Literature DB >> 22090878

Poly[aqua-[μ(5)-5-(isonicotinamido)-isophthalato][μ(4)-5-(isonicotinamido)-isophthalato]cerium(III)silver(I)].

Xue Nie1, Jing-Nian Qu.   

Abstract

The 4d-4f heteronuclear title complex, [AgCe(C(14)H(8)N(2)O(5))(2)(H(2)O)](n), has a three-dimensional framework structure, generated by the carboxyl-ate and pyridyl groups of the 5-(isonicotinamido)-isophthalate (INAIP) ligands bridging the metal ions. The Ce(III) atom is coordinated by eight O atoms from six INAIP ligands and a water mol-ecule in a distorted tricapped trigonal-prismatic geometry, while the Ag(I) atom has a distorted trigonal-planar AgN(2)O geometry. O-H⋯O and N-H⋯O hydrogen bonds and π-π inter-actions between the pyridine and benzene rings [centroid-centroid distances = 3.642 (4) and 3.624 (3) Å] stabilize the crystal structure.

Entities:  

Year:  2011        PMID: 22090878      PMCID: PMC3212176          DOI: 10.1107/S1600536811027668

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


Related literature

For background to coordination polymers, see: Abourahma et al. (2002 ▶); Costes et al. (2004 ▶); Kapoor et al. (2002 ▶). For background to lanthanide and transition metal heterometallic compounds, see: Chen et al. (2010 ▶); Cheng et al. (2006 ▶); Lin et al. (2009 ▶); Zhang et al. (2005 ▶).

Experimental

Crystal data

[AgCe(C14H8N2O5)2(H2O)] M = 834.45 Triclinic, a = 10.4869 (14) Å b = 11.1540 (15) Å c = 13.7276 (18) Å α = 107.853 (1)° β = 106.778 (2)° γ = 102.885 (2)° V = 1375.2 (3) Å3 Z = 2 Mo Kα radiation μ = 2.42 mm−1 T = 293 K 0.20 × 0.14 × 0.10 mm

Data collection

Bruker APEX CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.643, T max = 0.794 6903 measured reflections 4777 independent reflections 4178 reflections with I > 2σ(I) R int = 0.053

