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In the title compound, {[Co(C10H8N2)(H2O)4](C10H8O6)·0.5C10H8N2·2H2O}n, the Co atoms are bridged into a chain by 4,4′-bipyridine units; both the bridging and the uncoordin­ated 4,4′-bipyridine mol­ecules are arranged around inversion centres and are centrosymmetric. Two-dimensional `fishing-net' layers are built up through O—H...N hydrogen-bond inter­actions. The diacid anions and uncoordinated water mol­ecules fill the space between the layers. A three-dimensional supra­molecular network is built up by O—H...O and O—H...N hydrogen-bond inter­actions between water mol­ecules, anions and 4,4′-bipyridine mol­ecules.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806041675/dn2068sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806041675/dn2068Isup2.hkl
Contains datablock I

CCDC reference: 627486

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.031
  • wR factor = 0.081
  • Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C23 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.42
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXL97.

catena-Poly[[[tetraaquacobalt(II)]-µ-4,4'-bipyridine-κ2N:N'] 1,2-phenylenedioxydiacetate 4,4'-bipyridine hemisolvate dihydrate] top
Crystal data top
[Co(C10H8N2)(H2O)4](C10H8O6)·0.5C10H8N2·2H2OZ = 2
Mr = 625.47F(000) = 652
Triclinic, P1Dx = 1.496 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.7417 (19) ÅCell parameters from 12088 reflections
b = 11.443 (2) Åθ = 6.1–55.0°
c = 13.916 (3) ŵ = 0.69 mm1
α = 73.19 (3)°T = 295 K
β = 80.46 (3)°Block, pink
γ = 69.63 (3)°0.37 × 0.31 × 0.31 mm
V = 1388.5 (6) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
6302 independent reflections
Radiation source: fine-focus sealed tube5567 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.025
ω scansθmax = 27.5°, θmin = 3.1°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 1212
Tmin = 0.784, Tmax = 0.816k = 1414
13729 measured reflectionsl = 1817
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)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.081H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0398P)2 + 0.4504P]
where P = (Fo2 + 2Fc2)/3
6302 reflections(Δ/σ)max = 0.001
370 parametersΔρmax = 0.40 e Å3
0 restraintsΔρmin = 0.33 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.67821 (19)0.62357 (15)0.75979 (13)0.0330 (4)
H10.61160.66830.80320.040*
C20.67412 (19)0.50373 (15)0.76087 (13)0.0327 (3)
H20.60580.46970.80380.039*
C30.77310 (17)0.43451 (14)0.69721 (11)0.0255 (3)
C40.87208 (19)0.49106 (15)0.63572 (12)0.0310 (3)
H30.94100.44780.59250.037*
C50.86824 (19)0.61173 (15)0.63878 (12)0.0303 (3)
H40.93520.64810.59640.036*
C60.77319 (17)0.30516 (14)0.69630 (11)0.0257 (3)
C70.64704 (18)0.26852 (15)0.72454 (14)0.0331 (4)
H50.55970.32570.74410.040*
C80.65279 (18)0.14681 (15)0.72329 (13)0.0316 (3)
H60.56740.12430.74200.038*
C90.89546 (18)0.09477 (15)0.66942 (12)0.0284 (3)
H70.98130.03540.65050.034*
C100.89947 (18)0.21493 (15)0.66790 (12)0.0302 (3)
H80.98620.23510.64800.036*
