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In the crystal structure of the title compound, [Co2(C14H8O5)2(C12H8N2)2(H2O)2]n, the dianion functions as a bridging ligand, bonding through both carboxyl –CO2 end groups to link symmetry-related [Co(C12H8N2)(H2O)] entities into a ribbon structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805001558/lh6352sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805001558/lh6352Isup2.hkl
Contains datablock I

CCDC reference: 263566

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.034
  • wR factor = 0.092
  • Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 46.00 A   3 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

catena-Poly[bis[aqua(1,10-phenanthroline-κ2N,N')cobalt(II)]- di-µ-4,4'-oxydibenzoato-1:2κ4O:O'] top
Crystal data top
[Co2(C14H8O5)2(C12H8N2)2(H2O)2]Z = 1
Mr = 1026.71F(000) = 526
Triclinic, P1Dx = 1.521 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.7129 (4) ÅCell parameters from 5331 reflections
b = 11.5063 (6) Åθ = 2.5–28.3°
c = 13.3854 (7) ŵ = 0.81 mm1
α = 82.614 (1)°T = 295 K
β = 83.165 (1)°Prism, red
γ = 72.724 (1)°0.34 × 0.27 × 0.23 mm
V = 1120.8 (1) Å3
Data collection top
Bruker APEX CCD area-detector
diffractometer
4919 independent reflections
Radiation source: fine-focus sealed tube4510 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.014
φ and ω scansθmax = 27.5°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1010
Tmin = 0.770, Tmax = 0.835k = 1414
9587 measured reflectionsl = 1717
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0553P)2 + 0.3018P]
where P = (Fo2 + 2Fc2)/3
4919 reflections(Δ/σ)max = 0.001
324 parametersΔρmax = 0.40 e Å3
2 restraintsΔρmin = 0.30 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.68260 (3)0.38248 (2)0.98543 (2)0.02611 (9)
O10.6287 (2)0.3452 (1)0.8484 (1)0.0349 (3)
O20.8920 (2)0.3034 (1)0.7509 (1)0.0445 (3)
O30.3672 (2)0.1601 (2)0.4856 (1)0.0525 (4)
O40.2529 (2)0.2905 (1)0.0214 (1)0.0395 (3)
O50.4044 (2)0.4237 (1)0.0378 (1)0.0280 (2)
O1W0.9417 (2)0.3862 (1)0.9200 (1)0.0395 (3)
N10.7753 (2)0.3703 (1)1.1304 (1)0.0287 (3)
N20.7385 (2)0.1897 (1)1.0352 (1)0.0303 (3)
C10.7856 (3)0.4619 (2)1.1776 (1)0.0356 (4)
C20.8546 (3)0.4440 (2)1.2723 (2)0.0436 (5)
C30.9113 (3)0.3282 (2)1.3193 (2)0.0413 (4)
