Literature DB >> 21201080

catena-Poly[[[aqua-cadmium(II)]bis-(μ-4-hydroxy-pyridine-2,6-dicarboxyl-ato)[aqua-cadmium(II)]di-μ-aqua] tetra-hydrate].

Hossein Aghabozorg, Neda Ilaie, Mohammad Heidari, Faranak Manteghi, Hoda Pasdar.   

Abstract

The title polymeric compound, {[Cd(2)(C(7)H(3)NO(5))(2)(H(2)O)(4)]·4H(2)O}(n) or {[Cd(2)(hypydc)(2)(H(2)O)(4)]·4H(2)O}(n) (where hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of cadmium(II) nitrate hexa-hydrate with 4-hydroxy-pyridine-2,6-dicarboxylic acid and propane-1,3-diamine, in a 1:2:2 molar ratio in aqueous solution. The compound is a seven-coordinate binuclear polymeric complex with distorted penta-gonal bipyramidal geometry around Cd(II) [Cd-O = 2.247 (4)-2.474 (3) Å]. In the binuclear monomeric units, the central atoms join together by O atoms of two bridging tridentate (hypydc)(2-) ligands, and the polymer propagates via two bridging water mol-ecules that link each Cd(II )centre of one monomer to the adjacent neighbour. Propane-1,3-diamine (pn) does not appear in the product but plays a role as a base. Inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, and π-π stacking inter-actions, with distances of 3.725 (3) and 3.766 (3) Å, connect the various components.

Entities:  

Year:  2008        PMID： 21201080      PMCID： PMC2959374          DOI： 10.1107/S1600536808030869

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


Related literature

For a review of proton-transfer compounds, see: Aghabozorg, Manteghi & Sheshmani (2008 ▶). For related compounds, see: Aghabozorg et al. (2007 ▶); Aghabozorg, Motyeian et al. (2008 ▶); Aghabozorg, Roshan et al. (2008 ▶); Fu et al. (2004 ▶); Odoko et al. (2002 ▶); Ranjbar et al. (2002 ▶); Wu et al. (2007 ▶). For the isostructural Mn compound, see: Ghosh et al. (2005 ▶).

Experimental

Crystal data

[Cd2(C7H3NO5)2(H2O)4]·4H2O M = 731.14 Triclinic, a = 9.4499 (6) Å b = 10.8633 (7) Å c = 11.2086 (9) Å α = 87.910 (3)° β = 74.239 (2)° γ = 80.478 (2)° V = 1092.08 (13) Å3 Z = 2 Mo Kα radiation μ = 2.04 mm−1 T = 100 (2) K 0.15 × 0.12 × 0.08 mm

Data collection

Bruker SMART APEXII diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.749, T max = 0.854 14393 measured reflections 6313 independent reflections 4460 reflections with I > 2σ(I) R int = 0.059

