 (16)0.0038 (14)
O150.035 (2)0.0346 (19)0.0158 (16)0.0001 (15)0.0002 (14)−0.0013 (14)
O160.0236 (18)0.045 (2)0.0275 (17)0.0164 (15)0.0122 (14)0.0208 (15)
O1W0.053 (3)0.029 (2)0.035 (2)0.0081 (18)−0.0066 (19)0.0089 (16)
O2W0.0199 (18)0.049 (2)0.0271 (18)0.0154 (16)0.0092 (14)0.0182 (16)
O3W0.035 (2)0.0295 (18)0.0251 (17)0.0100 (16)−0.0016 (15)0.0045 (14)
O4W0.055 (3)0.041 (2)0.032 (2)0.0265 (19)0.0098 (18)0.0015 (18)
O5W0.063 (3)0.040 (2)0.043 (2)0.028 (2)0.026 (2)0.0114 (18)
Gd1—O72.283 (3)C3—N21.314 (5)
Gd1—O2i2.319 (3)C3—N11.336 (5)
Gd1—O42.337 (3)C3—H30.9300
Gd1—O152.343 (3)C4—N11.370 (5)
Gd1—O52.375 (3)C4—C51.498 (5)
Gd1—O1W2.447 (3)C5—O71.242 (5)
Gd1—O6i2.498 (3)C5—O81.249 (5)
Gd1—O5i2.562 (3)C6—O91.263 (5)
Gd1—C1i2.905 (4)C6—O101.268 (5)
Gd1—Gd1i4.0465 (4)C6—C71.471 (6)
Gd2—O11ii2.244 (3)C7—C91.373 (6)
Gd2—O13ii2.338 (3)C7—N41.399 (5)
Gd2—O82.348 (3)C8—N41.320 (5)
Gd2—O2W2.361 (3)C8—N31.347 (6)
Gd2—O162.373 (3)C8—H80.9300
Gd2—O10ii2.414 (3)C9—N31.372 (5)
Gd2—O102.535 (3)C9—C101.493 (6)
Gd2—O92.561 (3)C10—O121.226 (5)
Gd2—C62.934 (4)C10—O111.265 (5)
Gd2—Gd2ii4.0349 (4)N1—H10.87 (4)
Co1—N42.058 (4)N2—Co1iii2.086 (3)
Co1—N2iii2.086 (3)N3—H20.87 (3)
Co1—O6iii2.096 (3)O2—Gd1i2.319 (3)
Co1—O4W2.097 (4)O5—Gd1i2.562 (3)
Co1—O3W2.122 (3)O6—Co1iii2.096 (3)
Co1—O92.157 (3)O6—Gd1i2.498 (3)
S1—O31.443 (3)O10—Gd2ii2.414 (3)
S1—O11.478 (3)O11—Gd2ii2.244 (3)
S1—O21.483 (3)O13—Gd2ii2.338 (3)
S1—O41.486 (3)O1W—H1W0.81 (4)
S2—O141.459 (3)O1W—H2W0.789 (19)
S2—O151.469 (3)O2W—H3W0.80 (3)
S2—O131.470 (3)O2W—H4W0.81 (4)
S2—O161.476 (3)O3W—H5W0.82 (3)
C1—O51.264 (5)O3W—H6W0.83 (3)
C1—O61.269 (5)O4W—H7W0.82 (3)
C1—C21.458 (6)O4W—H8W0.82 (5)
C1—Gd1i2.905 (4)O5W—H9W0.85 (4)
C2—C41.369 (6)O5W—H10W0.85 (5)
C2—N21.377 (5)
O7—Gd1—O2i103.56 (11)O4W—Co1—O3W93.45 (14)
O7—Gd1—O487.61 (10)N4—Co1—O978.00 (12)
O2i—Gd1—O4139.04 (10)N2iii—Co1—O987.71 (13)
O7—Gd1—O1590.06 (11)O6iii—Co1—O991.82 (11)
O2i—Gd1—O15137.61 (11)O4W—Co1—O9178.18 (14)
O4—Gd1—O1580.42 (11)O3W—Co1—O987.04 (13)
O7—Gd1—O576.05 (10)O3—S1—O1112.2 (2)
O2i—Gd1—O571.43 (10)O3—S1—O2108.8 (2)
O4—Gd1—O573.46 (10)O1—S1—O2107.78 (19)
O15—Gd1—O5150.71 (11)O3—S1—O4110.53 (19)
O7—Gd1—O1W77.94 (12)O1—S1—O4107.51 (18)
O2i—Gd1—O1W74.57 (11)O2—S1—O4110.02 (17)
O4—Gd1—O1W146.18 (11)O14—S2—O15108.6 (2)
O15—Gd1—O1W69.33 (12)O14—S2—O13109.56 (18)
O5—Gd1—O1W130.26 (12)O15—S2—O13107.94 (19)
O7—Gd1—O6i164.37 (9)O14—S2—O16110.07 (19)