C40.8998 (2)0.2290 (2)1.2722 (1)0.0334 (4)
C50.9545 (3)0.1043 (2)1.3155 (2)0.0409 (4)
C60.9363 (3)0.0128 (2)1.2670 (2)0.0422 (5)
C70.8616 (2)0.0373 (2)1.1711 (2)0.0356 (4)
C80.8338 (3)0.0532 (2)1.1190 (2)0.0430 (5)
C90.7588 (3)0.0213 (2)1.0285 (2)0.0456 (5)
C100.7125 (3)0.1015 (2)0.9892 (2)0.0383 (4)
C110.8109 (2)0.1581 (2)1.1257 (1)0.0291 (3)
C120.8301 (2)0.2551 (2)1.1771 (1)0.0288 (3)
C130.7282 (2)0.3078 (2)0.7698 (1)0.0313 (4)
C140.6345 (2)0.2670 (2)0.6943 (1)0.0325 (4)
C150.4624 (3)0.2520 (2)0.7182 (1)0.0389 (4)
C160.3719 (3)0.2190 (2)0.6476 (1)0.0417 (4)
C170.4580 (3)0.1990 (2)0.5522 (1)0.0388 (4)
C180.6315 (3)0.2100 (2)0.5275 (2)0.0508 (5)
C190.7187 (3)0.2439 (2)0.5981 (1)0.0448 (5)
C200.3327 (2)0.3367 (2)0.0721 (1)0.0263 (3)
C210.3539 (2)0.2894 (2)0.1816 (1)0.0270 (3)
C220.3579 (3)0.1695 (2)0.2149 (1)0.0323 (4)
C230.3731 (3)0.1259 (2)0.3160 (1)0.0361 (4)
C240.3760 (3)0.2052 (2)0.3842 (1)0.0364 (4)
C250.3739 (3)0.3248 (2)0.3529 (1)0.0414 (5)
C260.3663 (3)0.3656 (2)0.2509 (1)0.0351 (4)
H1W10.950 (4)0.360 (2)0.863 (1)0.075 (9)*
H1W21.040 (2)0.357 (2)0.947 (2)0.054 (7)*
H10.74550.54121.14670.043*
H20.86170.51041.30300.052*
H30.95740.31521.38220.050*
H51.00330.08601.37780.049*
H60.97310.06731.29660.051*
H80.86640.13451.14610.052*
H90.73880.08030.99360.055*
H100.66090.12240.92760.046*
H150.40600.26420.78290.047*
H160.25550.21050.66420.050*
H180.68940.19460.46350.061*
H190.83570.25150.58120.054*
H220.35020.11760.16880.039*
H230.38120.04450.33740.043*
H250.37760.37720.39950.050*
H260.36950.44500.22880.042*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0297 (1)0.0245 (1)0.0245 (1)0.0072 (1)0.0059 (1)0.0016 (1)
O10.0399 (7)0.0392 (7)0.0275 (6)0.0111 (5)0.0050 (5)0.0087 (5)
O20.0381 (8)0.0598 (9)0.0365 (7)0.0118 (6)0.0032 (6)0.0127 (6)
O30.0854 (12)0.0641 (10)0.0242 (7)0.0461 (9)0.0149 (7)0.0060 (6)
O40.0517 (8)0.0378 (7)0.0361 (7)0.0194 (6)0.0213 (6)0.0023 (6)
O50.0310 (6)0.0246 (6)0.0275 (6)0.0077 (5)0.0033 (5)0.0011 (5)
O1W0.0309 (7)0.0523 (9)0.0366 (7)0.0117 (6)0.0064 (6)0.0059 (6)
N10.0291 (7)0.0279 (7)0.0292 (7)0.0079 (6)0.0054 (6)0.0015 (6)
N20.0322 (7)0.0270 (7)0.0309 (7)0.0063 (6)0.0050 (6)0.0032 (6)
C10.041 (1)0.030 (1)0.038 (1)0.011 (1)0.009 (1)0.003 (1)