C110.6875 (2)0.5367 (2)1.42484 (15)0.0503 (5)
H90.65640.48271.48150.060*
C120.6638 (2)0.6627 (2)1.42356 (17)0.0565 (6)
H100.61630.69431.47890.068*
C130.7107 (2)0.7416 (2)1.33998 (18)0.0508 (5)
H110.69510.82681.33920.061*
C140.7808 (2)0.69642 (17)1.25717 (15)0.0413 (4)
H120.81100.75141.20080.050*
C150.80628 (18)0.56933 (15)1.25778 (12)0.0312 (3)
C160.75723 (18)0.48936 (16)1.34248 (13)0.0352 (4)
C170.6697 (2)0.31574 (19)1.35203 (17)0.0469 (5)
H130.65010.31811.28530.056*
H140.58320.37241.38010.056*
C180.69872 (18)0.17978 (15)1.41760 (12)0.0287 (3)
C190.9810 (2)0.56981 (18)1.11544 (13)0.0379 (4)
H161.06230.50131.09530.045*
H151.02020.60961.15250.045*
C200.9198 (2)0.67004 (18)1.02088 (12)0.0354 (4)
C210.2652 (2)0.9489 (2)0.84590 (15)0.0488 (5)
H170.29040.93810.78090.059*
C220.1203 (2)0.9703 (2)0.88266 (14)0.0443 (4)
H180.05140.97240.84270.053*
C230.07717 (18)0.98843 (16)0.97849 (13)0.0322 (3)
C240.1865 (2)0.9823 (3)1.03254 (17)0.0592 (6)
H190.16460.99371.09750.071*
C250.3288 (2)0.9592 (3)0.9904 (2)0.0674 (7)
H200.40040.95461.02930.081*
Co10.77598 (2)0.867739 (17)0.701167 (14)0.01980 (7)
N10.77282 (14)0.67902 (11)0.69973 (10)0.0255 (3)
N20.77463 (14)0.05954 (12)0.69663 (9)0.0252 (3)
N30.37040 (18)0.94304 (17)0.89851 (14)0.0478 (4)
O10.66439 (12)0.85815 (11)0.84043 (8)0.0311 (2)
H210.57350.88930.85230.047*
H220.70670.80940.89180.047*
O20.97600 (12)0.78816 (11)0.76942 (8)0.0304 (2)
H230.97760.76830.83300.046*
H241.04190.72980.74650.046*
O30.89995 (12)0.87684 (10)0.56218 (8)0.0283 (2)
H250.99150.85970.56170.042*
H260.86300.95030.52390.042*
O40.58164 (13)0.96032 (11)0.62452 (9)0.0335 (3)
H270.59341.01370.56990.050*
H280.53610.91430.61500.050*
O50.79150 (14)0.36136 (12)1.34430 (12)0.0486 (4)
O60.82448 (14)0.11768 (12)1.44375 (10)0.0428 (3)
O70.59040 (15)0.14030 (13)1.44072 (11)0.0470 (3)
O80.87975 (15)0.51359 (12)1.18190 (9)0.0395 (3)
O91.01267 (15)0.71330 (15)0.96294 (9)0.0470 (3)
O100.78858 (15)0.69911 (15)1.00686 (10)0.0531 (4)
O110.5504 (2)0.61085 (19)1.07054 (16)0.0779 (5)
H290.62510.63451.04830.117*
H300.49230.63231.02510.117*
O120.6646 (2)0.3540 (2)1.0680 (2)0.0966 (7)
H320.72760.34141.01740.145*
H310.63660.43571.06380.145*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0335 (9)0.0244 (8)0.0445 (9)0.0133 (7)0.0081 (7)0.0149 (7)
C20.0319 (8)0.0239 (8)0.0450 (9)0.0150 (7)0.0062 (7)0.0103 (7)
C30.0293 (8)0.0173 (7)0.0326 (8)0.0092 (6)0.0061 (6)0.0061 (6)
C40.0389 (9)0.0236 (8)0.0336 (8)0.0138 (7)0.0045 (7)0.0111 (6)
C50.0364 (9)0.0224 (7)0.0350 (8)0.0154 (7)0.0047 (6)0.0081 (6)
C60.0306 (8)0.0178 (7)0.0314 (8)0.0102 (6)0.0047 (6)0.0057 (5)
C70.0255 (8)0.0211 (7)0.0545 (10)0.0069 (6)0.0023 (7)0.0130 (7)
C80.0267 (8)0.0219 (7)0.0497 (10)0.0104 (6)0.0029 (7)0.0106 (7)
C90.0302 (8)0.0220 (7)0.0357 (8)0.0101 (6)0.0024 (6)0.0116 (6)
C100.0297 (8)0.0246 (8)0.0408 (9)0.0138 (6)0.0027 (6)0.0114 (6)
C110.0392 (11)0.0577 (13)0.0400 (10)0.0109 (9)0.0045 (8)0.0007 (9)
C120.0458 (12)0.0672 (15)0.0522 (12)0.0030 (11)0.0010 (9)0.0296 (11)
C130.0444 (11)0.0418 (11)0.0686 (14)0.0053 (9)0.0069 (10)0.0263 (10)