Refinement

R[F 2 > 2σ(F 2)] = 0.035 wR(F 2) = 0.081 S = 0.97 4777 reflections 406 parameters H-atom parameters constrained Δρmax = 1.40 e Å−3 Δρmin = −1.44 e Å−3 Data collection: SMART (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 datablock(s) global, I. DOI: 10.1107/S1600536811027668/hy2446sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811027668/hy2446Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[AgCe(C14H8N2O5)2(H2O)]Z = 2
Mr = 834.45F(000) = 814
Triclinic, P1Dx = 2.015 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.4869 (14) ÅCell parameters from 4777 reflections
b = 11.1540 (15) Åθ = 2.0–25.0°
c = 13.7276 (18) ŵ = 2.42 mm1
α = 107.853 (1)°T = 293 K
β = 106.778 (2)°Block, colorless
γ = 102.885 (2)°0.20 × 0.14 × 0.10 mm
V = 1375.2 (3) Å3
Bruker APEX CCD diffractometer4777 independent reflections
Radiation source: fine-focus sealed tube4178 reflections with I > 2σ(I)
graphiteRint = 0.053
φ and ω scansθmax = 25.0°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Bruker, 2001)h = −12→12
Tmin = 0.643, Tmax = 0.794k = −11→13
6903 measured reflectionsl = −16→12
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.081H-atom parameters constrained
S = 0.97w = 1/[σ2(Fo2) + (0.0347P)2] where P = (Fo2 + 2Fc2)/3
4777 reflections(Δ/σ)max = 0.001
406 parametersΔρmax = 1.40 e Å3
0 restraintsΔρmin = −1.44 e Å3
xyzUiso*/Ueq
Ag10.88225 (5)0.23184 (7)1.55049 (4)0.06266 (18)
Ce10.63603 (3)0.45288 (2)0.61285 (2)0.01607 (9)
C10.3260 (5)0.5683 (4)0.5961 (4)0.0200 (10)
C20.2981 (5)0.5843 (4)0.7000 (4)0.0202 (10)
C30.1600 (5)0.5553 (4)0.6961 (4)0.0222 (10)
H30.08370.52400.62880.027*
C40.1376 (5)0.5735 (5)0.7933 (4)0.0234 (10)
C50.2530 (5)0.6195 (5)0.8932 (4)0.0247 (11)
H50.23780.63120.95840.030*
C60.3879 (5)0.6476 (4)0.8964 (4)0.0209 (10)
C70.4116 (5)0.6312 (4)0.8000 (4)0.0223 (10)
H70.50370.65170.80230.027*
C8−0.0077 (5)0.5580 (5)0.7942 (4)0.0240 (11)
C90.5223 (5)0.6542 (5)1.0769 (4)0.0236 (11)
C100.6688 (5)0.7096 (5)1.1656 (4)0.0260 (11)
C110.6840 (6)0.7319 (6)1.2735 (4)0.0398 (14)
H110.60520.71991.29250.048*
C120.8176 (6)0.7723 (7)1.3521 (4)0.0469 (16)
H120.82720.79041.42520.056*
C130.9185 (6)0.7691 (7)1.2276 (5)0.0481 (16)
H130.99930.78281.21120.058*
C140.7895 (6)0.7313 (6)1.1433 (4)0.0418 (14)
H140.78400.72051.07210.050*
C150.6561 (5)0.2158 (5)0.6570 (4)0.0240 (11)
C160.6919 (5)0.1164 (4)0.7036 (4)0.0217 (10)
C170.7361 (5)0.1512 (5)0.8175 (4)0.0258 (11)
H170.74310.23530.86380.031*
C180.7693 (5)0.0620 (5)0.8619 (4)0.0252 (11)