Refinement

R[F 2 > 2σ(F 2)] = 0.052 wR(F 2) = 0.091 S = 1.00 6313 reflections 265 parameters H-atom parameters constrained Δρmax = 1.03 e Å−3 Δρmin = −1.01 e Å−3 Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808030869/om2258sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536808030869/om2258Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Cd2(C7H3NO5)2(H2O)4]·4H2OZ = 2
Mr = 731.14F(000) = 720
Triclinic, P1Dx = 2.223 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.4499 (6) ÅCell parameters from 1712 reflections
b = 10.8633 (7) Åθ = 2.3–26.6°
c = 11.2086 (9) ŵ = 2.04 mm−1
α = 87.910 (3)°T = 100 K
β = 74.239 (2)°Prism, colourless
γ = 80.478 (2)°0.15 × 0.12 × 0.08 mm
V = 1092.08 (13) Å3
Bruker SMART APEXII diffractometer6313 independent reflections
Radiation source: fine-focus sealed tube4460 reflections with I > 2σ(I)
graphiteRint = 0.060
φ and ω scansθmax = 30.1°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2001)h = −13→13
Tmin = 0.749, Tmax = 0.854k = −15→15
14393 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)] = 0.052Hydrogen site location: mixed
wR(F2) = 0.091H-atom parameters constrained
S = 1.00w = 1/[σ2(Fo2) + (0.020P)2 + 3.P] where P = (Fo2 + 2Fc2)/3
6313 reflections(Δ/σ)max < 0.001
265 parametersΔρmax = 1.03 e Å−3
0 restraintsΔρmin = −1.01 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
Cd10.52233 (4)0.41267 (3)0.34288 (3)0.01222 (9)
Cd20.64542 (4)0.07117 (3)0.36831 (3)0.01104 (9)
O10.7671 (4)0.7051 (4)0.4236 (3)0.0213 (9)
O20.6031 (4)0.5739 (3)0.4480 (3)0.0148 (8)
O30.9775 (4)0.7024 (3)−0.0481 (3)0.0161 (8)
H3O0.99610.7687−0.02190.019*
O40.6494 (4)0.3865 (3)−0.0651 (3)0.0176 (8)
O50.5617 (4)0.3419 (3)0.1337 (3)0.0168 (8)
O60.3269 (5)0.5374 (4)0.2974 (4)0.0362 (12)
H6A0.35540.54470.21910.043*
H6B0.23430.53400.32250.043*
O70.4213 (4)0.2185 (3)0.3620 (3)0.0125 (7)
H7A0.38380.21560.30150.015*
H7B0.35090.22400.42840.015*
O80.6944 (4)0.2700 (3)0.4137 (3)0.0131 (7)
H8A0.69430.26180.48940.016*
H8B0.78380.27950.37890.016*
O90.8938 (4)0.1332 (3)−0.0142 (3)0.0154 (7)
O100.8252 (4)0.1290 (4)0.1920 (3)0.0189 (8)
O110.6211 (4)−0.1986 (3)−0.1198 (3)0.0154 (8)
H11O0.5712−0.2583−0.10670.018*
O120.3580 (4)−0.2089 (3)0.3456 (3)0.0146 (7)