C20.053 (1)0.044 (1)0.040 (1)0.017 (1)0.013 (1)0.010 (1)
C30.043 (1)0.051 (1)0.031 (1)0.013 (1)0.013 (1)0.002 (1)
C40.029 (1)0.039 (1)0.030 (1)0.009 (1)0.005 (1)0.001 (1)
C50.038 (1)0.047 (1)0.034 (1)0.008 (1)0.010 (1)0.009 (1)
C60.042 (1)0.033 (1)0.045 (1)0.004 (1)0.009 (1)0.010 (1)
C70.034 (1)0.028 (1)0.040 (1)0.005 (1)0.002 (1)0.003 (1)
C80.050 (1)0.025 (1)0.051 (1)0.008 (1)0.003 (1)0.001 (1)
C90.059 (1)0.029 (1)0.052 (1)0.016 (1)0.007 (1)0.008 (1)
C100.048 (1)0.032 (1)0.037 (1)0.012 (1)0.008 (1)0.005 (1)
C110.026 (1)0.027 (1)0.032 (1)0.004 (1)0.002 (1)0.001 (1)
C120.025 (1)0.030 (1)0.030 (1)0.006 (1)0.003 (1)0.000 (1)
C130.038 (1)0.027 (1)0.027 (1)0.003 (1)0.007 (1)0.001 (1)
C140.038 (1)0.031 (1)0.026 (1)0.005 (1)0.007 (1)0.001 (1)
C150.049 (1)0.043 (1)0.026 (1)0.015 (1)0.001 (1)0.008 (1)
C160.051 (1)0.048 (1)0.032 (1)0.024 (1)0.005 (1)0.002 (1)
C170.056 (1)0.039 (1)0.025 (1)0.018 (1)0.012 (1)0.001 (1)
C180.055 (1)0.076 (2)0.023 (1)0.019 (1)0.003 (1)0.010 (1)
C190.040 (1)0.066 (1)0.028 (1)0.014 (1)0.005 (1)0.005 (1)
C200.027 (1)0.024 (1)0.027 (1)0.004 (1)0.006 (1)0.001 (1)
C210.026 (1)0.030 (1)0.026 (1)0.009 (1)0.006 (1)0.001 (1)
C220.043 (1)0.029 (1)0.028 (1)0.013 (1)0.007 (1)0.003 (1)
C230.048 (1)0.032 (1)0.030 (1)0.016 (1)0.009 (1)0.004 (1)
C240.046 (1)0.045 (1)0.024 (1)0.020 (1)0.009 (1)0.002 (1)
C250.062 (1)0.042 (1)0.029 (1)0.024 (1)0.010 (1)0.007 (1)
C260.048 (1)0.030 (1)0.031 (1)0.017 (1)0.008 (1)0.001 (1)
Geometric parameters (Å, º) top
Co1—O12.053 (1)C14—C191.392 (3)
Co1—O5i2.108 (1)C15—C161.390 (3)
Co1—O5ii2.122 (1)C16—C171.380 (3)
Co1—O1W2.094 (1)C17—C181.379 (3)
Co1—N12.121 (1)C18—C191.379 (3)
Co1—N22.161 (1)C20—C211.506 (2)
O1—C131.268 (2)C21—C261.385 (2)
O2—C131.246 (2)C21—C221.386 (2)
O3—C171.386 (2)C22—C231.388 (2)
O3—C241.391 (2)C23—C241.377 (3)
O4—C201.228 (2)C24—C251.382 (3)
O5—C201.292 (2)C25—C261.388 (2)
N1—C11.322 (2)O1W—H1W10.85 (1)
N1—C121.358 (2)O1W—H1W20.84 (1)
N2—C101.326 (2)C1—H10.93
N2—C111.357 (2)C2—H20.93
C1—C21.401 (3)C3—H30.93
C2—C31.366 (3)C5—H50.93
C3—C41.403 (3)C6—H60.93
C4—C121.403 (2)C8—H80.93
C4—C51.434 (3)C9—H90.93
C5—C61.354 (3)C10—H100.93
C6—C71.431 (3)C15—H150.93
C7—C81.403 (3)C16—H160.93
C7—C111.404 (2)C18—H180.93
C8—C91.365 (3)C19—H190.93
C9—C101.398 (3)C22—H220.93
C11—C121.435 (2)C23—H230.93