C190.7550 (5)−0.0648 (5)0.7921 (4)0.0241 (11)
H190.7773−0.12550.82190.029*
C200.7076 (5)−0.1014 (4)0.6784 (4)0.0215 (10)
C210.6768 (5)−0.0101 (4)0.6344 (4)0.0223 (10)
H210.6460−0.03400.55820.027*
C220.6810 (5)−0.2419 (5)0.6031 (4)0.0212 (10)
C230.7450 (6)0.0246 (5)1.0210 (4)0.0356 (13)
C240.7834 (6)0.0781 (5)1.1428 (4)0.0318 (12)
C250.6756 (6)0.0579 (6)1.1812 (5)0.0428 (14)
H250.58190.01511.13120.051*
C260.7064 (7)0.1008 (6)1.2925 (5)0.0437 (14)
H260.63210.08651.31650.052*
C270.9447 (6)0.1839 (6)1.3330 (5)0.0452 (15)
H271.03750.22701.38460.054*
C280.9196 (6)0.1435 (6)1.2209 (4)0.0384 (14)
H280.99500.16081.19850.046*
N10.9338 (5)0.7871 (5)1.3303 (4)0.0409 (12)
N20.5085 (4)0.6990 (4)0.9965 (3)0.0249 (9)
H20.57870.76471.00610.030*
N30.8395 (5)0.1627 (5)1.3687 (4)0.0401 (12)
N40.8112 (5)0.0994 (4)0.9783 (3)0.0285 (10)
H40.88100.17211.02260.034*
O10.4458 (3)0.5621 (3)0.5960 (2)0.0233 (7)
O20.2324 (4)0.5616 (4)0.5135 (3)0.0329 (9)
O3−0.1121 (3)0.4777 (3)0.7074 (3)0.0280 (8)
O4−0.0163 (4)0.6309 (4)0.8809 (3)0.0341 (9)
O50.4260 (4)0.5710 (3)1.0791 (3)0.0316 (8)
O60.6166 (4)0.3009 (3)0.7118 (3)0.0280 (8)
O70.6661 (4)0.2109 (3)0.5664 (2)0.0241 (7)
O80.6024 (4)−0.2802 (3)0.5023 (3)0.0270 (8)
O90.7369 (3)−0.3125 (3)0.6448 (3)0.0259 (8)
O100.6548 (5)−0.0862 (4)0.9625 (3)0.0639 (14)
O1W0.7032 (3)0.5815 (3)0.8217 (3)0.0266 (8)
H1WB0.77780.57040.85680.032*
H1WA0.63720.54460.83830.032*
U11U22U33U12U13U23
Ag10.0349 (3)0.1311 (5)0.0321 (3)0.0401 (3)0.0142 (2)0.0360 (3)
Ce10.01710 (15)0.01732 (14)0.01439 (14)0.00767 (11)0.00504 (11)0.00675 (10)
C10.022 (3)0.018 (2)0.019 (2)0.006 (2)0.008 (2)0.005 (2)
C20.020 (3)0.025 (2)0.020 (2)0.012 (2)0.009 (2)0.011 (2)
C30.020 (3)0.025 (2)0.017 (2)0.008 (2)0.003 (2)0.007 (2)
C40.022 (3)0.027 (3)0.021 (3)0.009 (2)0.008 (2)0.009 (2)
C50.026 (3)0.033 (3)0.015 (2)0.015 (2)0.006 (2)0.009 (2)
C60.021 (3)0.021 (2)0.018 (2)0.007 (2)0.004 (2)0.008 (2)
C70.019 (3)0.027 (3)0.024 (3)0.010 (2)0.009 (2)0.012 (2)
C80.022 (3)0.030 (3)0.020 (3)0.009 (2)0.006 (2)0.013 (2)
C90.024 (3)0.026 (3)0.015 (2)0.006 (2)0.005 (2)0.005 (2)
C100.028 (3)0.027 (3)0.025 (3)0.011 (2)0.008 (2)0.013 (2)
C110.026 (3)0.072 (4)0.025 (3)0.019 (3)0.011 (2)0.021 (3)
C120.035 (4)0.081 (5)0.023 (3)0.024 (3)0.006 (3)0.020 (3)
C130.025 (3)0.082 (5)0.040 (4)0.017 (3)0.011 (3)0.030 (3)
C140.032 (3)0.070 (4)0.022 (3)0.011 (3)0.011 (3)0.021 (3)
C150.021 (3)0.024 (3)0.029 (3)0.010 (2)0.008 (2)0.015 (2)
C160.022 (3)0.019 (2)0.026 (3)0.008 (2)0.008 (2)0.012 (2)
C170.034 (3)0.020 (2)0.024 (3)0.010 (2)0.012 (2)0.008 (2)