O130.4717 (4)−0.0785 (3)0.4216 (3)0.0141 (7)
O140.8487 (4)−0.0278 (4)0.4192 (4)0.0261 (9)
H14A0.9137−0.07940.36970.031*
H14B0.8540−0.05800.48920.031*
N10.6853 (5)0.5189 (4)0.2066 (4)0.0119 (4)
N20.6319 (4)−0.0249 (4)0.1969 (4)0.0104 (4)
C10.7505 (5)0.6044 (5)0.2457 (4)0.0119 (4)
C20.8515 (5)0.6687 (4)0.1641 (4)0.0119 (4)
H2A0.89790.72720.19450.014*
C30.8838 (5)0.6462 (5)0.0370 (4)0.0119 (4)
C40.8116 (5)0.5594 (4)−0.0030 (4)0.0119 (4)
H4A0.82860.5436−0.08900.014*
C50.7155 (5)0.4969 (4)0.0840 (4)0.0119 (4)
C60.7047 (6)0.6299 (5)0.3840 (5)0.0149 (10)
C70.6364 (5)0.4018 (5)0.0464 (4)0.0107 (9)
C80.7203 (5)−0.0014 (4)0.0849 (4)0.0104 (4)
C90.7187 (5)−0.0582 (4)−0.0220 (4)0.0104 (4)
H9A0.7824−0.0395−0.09960.012*
C100.6223 (5)−0.1432 (4)−0.0149 (4)0.0104 (4)
C110.5281 (5)−0.1673 (4)0.1005 (4)0.0104 (4)
H11A0.4595−0.22380.10760.012*
C120.5376 (5)−0.1068 (4)0.2040 (4)0.0104 (4)
C130.8203 (6)0.0931 (5)0.0898 (5)0.0121 (10)
C140.4476 (6)−0.1331 (5)0.3343 (4)0.0113 (10)
O150.9715 (4)0.3122 (4)0.3047 (3)0.0203 (8)
H15A0.98660.37600.33810.024*
H15B0.95820.33020.23370.024*
O160.1500 (5)0.0936 (4)0.3498 (4)0.0355 (11)
H16A0.09450.04510.33540.043*
H16B0.11500.16470.32670.043*
O170.0340 (6)0.5346 (5)0.3824 (6)0.0617 (17)
H17A−0.00110.57320.32660.074*
H17B0.00980.58840.44070.074*
O180.1026 (5)0.8506 (6)0.2576 (4)0.0601 (18)
H18A0.10700.84580.18110.072*
H18B0.15610.79040.28320.072*
U11U22U33U12U13U23
Cd10.0173 (2)0.0132 (2)0.00806 (18)−0.00777 (16)−0.00365 (15)0.00109 (14)
Cd20.01285 (19)0.01276 (19)0.00844 (18)−0.00532 (15)−0.00244 (15)−0.00044 (14)
O10.031 (2)0.028 (2)0.0082 (17)−0.0200 (18)−0.0008 (16)−0.0055 (15)
O20.0185 (19)0.0151 (19)0.0115 (18)−0.0074 (15)−0.0024 (15)−0.0002 (14)
O30.0175 (19)0.0163 (19)0.0130 (18)−0.0089 (15)0.0024 (15)−0.0004 (14)
O40.027 (2)0.019 (2)0.0095 (17)−0.0118 (16)−0.0043 (15)0.0014 (14)
O50.026 (2)0.0194 (19)0.0077 (17)−0.0168 (16)−0.0011 (15)0.0009 (14)
O60.025 (2)0.063 (3)0.013 (2)0.016 (2)−0.0060 (18)−0.002 (2)
O70.0106 (17)0.0196 (19)0.0072 (16)−0.0046 (14)−0.0003 (13)−0.0022 (13)
O80.0149 (18)0.0188 (19)0.0068 (16)−0.0053 (14)−0.0036 (14)0.0015 (13)
O90.0179 (19)0.0188 (19)0.0115 (17)−0.0097 (15)−0.0034 (14)0.0001 (14)
O100.025 (2)0.025 (2)0.0087 (17)−0.0142 (17)−0.0024 (15)−0.0027 (15)