C13—C141.504 (2)C25—H250.93
C14—C151.384 (3)C26—H260.93
O1—Co1—O5i91.30 (5)C18—C17—C16120.8 (2)
O1—Co1—O5ii98.51 (5)C18—C17—O3122.0 (2)
O1—Co1—O1W88.10 (5)C16—C17—O3117.1 (2)
O1—Co1—N1164.66 (5)C17—C18—C19119.6 (2)
O1—Co1—N288.34 (5)C18—C19—C14121.0 (2)
O5i—Co1—O5ii77.47 (5)O4—C20—O5124.5 (2)
O5i—Co1—O1W166.14 (5)O4—C20—C21119.3 (2)
O5i—Co1—N194.90 (5)O5—C20—C21116.2 (1)
O5i—Co1—N294.16 (5)C26—C21—C22119.0 (2)
O5ii—Co1—O1W88.92 (5)C26—C21—C20120.5 (2)
O5ii—Co1—N196.53 (5)C22—C21—C20120.5 (2)
O5ii—Co1—N2169.23 (5)C21—C22—C23120.9 (2)
O1W—Co1—N189.18 (6)C24—C23—C22119.0 (2)
O1W—Co1—N299.66 (6)C23—C24—C25121.2 (2)
N1—Co1—N277.24 (6)C23—C24—O3115.9 (2)
C13—O1—Co1133.6 (1)C25—C24—O3122.7 (2)
C17—O3—C24119.1 (2)C24—C25—C26119.0 (2)
C20—O5—Co1iii120.2 (1)C21—C26—C25120.8 (2)
C20—O5—Co1ii137.3 (1)Co1—O1W—H1W1105 (2)
Co1iii—O5—Co1ii102.53 (5)Co1—O1W—H1W2126 (2)
C1—N1—C12118.4 (2)H1W1—O1W—H1W2111 (3)
C1—N1—Co1126.8 (1)N1—C1—H1118.7
C12—N1—Co1114.9 (1)C2—C1—H1118.7
C10—N2—C11117.7 (2)C3—C2—H2120.3
C10—N2—Co1128.8 (1)C1—C2—H2120.3
C11—N2—Co1113.5 (1)C2—C3—H3120.1
N1—C1—C2122.5 (2)C4—C3—H3120.1
C3—C2—C1119.3 (2)C6—C5—H5119.5
C2—C3—C4119.7 (2)C4—C5—H5119.5
C3—C4—C12117.1 (2)C5—C6—H6119.4
C3—C4—C5124.0 (2)C7—C6—H6119.4
C12—C4—C5118.9 (2)C9—C8—H8120.1
C6—C5—C4121.1 (2)C7—C8—H8120.1
C5—C6—C7121.1 (2)C8—C9—H9120.5
C8—C7—C11117.3 (2)C10—C9—H9120.5
C8—C7—C6123.7 (2)N2—C10—H10118.4
C11—C7—C6119.1 (2)C9—C10—H10118.4
C9—C8—C7119.7 (2)C14—C15—H15119.3
C8—C9—C10119.0 (2)C16—C15—H15119.3
N2—C10—C9123.3 (2)C17—C16—H16120.6
N2—C11—C7123.1 (2)C15—C16—H16120.6
N2—C11—C12117.2 (1)C17—C18—H18120.2
C7—C11—C12119.8 (2)C19—C18—H18120.2
N1—C12—C4122.9 (2)C18—C19—H19119.5
N1—C12—C11117.1 (2)C14—C19—H19119.5
C4—C12—C11120.0 (2)C21—C22—H22119.5
O2—C13—O1125.8 (2)C23—C22—H22119.5
O2—C13—C14119.0 (2)C24—C23—H23120.5
O1—C13—C14115.2 (2)C22—C23—H23120.5
C15—C14—C19118.2 (2)C24—C25—H25120.5
C15—C14—C13121.1 (2)C26—C25—H25120.5
C19—C14—C13120.7 (2)C21—C26—H26119.6
C14—C15—C16121.5 (2)C25—C26—H26119.6
C17—C16—C15118.8 (2)
O1W—Co1—O1—C1316.7 (2)C1—N1—C12—C41.1 (3)
O5i—Co1—O1—C13177.2 (2)Co1—N1—C12—C4178.4 (1)
N1—Co1—O1—C1363.2 (3)C1—N1—C12—C11177.7 (2)
O5ii—Co1—O1—C13105.3 (2)Co1—N1—C12—C112.8 (2)
N2—Co1—O1—C1383.0 (2)C3—C4—C12—N10.1 (3)