C180.029 (3)0.024 (3)0.019 (2)0.006 (2)0.009 (2)0.008 (2)
C190.027 (3)0.023 (2)0.024 (3)0.011 (2)0.005 (2)0.013 (2)
C200.023 (3)0.018 (2)0.024 (3)0.007 (2)0.008 (2)0.010 (2)
C210.023 (3)0.023 (2)0.020 (2)0.008 (2)0.006 (2)0.010 (2)
C220.017 (3)0.026 (2)0.022 (3)0.006 (2)0.009 (2)0.011 (2)
C230.041 (3)0.029 (3)0.030 (3)0.007 (3)0.009 (3)0.011 (3)
C240.040 (3)0.030 (3)0.028 (3)0.011 (3)0.013 (3)0.015 (2)
C250.034 (3)0.048 (3)0.032 (3)0.006 (3)0.005 (3)0.011 (3)
C260.041 (4)0.063 (4)0.035 (3)0.020 (3)0.020 (3)0.024 (3)
C270.035 (4)0.076 (4)0.033 (3)0.026 (3)0.013 (3)0.028 (3)
C280.041 (4)0.058 (4)0.028 (3)0.023 (3)0.018 (3)0.024 (3)
N10.026 (3)0.064 (3)0.028 (3)0.016 (2)0.004 (2)0.018 (2)
N20.019 (2)0.030 (2)0.020 (2)0.0024 (18)0.0017 (18)0.0124 (18)
N30.043 (3)0.061 (3)0.030 (3)0.029 (3)0.018 (2)0.023 (2)
N40.036 (3)0.023 (2)0.018 (2)0.0039 (19)0.0031 (19)0.0088 (18)
O10.0193 (18)0.0286 (18)0.0219 (17)0.0091 (15)0.0082 (15)0.0089 (15)
O20.028 (2)0.060 (2)0.0197 (18)0.0253 (19)0.0103 (16)0.0198 (18)
O30.0173 (18)0.038 (2)0.0197 (18)0.0067 (16)0.0035 (15)0.0058 (16)
O40.0186 (19)0.049 (2)0.0256 (19)0.0095 (17)0.0089 (16)0.0045 (17)
O50.025 (2)0.042 (2)0.0259 (19)0.0067 (17)0.0073 (16)0.0177 (17)
O60.043 (2)0.0247 (18)0.0283 (19)0.0201 (17)0.0185 (17)0.0148 (16)
O70.032 (2)0.0250 (17)0.0207 (18)0.0128 (15)0.0115 (15)0.0124 (15)
O80.031 (2)0.0209 (17)0.0209 (18)0.0057 (15)0.0036 (16)0.0054 (15)
O90.0257 (19)0.0216 (17)0.0313 (19)0.0120 (15)0.0069 (16)0.0128 (15)
O100.083 (4)0.044 (2)0.033 (2)−0.021 (2)0.020 (2)0.007 (2)
O1W0.0233 (19)0.0369 (19)0.0245 (18)0.0140 (16)0.0117 (15)0.0134 (16)
Ag1—N1i2.239 (4)C13—N11.318 (7)
Ag1—N32.246 (4)C13—C141.374 (8)
Ag1—O7ii2.306 (3)C13—H130.9300
Ce1—O9iii2.439 (3)C14—H140.9300
Ce1—O8iv2.483 (3)C15—O61.247 (5)
Ce1—O62.485 (3)C15—O71.264 (5)
Ce1—O3v2.493 (3)C15—C161.503 (6)
Ce1—O2vi2.499 (3)C16—C211.383 (6)
Ce1—O12.551 (3)C16—C171.393 (6)
Ce1—O1W2.576 (3)C17—C181.374 (6)
Ce1—O1vi2.685 (3)C17—H170.9300
Ce1—O72.690 (3)C18—C191.390 (6)
C1—O21.237 (5)C18—N41.423 (6)
C1—O11.274 (5)C19—C201.386 (6)
C1—C21.503 (6)C19—H190.9300
C2—C71.383 (6)C20—C211.385 (6)
C2—C31.393 (6)C20—C221.499 (6)
C3—C41.384 (6)C21—H210.9300
C3—H30.9300C22—O91.256 (5)
C4—C51.394 (6)C22—O81.265 (5)
C4—C81.498 (6)C23—O101.224 (6)
C5—C61.364 (6)C23—N41.341 (6)
C5—H50.9300C23—C241.485 (7)
C6—C71.382 (6)C24—C281.376 (8)
C6—N21.416 (6)C24—C251.382 (8)
C7—H70.9300C25—C261.365 (7)
C8—O31.255 (6)C25—H250.9300
C8—O41.260 (5)C26—N31.343 (8)