O110.022 (2)0.0192 (19)0.0074 (16)−0.0142 (15)−0.0021 (14)−0.0031 (14)
O120.022 (2)0.0134 (18)0.0091 (17)−0.0050 (15)−0.0028 (15)−0.0040 (13)
O130.0194 (19)0.0139 (18)0.0114 (17)−0.0098 (15)−0.0038 (15)−0.0016 (14)
O140.027 (2)0.032 (2)0.018 (2)−0.0006 (19)−0.0072 (18)0.0077 (17)
N10.0120 (10)0.0121 (10)0.0104 (9)−0.0027 (7)−0.0003 (7)−0.0008 (7)
N20.0103 (9)0.0122 (10)0.0084 (9)−0.0023 (7)−0.0017 (7)0.0000 (7)
C10.0120 (10)0.0121 (10)0.0104 (9)−0.0027 (7)−0.0003 (7)−0.0008 (7)
C20.0120 (10)0.0121 (10)0.0104 (9)−0.0027 (7)−0.0003 (7)−0.0008 (7)
C30.0120 (10)0.0121 (10)0.0104 (9)−0.0027 (7)−0.0003 (7)−0.0008 (7)
C40.0120 (10)0.0121 (10)0.0104 (9)−0.0027 (7)−0.0003 (7)−0.0008 (7)
C50.0120 (10)0.0121 (10)0.0104 (9)−0.0027 (7)−0.0003 (7)−0.0008 (7)
C60.016 (3)0.010 (2)0.017 (3)−0.004 (2)0.000 (2)−0.0035 (19)
C70.007 (2)0.014 (2)0.010 (2)−0.0031 (18)0.0009 (18)−0.0028 (18)
C80.0103 (9)0.0122 (10)0.0084 (9)−0.0023 (7)−0.0017 (7)0.0000 (7)
C90.0103 (9)0.0122 (10)0.0084 (9)−0.0023 (7)−0.0017 (7)0.0000 (7)
C100.0103 (9)0.0122 (10)0.0084 (9)−0.0023 (7)−0.0017 (7)0.0000 (7)
C110.0103 (9)0.0122 (10)0.0084 (9)−0.0023 (7)−0.0017 (7)0.0000 (7)
C120.0103 (9)0.0122 (10)0.0084 (9)−0.0023 (7)−0.0017 (7)0.0000 (7)
C130.013 (2)0.013 (2)0.014 (2)−0.0096 (19)−0.0051 (19)0.0017 (18)
C140.013 (2)0.011 (2)0.011 (2)−0.0052 (19)−0.0050 (19)0.0063 (18)
O150.0175 (19)0.033 (2)0.0114 (18)−0.0112 (17)−0.0013 (15)−0.0039 (16)
O160.052 (3)0.037 (3)0.018 (2)−0.012 (2)−0.009 (2)0.0051 (19)
O170.036 (3)0.055 (4)0.098 (5)0.003 (3)−0.026 (3)−0.040 (3)
O180.031 (3)0.127 (5)0.012 (2)0.029 (3)−0.011 (2)−0.013 (3)
Cd1—O62.267 (4)O13—C141.252 (6)
Cd1—N12.284 (4)O13—Cd2ii2.312 (3)
Cd1—O2i2.320 (3)O14—H14A0.8500
Cd1—O82.335 (3)O14—H14B0.8500
Cd1—O52.406 (3)N1—C11.343 (6)
Cd1—O72.435 (3)N1—C51.347 (6)
Cd1—O22.474 (3)N2—C121.346 (6)
Cd2—O142.244 (4)N2—C81.347 (6)
Cd2—N22.263 (4)C1—C21.390 (7)
Cd2—O13ii2.312 (3)C1—C61.515 (7)
Cd2—O102.372 (4)C2—C31.395 (7)
Cd2—O82.383 (3)C2—H2A0.9500
Cd2—O132.445 (3)C3—C41.402 (7)
Cd2—O72.450 (3)C4—C51.383 (7)
O1—C61.241 (6)C4—H4A0.9500
O2—C61.262 (6)C5—C71.505 (7)
O2—Cd1i2.320 (3)C8—C91.373 (6)
O3—C31.320 (5)C8—C131.518 (6)
O3—H3O0.8500C9—C101.387 (6)
O4—C71.237 (6)C9—H9A0.9500
O5—C71.269 (6)C10—C111.400 (6)