O2i—Gd1—O6i76.75 (10)O15—S2—O16109.10 (19)
O4—Gd1—O6i102.43 (10)O13—S2—O16111.47 (17)
O15—Gd1—O6i80.01 (10)O5—C1—O6118.6 (4)
O5—Gd1—O6i118.09 (9)O5—C1—C2123.7 (3)
O1W—Gd1—O6i87.23 (12)O6—C1—C2117.7 (3)
O7—Gd1—O5i144.56 (9)O5—C1—Gd1i61.8 (2)
O2i—Gd1—O5i75.17 (10)O6—C1—Gd1i58.9 (2)
O4—Gd1—O5i73.51 (10)C2—C1—Gd1i163.6 (3)
O15—Gd1—O5i115.09 (11)C4—C2—N2109.0 (4)
O5—Gd1—O5i69.99 (11)C4—C2—C1135.5 (4)
O1W—Gd1—O5i132.85 (11)N2—C2—C1115.5 (3)
O6i—Gd1—O5i50.97 (9)N2—C3—N1110.9 (4)
O7—Gd1—C1i168.66 (10)N2—C3—H3124.5
O2i—Gd1—C1i70.40 (11)N1—C3—H3124.5
O4—Gd1—C1i91.09 (11)C2—C4—N1105.5 (3)
O15—Gd1—C1i100.83 (11)C2—C4—C5133.9 (4)
O5—Gd1—C1i92.78 (10)N1—C4—C5120.4 (4)
O1W—Gd1—C1i108.73 (12)O7—C5—O8125.4 (4)
O6i—Gd1—C1i25.79 (9)O7—C5—C4119.5 (4)
O5i—Gd1—C1i25.77 (10)O8—C5—C4115.1 (4)
O7—Gd1—Gd1i111.99 (7)O9—C6—O10119.1 (4)
O2i—Gd1—Gd1i69.58 (7)O9—C6—C7117.3 (4)
O4—Gd1—Gd1i69.70 (7)O10—C6—C7123.6 (4)
O15—Gd1—Gd1i141.31 (9)O9—C6—Gd260.5 (2)
O5—Gd1—Gd1i36.51 (7)O10—C6—Gd259.4 (2)
O1W—Gd1—Gd1i144.09 (9)C7—C6—Gd2171.4 (3)
O6i—Gd1—Gd1i82.97 (6)C9—C7—N4109.2 (4)
O5i—Gd1—Gd1i33.48 (6)C9—C7—C6135.5 (4)
C1i—Gd1—Gd1i57.20 (7)N4—C7—C6115.3 (4)
O11ii—Gd2—O13ii104.05 (12)N4—C8—N3110.6 (4)
O11ii—Gd2—O890.51 (12)N4—C8—H8124.7
O13ii—Gd2—O8138.78 (11)N3—C8—H8124.7
O11ii—Gd2—O2W79.70 (13)N3—C9—C7105.2 (4)
O13ii—Gd2—O2W75.63 (11)N3—C9—C10119.4 (4)
O8—Gd2—O2W69.29 (11)C7—C9—C10135.2 (4)
O11ii—Gd2—O1685.00 (13)O12—C10—O11125.0 (4)
O13ii—Gd2—O16139.36 (10)O12—C10—C9117.9 (4)
O8—Gd2—O1679.29 (11)O11—C10—C9117.1 (4)
O2W—Gd2—O16144.68 (10)C3—N1—C4108.3 (3)
O11ii—Gd2—O10ii76.41 (10)C3—N1—H1125 (4)
O13ii—Gd2—O10ii71.52 (10)C4—N1—H1126 (4)
O8—Gd2—O10ii149.64 (11)C3—N2—C2106.3 (3)
O2W—Gd2—O10ii132.68 (11)C3—N2—Co1iii140.8 (3)
O16—Gd2—O10ii72.45 (10)C2—N2—Co1iii112.8 (3)
O11ii—Gd2—O10145.26 (11)C8—N3—C9109.0 (4)
O13ii—Gd2—O1076.33 (10)C8—N3—H2125 (4)
O8—Gd2—O10112.31 (10)C9—N3—H2126 (4)
O2W—Gd2—O10131.93 (11)C8—N4—C7106.0 (4)
O16—Gd2—O1074.61 (10)C8—N4—Co1139.7 (3)
O10ii—Gd2—O1070.80 (11)C7—N4—Co1114.0 (3)
O11ii—Gd2—O9163.85 (11)S1—O2—Gd1i144.35 (18)
O13ii—Gd2—O974.78 (10)S1—O4—Gd1141.43 (18)
O8—Gd2—O980.86 (10)C1—O5—Gd1143.6 (3)
O2W—Gd2—O984.47 (11)C1—O5—Gd1i92.4 (2)
O16—Gd2—O9106.54 (11)Gd1—O5—Gd1i110.01 (11)
O10ii—Gd2—O9117.44 (9)C1—O6—Co1iii115.4 (3)
O10—Gd2—O950.71 (9)C1—O6—Gd1i95.3 (2)
O11ii—Gd2—C6169.70 (11)Co1iii—O6—Gd1i143.17 (13)
O13ii—Gd2—C671.59 (11)C5—O7—Gd1145.3 (3)
O8—Gd2—C698.84 (11)C5—O8—Gd2134.4 (3)