C9—O51.225 (6)C26—H260.9300
C9—N21.329 (6)C27—N31.335 (7)
C9—C101.503 (7)C27—C281.388 (7)
C10—C141.374 (7)C27—H270.9300
C10—C111.378 (7)C28—H280.9300
C11—C121.371 (7)N2—H20.8600
C11—H110.9300N4—H40.8600
C12—N11.324 (7)O1W—H1WB0.8500
C12—H120.9300O1W—H1WA0.8500
N1i—Ag1—N3121.79 (16)O5—C9—C10121.0 (4)
N1i—Ag1—O7ii124.05 (14)N2—C9—C10115.1 (4)
N3—Ag1—O7ii106.74 (14)C14—C10—C11117.8 (5)
O9iii—Ce1—O8iv133.09 (10)C14—C10—C9122.9 (4)
O9iii—Ce1—O6142.14 (11)C11—C10—C9119.1 (5)
O8iv—Ce1—O676.29 (11)C12—C11—C10118.6 (5)
O9iii—Ce1—O3v83.67 (11)C12—C11—H11120.7
O8iv—Ce1—O3v141.72 (10)C10—C11—H11120.7
O6—Ce1—O3v77.23 (11)N1—C12—C11123.9 (5)
O9iii—Ce1—O2vi77.92 (11)N1—C12—H12118.0
O8iv—Ce1—O2vi105.14 (11)C11—C12—H12118.0
O6—Ce1—O2vi122.35 (10)N1—C13—C14123.5 (5)
O3v—Ce1—O2vi67.59 (10)N1—C13—H13118.2
O9iii—Ce1—O169.33 (10)C14—C13—H13118.2
O8iv—Ce1—O169.60 (10)C10—C14—C13119.1 (5)
O6—Ce1—O1113.51 (10)C10—C14—H14120.4
O3v—Ce1—O1147.60 (10)C13—C14—H14120.4
O2vi—Ce1—O1120.84 (10)O6—C15—O7122.8 (4)
O9iii—Ce1—O1W75.72 (10)O6—C15—C16116.8 (4)
O8iv—Ce1—O1W119.75 (11)O7—C15—C16120.4 (4)
O6—Ce1—O1W67.66 (10)C21—C16—C17119.9 (4)
O3v—Ce1—O1W73.47 (10)C21—C16—C15120.7 (4)
O2vi—Ce1—O1W134.75 (11)C17—C16—C15119.4 (4)
O1—Ce1—O1W82.50 (10)C18—C17—C16120.4 (4)
O9iii—Ce1—O1vi79.04 (10)C18—C17—H17119.8
O8iv—Ce1—O1vi69.80 (10)C16—C17—H17119.8
O6—Ce1—O1vi138.81 (10)C17—C18—C19119.6 (4)
O3v—Ce1—O1vi117.28 (10)C17—C18—N4119.0 (4)
O2vi—Ce1—O1vi49.96 (10)C19—C18—N4121.3 (4)
O1—Ce1—O1vi75.80 (10)C20—C19—C18120.4 (4)
O1W—Ce1—O1vi151.22 (9)C20—C19—H19119.8
O9iii—Ce1—O7147.39 (10)C18—C19—H19119.8
O8iv—Ce1—O772.15 (10)C21—C20—C19119.7 (4)
O6—Ce1—O750.26 (9)C21—C20—C22120.2 (4)
O3v—Ce1—O769.70 (10)C19—C20—C22120.0 (4)
O2vi—Ce1—O774.76 (10)C16—C21—C20120.0 (4)
O1—Ce1—O7141.32 (10)C16—C21—H21120.0
O1W—Ce1—O7112.36 (9)C20—C21—H21120.0
O1vi—Ce1—O796.35 (9)O9—C22—O8125.2 (4)
O9iii—Ce1—C1vi77.77 (11)O9—C22—C20117.9 (4)
O8iv—Ce1—C1vi87.39 (12)O8—C22—C20116.9 (4)
O6—Ce1—C1vi134.58 (11)O10—C23—N4121.8 (5)
O3v—Ce1—C1vi91.94 (12)O10—C23—C24119.4 (5)
O2vi—Ce1—C1vi24.43 (11)N4—C23—C24118.8 (5)
O1—Ce1—C1vi99.20 (11)C28—C24—C25117.2 (5)
O1W—Ce1—C1vi150.89 (12)C28—C24—C23124.7 (5)
O1vi—Ce1—C1vi25.54 (11)C25—C24—C23118.1 (5)
O7—Ce1—C1vi84.49 (10)C26—C25—C24120.1 (6)
O9iii—Ce1—Ce1vi70.04 (7)C26—C25—H25119.9
O8iv—Ce1—Ce1vi63.92 (7)C24—C25—H25119.9
O6—Ce1—Ce1vi137.33 (8)N3—C26—C25122.7 (6)
O3v—Ce1—Ce1vi144.99 (8)N3—C26—H26118.6
O2vi—Ce1—Ce1vi84.17 (7)C25—C26—H26118.6
O1—Ce1—Ce1vi39.05 (7)N3—C27—C28121.9 (6)