O6—H6A0.8500C11—C121.385 (6)
O6—H6B0.8500C11—H11A0.9500
O7—H7A0.8501C12—C141.521 (7)
O7—H7B0.8500O15—H15A0.8500
O8—H8A0.8500O15—H15B0.8500
O8—H8B0.8500O16—H16A0.8500
O9—C131.286 (6)O16—H16B0.8500
O10—C131.238 (6)O17—H17A0.8499
O11—C101.344 (5)O17—H17B0.8501
O11—H11O0.8500O18—H18A0.8500
O12—C141.255 (6)O18—H18B0.8500
O6—Cd1—N190.59 (16)H8A—O8—H8B102.3
O6—Cd1—O2i90.18 (14)C13—O10—Cd2116.8 (3)
N1—Cd1—O2i136.84 (13)C10—O11—H11O113.0
O6—Cd1—O8170.72 (15)C14—O13—Cd2ii131.0 (3)
N1—Cd1—O898.66 (13)C14—O13—Cd2117.7 (3)
O2i—Cd1—O882.57 (12)Cd2ii—O13—Cd2110.75 (13)
O6—Cd1—O581.50 (14)Cd2—O14—H14A121.4
N1—Cd1—O569.20 (13)Cd2—O14—H14B127.6
O2i—Cd1—O5153.07 (12)H14A—O14—H14B101.5
O8—Cd1—O5102.43 (12)C1—N1—C5118.9 (4)
O6—Cd1—O797.28 (15)C1—N1—Cd1121.5 (3)
N1—Cd1—O7141.26 (13)C5—N1—Cd1119.6 (3)
O2i—Cd1—O781.24 (11)C12—N2—C8118.6 (4)
O8—Cd1—O775.95 (12)C12—N2—Cd2121.3 (3)
O5—Cd1—O774.55 (11)C8—N2—Cd2120.1 (3)
O6—Cd1—O296.88 (15)N1—C1—C2122.2 (4)
N1—Cd1—O267.99 (13)N1—C1—C6116.1 (4)
O2i—Cd1—O269.08 (14)C2—C1—C6121.6 (4)
O8—Cd1—O285.97 (12)C1—C2—C3119.2 (5)
O5—Cd1—O2137.14 (11)C1—C2—H2A120.4
O7—Cd1—O2147.01 (11)C3—C2—H2A120.4
O14—Cd2—N2107.13 (15)O3—C3—C2124.0 (4)
O14—Cd2—O13ii86.47 (13)O3—C3—C4117.9 (4)
N2—Cd2—O13ii137.82 (13)C2—C3—C4118.1 (4)
O14—Cd2—O1082.66 (14)C5—C4—C3119.3 (4)
N2—Cd2—O1070.05 (13)C5—C4—H4A120.4
O13ii—Cd2—O10152.13 (12)C3—C4—H4A120.4
O14—Cd2—O891.90 (13)N1—C5—C4122.2 (5)
N2—Cd2—O8135.50 (13)N1—C5—C7116.2 (4)
O13ii—Cd2—O881.67 (12)C4—C5—C7121.5 (4)
O10—Cd2—O873.16 (12)O1—C6—O2126.1 (5)
O14—Cd2—O13103.58 (13)O1—C6—C1117.7 (4)
N2—Cd2—O1368.77 (13)O2—C6—C1116.2 (4)
O13ii—Cd2—O1369.25 (13)O4—C7—O5125.0 (5)
O10—Cd2—O13138.33 (12)O4—C7—C5118.8 (4)
O8—Cd2—O13145.76 (12)O5—C7—C5116.2 (4)
O14—Cd2—O7163.49 (13)N2—C8—C9122.7 (4)
N2—Cd2—O789.32 (13)N2—C8—C13113.3 (4)
O13ii—Cd2—O782.00 (12)C9—C8—C13124.1 (4)
O10—Cd2—O7102.26 (12)C8—C9—C10118.8 (4)
O8—Cd2—O774.81 (11)C8—C9—H9A120.6
O13—Cd2—O783.36 (12)C10—C9—H9A120.6
C6—O2—Cd1i131.4 (3)O11—C10—C9118.6 (4)
C6—O2—Cd1117.6 (3)O11—C10—C11122.2 (4)
Cd1i—O2—Cd1110.92 (14)C9—C10—C11119.2 (4)
C3—O3—H3O113.4C12—C11—C10118.3 (4)
C7—O5—Cd1118.0 (3)C12—C11—H11A120.9
Cd1—O6—H6A103.6C10—C11—H11A120.9
Cd1—O6—H6B129.8N2—C12—C11122.3 (4)