O2W—Gd2—C6107.59 (12)C6—O9—Co1115.0 (3)
O16—Gd2—C692.46 (12)C6—O9—Gd294.1 (2)
O10ii—Gd2—C693.30 (11)Co1—O9—Gd2149.36 (13)
O10—Gd2—C625.50 (10)C6—O10—Gd2ii142.3 (3)
O9—Gd2—C625.43 (10)C6—O10—Gd295.1 (2)
O11ii—Gd2—Gd2ii112.07 (8)Gd2ii—O10—Gd2109.20 (11)
O13ii—Gd2—Gd2ii70.24 (7)C10—O11—Gd2ii159.9 (3)
O8—Gd2—Gd2ii139.01 (7)S2—O13—Gd2ii144.17 (19)
O2W—Gd2—Gd2ii145.64 (8)S2—O15—Gd1141.6 (2)
O16—Gd2—Gd2ii69.68 (7)S2—O16—Gd2142.69 (18)
O10ii—Gd2—Gd2ii36.40 (6)Gd1—O1W—H1W130 (4)
O10—Gd2—Gd2ii34.41 (6)Gd1—O1W—H2W104 (4)
O9—Gd2—Gd2ii82.98 (6)H1W—O1W—H2W108 (3)
C6—Gd2—Gd2ii57.82 (8)Gd2—O2W—H3W122 (4)
N4—Co1—N2iii102.68 (14)Gd2—O2W—H4W127 (3)
N4—Co1—O6iii169.67 (13)H3W—O2W—H4W108 (3)
N2iii—Co1—O6iii78.43 (12)Co1—O3W—H5W120 (4)
N4—Co1—O4W100.20 (15)Co1—O3W—H6W121 (4)
N2iii—Co1—O4W92.40 (14)H5W—O3W—H6W102 (3)
O6iii—Co1—O4W89.98 (14)Co1—O4W—H7W121 (4)
N4—Co1—O3W94.51 (14)Co1—O4W—H8W113 (4)
N2iii—Co1—O3W160.56 (13)H7W—O4W—H8W104 (3)
O6iii—Co1—O3W83.04 (12)H9W—O5W—H10W110 (3)
D—H···AD—HH···AD···AD—H···A
N1—H1···O1iv0.87 (4)1.96 (4)2.820 (5)172 (5)
O1W—H1W···O5Wv0.81 (4)1.95 (3)2.745 (5)169 (6)
N3—H2···O14vi0.87 (3)1.93 (3)2.787 (4)169 (4)
O2W—H3W···O1iv0.80 (3)2.09 (4)2.878 (5)171 (5)
O2W—H4W···O14iv0.81 (4)2.04 (4)2.842 (5)172 (5)
O2W—H4W···O15iv0.81 (4)2.52 (4)3.035 (5)123 (4)
O3W—H5W···O12vii0.82 (3)1.95 (4)2.734 (4)162 (5)
O3W—H6W···O14ii0.83 (3)2.41 (4)2.919 (4)120 (3)
O4W—H7W···O3iii0.82 (3)2.49 (3)3.306 (6)174 (6)
O4W—H8W···O5Wvi0.82 (5)1.89 (5)2.700 (6)175 (6)
O5W—H9W···O12ii0.85 (4)1.99 (4)2.797 (6)161 (5)
O5W—H10W···O1iv0.85 (5)1.93 (5)2.728 (5)157 (6)
C3—H3···O3viii0.932.443.193 (5)138.
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
N1—H1⋯O1i0.87 (4)1.96 (4)2.820 (5)172 (5)
O1W—H1W⋯O5Wii0.81 (4)1.95 (3)2.745 (5)169 (6)
N3—H2⋯O14iii0.87 (3)1.93 (3)2.787 (4)169 (4)
O2W—H3W⋯O1i0.80 (3)2.09 (4)2.878 (5)171 (5)
O2W—H4W⋯O14i0.81 (4)2.04 (4)2.842 (5)172 (5)
O2W—H4W⋯O15i0.81 (4)2.52 (4)3.035 (5)123 (4)
O3W—H5W⋯O12iv0.82 (3)1.95 (4)2.734 (4)162 (5)
O3W—H6W⋯O14v0.83 (3)2.41 (4)2.919 (4)120 (3)
O4W—H7W⋯O3vi0.82 (3)2.49 (3)3.306 (6)174 (6)
O4W—H8W⋯O5Wiii0.82 (5)1.89 (5)2.700 (6)175 (6)
O5W—H9W⋯O12v0.85 (4)1.99 (4)2.797 (6)161 (5)
O5W—H10W⋯O1i0.85 (5)1.93 (5)2.728 (5)157 (6)
C3—H3⋯O3vii0.932.443.193 (5)138

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

  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

北京卡尤迪生物科技股份有限公司 © 2022-2023.