O1W—Ce1—Ce1vi119.27 (7)N3—C27—H27119.1
O1vi—Ce1—Ce1vi36.76 (6)C28—C27—H27119.1
O7—Ce1—Ce1vi123.63 (7)C24—C28—C27120.2 (5)
C1vi—Ce1—Ce1vi60.81 (9)C24—C28—H28119.9
O2—C1—O1122.0 (4)C27—C28—H28119.9
O2—C1—C2119.2 (4)C13—N1—C12116.9 (5)
O1—C1—C2118.8 (4)C13—N1—Ag1i123.5 (4)
O2—C1—Ce1vi56.7 (2)C12—N1—Ag1i116.1 (3)
O1—C1—Ce1vi65.3 (2)C9—N2—C6125.4 (4)
C2—C1—Ce1vi175.4 (3)C9—N2—H2117.3
C7—C2—C3120.4 (4)C6—N2—H2117.3
C7—C2—C1119.1 (4)C27—N3—C26117.9 (5)
C3—C2—C1120.4 (4)C27—N3—Ag1121.3 (4)
C4—C3—C2119.2 (4)C26—N3—Ag1120.8 (4)
C4—C3—H3120.4C23—N4—C18122.0 (4)
C2—C3—H3120.4C23—N4—H4119.0
C3—C4—C5119.6 (4)C18—N4—H4119.0
C3—C4—C8120.7 (4)C1—O1—Ce1152.6 (3)
C5—C4—C8119.5 (4)C1—O1—Ce1vi89.1 (3)
C6—C5—C4120.9 (4)Ce1—O1—Ce1vi104.20 (10)
C6—C5—H5119.6C1—O2—Ce1vi98.9 (3)
C4—C5—H5119.6C8—O3—Ce1vii137.7 (3)
C5—C6—C7120.0 (4)C15—O6—Ce197.7 (3)
C5—C6—N2122.7 (4)C15—O7—Ag1viii119.3 (3)
C7—C6—N2117.2 (4)C15—O7—Ce187.7 (2)
C6—C7—C2119.9 (4)Ag1viii—O7—Ce1107.58 (12)
C6—C7—H7120.1C22—O8—Ce1iv131.5 (3)
C2—C7—H7120.1C22—O9—Ce1ix129.5 (3)
O3—C8—O4124.5 (4)Ce1—O1W—H1WB108.0
O3—C8—C4118.0 (4)Ce1—O1W—H1WA107.2
O4—C8—C4117.4 (4)H1WB—O1W—H1WA107.1
O5—C9—N2123.9 (4)
O2—C1—C2—C7−160.8 (4)N1i—Ag1—N3—C26140.5 (4)
O1—C1—C2—C719.1 (6)O7ii—Ag1—N3—C26−10.4 (5)
O2—C1—C2—C317.6 (7)O10—C23—N4—C187.5 (8)
O1—C1—C2—C3−162.4 (4)C24—C23—N4—C18−172.8 (4)
C7—C2—C3—C4−0.3 (7)C17—C18—N4—C23124.9 (5)
C1—C2—C3—C4−178.7 (4)C19—C18—N4—C23−52.0 (7)
C2—C3—C4—C5−0.5 (7)O2—C1—O1—Ce1−118.1 (6)
C2—C3—C4—C8173.2 (4)C2—C1—O1—Ce162.0 (8)
C3—C4—C5—C60.5 (7)Ce1vi—C1—O1—Ce1−120.2 (6)
C8—C4—C5—C6−173.3 (4)O2—C1—O1—Ce1vi2.1 (4)
C4—C5—C6—C70.3 (7)C2—C1—O1—Ce1vi−177.8 (4)
C4—C5—C6—N2177.7 (4)O9iii—Ce1—O1—C1−159.6 (6)
C5—C6—C7—C2−1.0 (7)O8iv—Ce1—O1—C143.6 (6)
N2—C6—C7—C2−178.6 (4)O6—Ce1—O1—C1−20.4 (6)
C3—C2—C7—C61.0 (7)O3v—Ce1—O1—C1−124.1 (6)
C1—C2—C7—C6179.4 (4)O2vi—Ce1—O1—C1139.5 (6)
C3—C4—C8—O329.7 (7)O1W—Ce1—O1—C1−82.1 (6)
C5—C4—C8—O3−156.5 (4)O1vi—Ce1—O1—C1117.0 (7)
C3—C4—C8—O4−147.4 (4)O7—Ce1—O1—C134.7 (7)
C5—C4—C8—O426.3 (6)C1vi—Ce1—O1—C1127.3 (6)
O5—C9—C10—C14139.0 (5)Ce1vi—Ce1—O1—C1117.0 (7)
N2—C9—C10—C14−38.8 (7)O9iii—Ce1—O1—Ce1vi83.44 (12)
O5—C9—C10—C11−36.7 (7)O8iv—Ce1—O1—Ce1vi−73.38 (11)
N2—C9—C10—C11145.5 (5)O6—Ce1—O1—Ce1vi−137.43 (11)
C14—C10—C11—C12−1.0 (8)O3v—Ce1—O1—Ce1vi118.93 (17)
C9—C10—C11—C12174.9 (5)O2vi—Ce1—O1—Ce1vi22.50 (16)
C10—C11—C12—N1−2.4 (10)O1W—Ce1—O1—Ce1vi160.95 (12)
C11—C10—C14—C132.4 (8)O1vi—Ce1—O1—Ce1vi0.0
C9—C10—C14—C13−173.4 (5)O7—Ce1—O1—Ce1vi−82.34 (16)
N1—C13—C14—C10−0.5 (10)C1vi—Ce1—O1—Ce1vi10.33 (13)