H6A—O6—H6B111.7N2—C12—C14115.4 (4)
Cd1—O7—Cd299.37 (12)C11—C12—C14122.2 (4)
Cd1—O7—H7A106.8O10—C13—O9123.6 (4)
Cd2—O7—H7A119.4O10—C13—C8119.1 (4)
Cd1—O7—H7B107.0O9—C13—C8117.3 (4)
Cd2—O7—H7B115.1O13—C14—O12125.6 (5)
H7A—O7—H7B107.9O13—C14—C12116.7 (4)
Cd1—O8—Cd2104.26 (13)O12—C14—C12117.6 (4)
Cd1—O8—H8A124.0H15A—O15—H15B110.3
Cd2—O8—H8A101.5H16A—O16—H16B104.2
Cd1—O8—H8B112.2H17A—O17—H17B102.7
Cd2—O8—H8B112.2H18A—O18—H18B114.0
O6—Cd1—O2—C6−94.9 (4)O13ii—Cd2—N2—C12−2.7 (5)
N1—Cd1—O2—C6−7.1 (4)O10—Cd2—N2—C12176.7 (4)
O2i—Cd1—O2—C6177.6 (5)O8—Cd2—N2—C12−147.3 (3)
O8—Cd1—O2—C694.0 (4)O13—Cd2—N2—C123.2 (3)
O5—Cd1—O2—C6−10.0 (5)O7—Cd2—N2—C12−79.9 (4)
O7—Cd1—O2—C6150.2 (3)O14—Cd2—N2—C8−78.0 (4)
O6—Cd1—O2—Cd1i87.55 (17)O13ii—Cd2—N2—C8177.9 (3)
N1—Cd1—O2—Cd1i175.4 (2)O10—Cd2—N2—C8−2.7 (3)
O2i—Cd1—O2—Cd1i0.0O8—Cd2—N2—C833.3 (4)
O8—Cd1—O2—Cd1i−83.58 (15)O13—Cd2—N2—C8−176.2 (4)
O5—Cd1—O2—Cd1i172.46 (14)O7—Cd2—N2—C8100.6 (4)
O7—Cd1—O2—Cd1i−27.3 (3)C5—N1—C1—C2−1.8 (7)
O6—Cd1—O5—C786.1 (4)Cd1—N1—C1—C2179.1 (4)
N1—Cd1—O5—C7−7.8 (3)C5—N1—C1—C6176.5 (4)
O2i—Cd1—O5—C7159.4 (3)Cd1—N1—C1—C6−2.5 (6)
O8—Cd1—O5—C7−102.5 (4)N1—C1—C2—C31.6 (8)
O7—Cd1—O5—C7−173.9 (4)C6—C1—C2—C3−176.6 (5)
O2—Cd1—O5—C7−4.9 (5)C1—C2—C3—O3179.8 (4)
O6—Cd1—O7—Cd2168.82 (13)C1—C2—C3—C40.3 (7)
N1—Cd1—O7—Cd268.7 (2)O3—C3—C4—C5178.5 (4)
O2i—Cd1—O7—Cd2−102.13 (13)C2—C3—C4—C5−1.9 (7)
O8—Cd1—O7—Cd2−17.66 (11)C1—N1—C5—C40.1 (7)
O5—Cd1—O7—Cd289.76 (13)Cd1—N1—C5—C4179.2 (4)
O2—Cd1—O7—Cd2−76.4 (2)C1—N1—C5—C7−178.9 (4)
O14—Cd2—O7—Cd154.7 (5)Cd1—N1—C5—C70.2 (6)
N2—Cd2—O7—Cd1−120.54 (14)C3—C4—C5—N11.8 (8)
O13ii—Cd2—O7—Cd1100.87 (13)C3—C4—C5—C7−179.3 (4)
O10—Cd2—O7—Cd1−51.13 (13)Cd1i—O2—C6—O13.4 (8)
O8—Cd2—O7—Cd117.39 (11)Cd1—O2—C6—O1−173.5 (4)
O13—Cd2—O7—Cd1170.76 (12)Cd1i—O2—C6—C1−174.8 (3)
N1—Cd1—O8—Cd2−122.31 (14)Cd1—O2—C6—C18.2 (6)
O2i—Cd1—O8—Cd2101.29 (14)N1—C1—C6—O1177.4 (5)
O5—Cd1—O8—Cd2−51.83 (14)C2—C1—C6—O1−4.2 (8)
O7—Cd1—O8—Cd218.52 (11)N1—C1—C6—O2−4.2 (7)
O2—Cd1—O8—Cd2170.69 (14)C2—C1—C6—O2174.2 (5)
O14—Cd2—O8—Cd1171.44 (14)Cd1—O5—C7—O4−170.3 (4)
N2—Cd2—O8—Cd154.4 (2)Cd1—O5—C7—C510.5 (6)
O13ii—Cd2—O8—Cd1−102.41 (14)N1—C5—C7—O4173.4 (5)
O10—Cd2—O8—Cd189.69 (15)C4—C5—C7—O4−5.6 (7)
O13—Cd2—O8—Cd1−70.8 (2)N1—C5—C7—O5−7.4 (7)
O7—Cd2—O8—Cd1−18.49 (11)C4—C5—C7—O5173.7 (5)