O1—Co1—N1—C1162.5 (2)C5—C4—C12—N1179.9 (2)
O1W—Co1—N1—C182.8 (2)C3—C4—C12—C11178.6 (2)
O5i—Co1—N1—C184.0 (2)C5—C4—C12—C111.3 (3)
O5ii—Co1—N1—C16.1 (2)N2—C11—C12—N10.4 (2)
N2—Co1—N1—C1177.2 (2)C7—C11—C12—N1178.6 (2)
O1—Co1—N1—C1216.9 (3)N2—C11—C12—C4178.4 (2)
O1W—Co1—N1—C1296.7 (1)C7—C11—C12—C40.2 (2)
O5i—Co1—N1—C1296.6 (1)Co1—O1—C13—O213.3 (3)
O5ii—Co1—N1—C12174.5 (1)Co1—O1—C13—C14167.3 (1)
N2—Co1—N1—C123.4 (1)O2—C13—C14—C15169.8 (2)
O1—Co1—N2—C108.5 (2)O1—C13—C14—C1510.7 (2)
O1W—Co1—N2—C1096.2 (2)O2—C13—C14—C1910.5 (3)
O5i—Co1—N2—C1082.7 (2)O1—C13—C14—C19169.0 (2)
N1—Co1—N2—C10176.8 (2)C19—C14—C15—C162.2 (3)
O5ii—Co1—N2—C10121.3 (3)C13—C14—C15—C16177.4 (2)
O1—Co1—N2—C11171.1 (1)C14—C15—C16—C171.1 (3)
O1W—Co1—N2—C1183.3 (1)C15—C16—C17—C180.8 (3)
O5i—Co1—N2—C1197.7 (1)C15—C16—C17—O3176.8 (2)
N1—Co1—N2—C113.6 (1)C24—O3—C17—C1842.6 (3)
O5ii—Co1—N2—C1159.1 (3)C24—O3—C17—C16141.5 (2)
C12—N1—C1—C21.5 (3)C16—C17—C18—C191.4 (3)
Co1—N1—C1—C2177.9 (1)O3—C17—C18—C19177.2 (2)
N1—C1—C2—C31.0 (3)C17—C18—C19—C140.1 (4)
C1—C2—C3—C40.0 (3)C15—C14—C19—C181.6 (3)
C2—C3—C4—C120.4 (3)C13—C14—C19—C18178.1 (2)
C2—C3—C4—C5179.6 (2)Co1iii—O5—C20—O494.4 (2)
C3—C4—C5—C6178.6 (2)Co1ii—O5—C20—O485.1 (2)
C12—C4—C5—C61.4 (3)Co1iii—O5—C20—C2184.4 (2)
C4—C5—C6—C70.1 (3)Co1ii—O5—C20—C2196.0 (2)
C5—C6—C7—C8177.8 (2)O4—C20—C21—C26151.5 (2)
C5—C6—C7—C111.7 (3)O5—C20—C21—C2629.7 (2)
C11—C7—C8—C90.6 (3)O4—C20—C21—C2227.3 (2)
C6—C7—C8—C9178.9 (2)O5—C20—C21—C22151.6 (2)
C7—C8—C9—C100.5 (3)C26—C21—C22—C230.3 (3)
C11—N2—C10—C91.1 (3)C20—C21—C22—C23178.5 (2)
Co1—N2—C10—C9178.4 (2)C21—C22—C23—C242.9 (3)
C8—C9—C10—N20.3 (3)C22—C23—C24—C253.5 (3)
C10—N2—C11—C71.1 (3)C22—C23—C24—O3171.8 (2)
Co1—N2—C11—C7178.5 (1)C17—O3—C24—C23147.1 (2)
C10—N2—C11—C12177.0 (2)C17—O3—C24—C2537.7 (3)
Co1—N2—C11—C123.4 (2)C23—C24—C25—C260.9 (3)
C8—C7—C11—N20.3 (3)O3—C24—C25—C26174.1 (2)
C6—C7—C11—N2179.8 (2)C22—C21—C26—C253.0 (3)
C8—C7—C11—C12177.8 (2)C20—C21—C26—C25175.8 (2)
C6—C7—C11—C121.7 (3)C24—C25—C26—C212.4 (3)
Symmetry codes: (i) x, y, z+1; (ii) x+1, y+1, z+1; (iii) x, y, z1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O20.85 (1)1.86 (2)2.675 (2)161 (3)
O1W—H1W2···O4iv0.84 (1)1.93 (1)2.764 (2)175 (2)
Symmetry code: (iv) x+1, y, z+1.
 

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