O6—C15—C16—C21151.8 (5)O1—C1—O2—Ce1vi−2.3 (5)
O7—C15—C16—C21−28.0 (7)C2—C1—O2—Ce1vi177.6 (3)
O6—C15—C16—C17−26.0 (7)O4—C8—O3—Ce1vii26.3 (8)
O7—C15—C16—C17154.2 (5)C4—C8—O3—Ce1vii−150.6 (3)
C21—C16—C17—C182.2 (7)O7—C15—O6—Ce1−13.1 (5)
C15—C16—C17—C18180.0 (4)C16—C15—O6—Ce1167.0 (4)
C16—C17—C18—C19−1.7 (8)O9iii—Ce1—O6—C15−129.0 (3)
C16—C17—C18—N4−178.7 (4)O8iv—Ce1—O6—C1584.7 (3)
C17—C18—C19—C200.0 (7)O3v—Ce1—O6—C15−67.4 (3)
N4—C18—C19—C20176.9 (5)O2vi—Ce1—O6—C15−14.7 (3)
C18—C19—C20—C211.2 (7)O1—Ce1—O6—C15144.9 (3)
C18—C19—C20—C22−175.0 (4)O1W—Ce1—O6—C15−144.5 (3)
C17—C16—C21—C20−1.0 (7)O1vi—Ce1—O6—C1549.7 (4)
C15—C16—C21—C20−178.7 (4)O7—Ce1—O6—C156.7 (3)
C19—C20—C21—C16−0.7 (7)C1vi—Ce1—O6—C1512.6 (4)
C22—C20—C21—C16175.4 (4)Ce1vi—Ce1—O6—C15105.9 (3)
C21—C20—C22—O9165.3 (4)O6—C15—O7—Ag1viii121.0 (4)
C19—C20—C22—O9−18.5 (6)C16—C15—O7—Ag1viii−59.2 (5)
C21—C20—C22—O8−15.4 (7)O6—C15—O7—Ce112.0 (5)
C19—C20—C22—O8160.8 (4)C16—C15—O7—Ce1−168.1 (4)
O10—C23—C24—C28137.3 (6)O9iii—Ce1—O7—C15120.7 (3)
N4—C23—C24—C28−42.4 (8)O8iv—Ce1—O7—C15−93.3 (3)
O10—C23—C24—C25−40.9 (8)O6—Ce1—O7—C15−6.6 (3)
N4—C23—C24—C25139.4 (5)O3v—Ce1—O7—C1583.5 (3)
C28—C24—C25—C26−0.8 (8)O2vi—Ce1—O7—C15154.8 (3)
C23—C24—C25—C26177.5 (5)O1—Ce1—O7—C15−84.5 (3)
C24—C25—C26—N3−0.3 (9)O1W—Ce1—O7—C1522.2 (3)
C25—C24—C28—C271.4 (8)O1vi—Ce1—O7—C15−159.7 (3)
C23—C24—C28—C27−176.8 (5)C1vi—Ce1—O7—C15177.6 (3)
N3—C27—C28—C24−0.9 (9)Ce1vi—Ce1—O7—C15−133.1 (3)
C14—C13—N1—C12−2.7 (10)O9iii—Ce1—O7—Ag1viii0.7 (2)
C14—C13—N1—Ag1i154.9 (5)O8iv—Ce1—O7—Ag1viii146.62 (14)
C11—C12—N1—C134.2 (10)O6—Ce1—O7—Ag1viii−126.60 (18)
C11—C12—N1—Ag1i−155.1 (5)O3v—Ce1—O7—Ag1viii−36.53 (12)
O5—C9—N2—C6−7.6 (7)O2vi—Ce1—O7—Ag1viii34.77 (12)
C10—C9—N2—C6170.2 (4)O1—Ce1—O7—Ag1viii155.43 (12)
C5—C6—N2—C945.2 (7)O1W—Ce1—O7—Ag1viii−97.83 (13)
C7—C6—N2—C9−137.3 (5)O1vi—Ce1—O7—Ag1viii80.25 (12)
C28—C27—N3—C26−0.2 (8)C1vi—Ce1—O7—Ag1viii57.59 (13)
C28—C27—N3—Ag1−179.0 (4)Ce1vi—Ce1—O7—Ag1viii106.86 (10)
C25—C26—N3—C270.8 (9)O9—C22—O8—Ce1iv65.6 (6)
C25—C26—N3—Ag1179.6 (4)C20—C22—O8—Ce1iv−113.6 (4)
N1i—Ag1—N3—C27−40.7 (5)O8—C22—O9—Ce1ix−41.8 (6)
O7ii—Ag1—N3—C27168.3 (4)C20—C22—O9—Ce1ix137.4 (3)
D—H···AD—HH···AD···AD—H···A
O1W—H1WA···O5x0.852.082.836 (5)147
O1W—H1WB···O4v0.852.012.691 (6)137
N2—H2···O10iii0.862.012.788 (7)149
N4—H4···O4x0.862.082.926 (6)167
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
O1W—H1WA⋯O5i0.852.082.836 (5)147
O1W—H1WB⋯O4ii0.852.012.691 (6)137
N2—H2⋯O10iii0.862.012.788 (7)149
N4—H4⋯O4i0.862.082.926 (6)167