O14—Cd2—O10—C13118.3 (4)C12—N2—C8—C9−0.4 (7)
N2—Cd2—O10—C137.0 (4)Cd2—N2—C8—C9179.0 (4)
O13ii—Cd2—O10—C13−173.8 (3)C12—N2—C8—C13179.6 (4)
O8—Cd2—O10—C13−147.5 (4)Cd2—N2—C8—C13−1.0 (5)
O13—Cd2—O10—C1316.1 (5)N2—C8—C9—C100.0 (7)
O7—Cd2—O10—C13−77.7 (4)C13—C8—C9—C10180.0 (4)
O14—Cd2—O13—C14−107.3 (4)C8—C9—C10—O11−180.0 (4)
N2—Cd2—O13—C14−3.9 (4)C8—C9—C10—C111.0 (7)
O13ii—Cd2—O13—C14171.9 (5)O11—C10—C11—C12179.5 (4)
O10—Cd2—O13—C14−13.1 (5)C9—C10—C11—C12−1.4 (7)
O8—Cd2—O13—C14138.2 (3)C8—N2—C12—C11−0.1 (7)
O7—Cd2—O13—C1487.9 (4)Cd2—N2—C12—C11−179.6 (4)
O14—Cd2—O13—Cd2ii80.84 (17)C8—N2—C12—C14177.0 (4)
N2—Cd2—O13—Cd2ii−175.8 (2)Cd2—N2—C12—C14−2.5 (6)
O13ii—Cd2—O13—Cd2ii0.0C10—C11—C12—N21.0 (7)
O10—Cd2—O13—Cd2ii175.07 (15)C10—C11—C12—C14−175.9 (4)
O8—Cd2—O13—Cd2ii−33.7 (3)Cd2—O10—C13—O9168.5 (4)
O7—Cd2—O13—Cd2ii−83.93 (15)Cd2—O10—C13—C8−10.2 (6)
O6—Cd1—N1—C1101.9 (4)N2—C8—C13—O107.7 (7)
O2i—Cd1—N1—C111.0 (5)C9—C8—C13—O10−172.3 (5)
O8—Cd1—N1—C1−77.4 (4)N2—C8—C13—O9−171.1 (4)
O5—Cd1—N1—C1−177.5 (4)C9—C8—C13—O98.9 (7)
O7—Cd1—N1—C1−155.7 (3)Cd2ii—O13—C14—O12−7.4 (8)
O2—Cd1—N1—C14.7 (4)Cd2—O13—C14—O12−177.3 (4)
O6—Cd1—N1—C5−77.2 (4)Cd2ii—O13—C14—C12174.0 (3)
O2i—Cd1—N1—C5−168.1 (3)Cd2—O13—C14—C124.1 (6)
O8—Cd1—N1—C5103.6 (4)N2—C12—C14—O13−1.3 (7)
O5—Cd1—N1—C53.5 (3)C11—C12—C14—O13175.8 (5)
O7—Cd1—N1—C525.2 (5)N2—C12—C14—O12180.0 (4)
O2—Cd1—N1—C5−174.4 (4)C11—C12—C14—O12−2.9 (7)
O14—Cd2—N2—C12101.5 (4)
D—H···AD—HH···AD···AD—H···A
O3—H3O···O9iii0.851.742.536 (5)156
O6—H6A···O4iv0.851.872.665 (5)156
O6—H6B···O170.851.832.677 (8)177
O7—H7A···O11v0.852.072.871 (5)158
O7—H7B···O1i0.851.842.639 (5)156
O8—H8A···O12ii0.851.882.687 (5)159
O8—H8B···O150.851.832.679 (5)176
O11—H11O···O5v0.851.762.547 (5)153
O14—H14A···O18vi0.851.942.747 (7)159
O14—H14B···O16ii0.851.822.663 (6)169
O15—H15A···O17vii0.851.962.802 (7)169
O15—H15B···O3iii0.852.032.790 (5)149
O16—H16A···O18viii0.852.303.013 (6)142
O16—H16A···O14ix0.852.513.228 (6)143
O16—H16B···O15ix0.851.972.791 (6)161
O18—H18A···O9iv0.851.882.719 (5)170
O18—H18B···O12x0.852.202.819 (6)129
C11—H11A···O4v0.952.313.224 (6)161
CompoundCoordination No.Cd—O bond length (Å)Cd—N bond length (Å)
(enH2)2[Cd(pydc)3].6H2O, 1 (Fu et al., 2004)92.522, 2.541, 2.5672.397, 2.419
[Cd2(pydc)2(H2O)6].2pydcH2, 2 (Odoko et al., 2002)72.376, 2.3962.478, 2.315
[Cd2(pydc)2(CH3OH)2(H2O)]n, 3 (Wu et al., 2007)72.326, 2.331, 2.376, 2.4642.319
Cd(pydc)(H2O)3]2.2H2pydc, 4 (Ranjbar et al., 2002)72.367, 2.390, 2.4532.321
[Cd(py-2,3-dc)(H2O)3]n, 5 (Aghabozorg, Motyeian et al., 2008)62.259, 2.2792.302
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
O3—H3O⋯O9i0.851.742.536 (5)156
O6—H6A⋯O4ii0.851.862.665 (5)156
O6—H6B⋯O170.851.832.677 (8)177
O7—H7A⋯O11iii0.852.062.871 (5)158
O7—H7B⋯O1iv0.851.842.639 (5)156
O8—H8A⋯O12v0.851.882.687 (5)159
O8—H8B⋯O150.851.832.679 (5)176
O11—H11O⋯O5iii0.851.762.547 (5)153
O14—H14A⋯O18vi0.851.942.747 (7)159
O14—H14B⋯O16v0.851.822.663 (6)169
O15—H15A⋯O17vii0.851.962.802 (7)169
O15—H15B⋯O3i0.852.032.790 (5)149
O16—H16A⋯O18viii0.852.303.013 (6)142
O16—H16A⋯O14ix0.852.503.228 (6)143
O16—H16B⋯O15ix0.851.972.791 (6)161
O18—H18A⋯O9ii0.851.882.719 (5)170
O18—H18B⋯O12x0.852.202.819 (6)129
C11—H11A⋯O4iii0.952.313.224 (6)161

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

  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.  Mn(II) staircase structures stitched by water clusters to a 3D metal-organic open framework: X-ray structural and magnetic studies.

Authors:  Sujit K Ghosh; Joan Ribas; M Salah El Fallah; Parimal K Bharadwaj
Journal:  Inorg Chem       Date:  2005-05-30       Impact factor: 5.165

3.  catena-Poly[[triaqua-cadmium(II)]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O].

Authors:  Hossein Aghabozorg; Elham Motyeian; Ramona Khadivi; Mohammad Ghadermazi; Faranak Manteghi
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-01-09

4.  2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-κO,N,O)chromate(III) dihydrate.

Authors:  Hossein Aghabozorg; Leila Roshan; Najmeh Firoozi; Mohammad Ghadermazi; Sara Bagheri
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-08-30
  4 in total
  1 in total

1.  (2,9-Dimethyl-1,10-phenanthroline)(4-hydroxy-pyridine-2,6-dicarboxyl-ato)copper(II) trihydrate.

Authors:  Janet Soleimannejad; Hossein Aghabozorg; Faranak Manteghi; Shokoh Najafi
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-06-13
  1 in total

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