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

  6 in total

1.  A 3D coordination framework based on linkages of nanosized hydroxo lanthanide clusters and copper centers by isonicotinate ligands.

Authors:  Man-Bo Zhang; Jie Zhang; Shou-Tian Zheng; Guo-Yu Yang
Journal:  Angew Chem Int Ed Engl       Date:  2005-02-18       Impact factor: 15.336

2.  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

3.  A short history of SHELX.

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

4.  Structural, electronic, and magnetic consequences of O-carbonyl vs O-alkoxy ester coordination in new dicopper complexes containing the Cu2(mu-Cl)2 core.

Authors:  Pratibha Kapoor; Anuradha Pathak; Ramesh Kapoor; Paloth Venugopalan; Montserrat Corbella; Montserrat Rodríguez; Juvencio Robles; Antoni Llobet
Journal:  Inorg Chem       Date:  2002-11-18       Impact factor: 5.165

5.  Synthesis, structures, and magnetic properties of novel mononuclear, tetranuclear, and 1D chain Mn(III) complexes involving three related asymmetrical trianionic ligands.

Authors:  Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Jesus Rodriguez Douton; Maria-Isabel Fernandez Garcia; Azzedine Bousseksou; Jean-Pierre Tuchagues
Journal:  Inorg Chem       Date:  2004-04-19       Impact factor: 5.165

6.  Supramolecular isomerism in coordination compounds: nanoscale molecular hexagons and chains.

Authors:  Heba Abourahma; Brian Moulton; Victor Kravtsov; Michael J Zaworotko
Journal:  J Am Chem Soc       Date:  2002-08-28       Impact factor: 15.419

  6 in total
  2 in total

1.  Poly[[diaqua-bis-(μ(3)-3-carboxyl-ato-4-hy-droxy-benzene-sulfonato)-tri-μ(2)-pyrazine-tetra-silver(I)] dihydrate].

Authors:  Ying-Ying Liu; Shen-Tang Wang; Yong-Sheng Yan
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-10-22

2.  Poly[[aqua-[μ(5)-5-(isonicotinamido)-isophthalato][μ(4)-5-(isonicotinamido)-isophthalato]holmium(III)silver(I)] dihydrate].

Authors:  Xue Nie; Jing-Nian Qu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-06-30
  2 in total

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