C140.0443 (10)0.0286 (9)0.0486 (10)0.0122 (8)0.0043 (8)0.0045 (7)
C150.0308 (8)0.0263 (8)0.0319 (8)0.0074 (6)0.0047 (6)0.0012 (6)
C160.0287 (8)0.0265 (8)0.0403 (9)0.0062 (7)0.0013 (7)0.0030 (7)
C170.0343 (10)0.0349 (10)0.0610 (12)0.0124 (8)0.0089 (8)0.0087 (8)
C180.0314 (8)0.0273 (8)0.0288 (8)0.0135 (6)0.0028 (6)0.0034 (6)
C190.0364 (9)0.0410 (10)0.0293 (8)0.0108 (8)0.0014 (7)0.0009 (7)
C200.0369 (9)0.0395 (9)0.0280 (8)0.0139 (8)0.0032 (7)0.0032 (7)
C210.0396 (10)0.0587 (13)0.0425 (10)0.0133 (9)0.0081 (8)0.0133 (9)
C220.0323 (9)0.0606 (12)0.0384 (10)0.0138 (9)0.0020 (7)0.0118 (9)
C230.0255 (8)0.0324 (8)0.0383 (9)0.0087 (7)0.0022 (6)0.0087 (7)
C240.0311 (10)0.105 (2)0.0536 (12)0.0215 (11)0.0026 (9)0.0418 (13)
C250.0306 (11)0.114 (2)0.0725 (16)0.0238 (12)0.0010 (10)0.0469 (15)
Co10.02298 (11)0.01463 (10)0.02307 (11)0.00797 (7)0.00107 (7)0.00452 (7)
N10.0293 (7)0.0168 (6)0.0325 (7)0.0099 (5)0.0018 (5)0.0062 (5)
N20.0297 (7)0.0192 (6)0.0301 (6)0.0104 (5)0.0036 (5)0.0069 (5)
N30.0281 (8)0.0530 (10)0.0590 (10)0.0117 (7)0.0062 (7)0.0159 (8)
O10.0253 (5)0.0347 (6)0.0273 (5)0.0056 (5)0.0021 (4)0.0059 (4)
O20.0268 (6)0.0312 (6)0.0288 (5)0.0045 (5)0.0028 (4)0.0059 (4)
O30.0314 (6)0.0227 (5)0.0294 (5)0.0120 (4)0.0016 (4)0.0023 (4)
O40.0363 (6)0.0294 (6)0.0389 (6)0.0161 (5)0.0135 (5)0.0019 (5)
O50.0321 (7)0.0240 (6)0.0768 (10)0.0114 (5)0.0077 (6)0.0033 (6)
O60.0317 (7)0.0300 (6)0.0556 (8)0.0117 (5)0.0058 (6)0.0097 (5)
O70.0441 (8)0.0454 (8)0.0576 (8)0.0292 (6)0.0133 (6)0.0017 (6)
O80.0515 (8)0.0311 (6)0.0329 (6)0.0162 (6)0.0051 (5)0.0045 (5)
O90.0435 (7)0.0623 (9)0.0320 (6)0.0253 (7)0.0014 (5)0.0028 (6)
O100.0380 (7)0.0682 (10)0.0425 (7)0.0222 (7)0.0110 (6)0.0131 (7)
O110.0578 (11)0.0811 (13)0.0958 (14)0.0386 (10)0.0122 (9)0.0131 (11)
O120.0675 (13)0.0655 (13)0.151 (2)0.0176 (10)0.0123 (13)0.0199 (13)
Geometric parameters (Å, º) top
C1—N11.340 (2)C18—O71.248 (2)
C1—C21.381 (2)C19—O81.427 (2)
C1—H10.9300C19—C201.521 (2)
C2—C31.390 (2)C19—H160.9700
C2—H20.9300C19—H150.9700
C3—C41.386 (2)C20—O101.237 (2)
C3—C61.4835 (19)C20—O91.246 (2)
C4—C51.381 (2)C21—N31.328 (3)
C4—H30.9300C21—C221.381 (3)
C5—N11.340 (2)C21—H170.9300
C5—H40.9300C22—C231.383 (3)
C6—C101.388 (2)C22—H180.9300
C6—C71.394 (2)C23—C241.374 (3)
C7—C81.379 (2)C23—C23i1.485 (3)
C7—H50.9300C24—C251.378 (3)
C8—N21.337 (2)C24—H190.9300
C8—H60.9300C25—N31.322 (3)
C9—N21.336 (2)C25—H200.9300
C9—C101.383 (2)Co1—O12.0521 (12)
C9—H70.9300Co1—O22.0990 (13)
C10—H80.9300Co1—O32.0992 (13)
C11—C121.375 (3)Co1—O42.1127 (14)
C11—C161.383 (3)Co1—N2ii2.1728 (12)
C11—H90.9300Co1—N12.1763 (12)
C12—C131.371 (3)N2—Co1iii2.1728 (12)
C12—H100.9300O1—H210.8393
C13—C141.378 (3)O1—H220.8360
C13—H110.9300O2—H230.8489
C14—C151.385 (2)O2—H240.8466
C14—H120.9300O3—H250.8434
C15—O81.362 (2)O3—H260.8448
C15—C161.396 (2)O4—H270.8457
C16—O51.378 (2)O4—H280.8452
C17—O51.431 (2)O11—H290.8442
C17—C181.514 (2)O11—H300.8444
C17—H130.9700O12—H320.8638
C17—H140.9700O12—H310.8653
C18—O61.237 (2)
N1—C1—C2123.66 (15)O8—C19—H15108.3
N1—C1—H1118.2C20—C19—H15108.3
C2—C1—H1118.2H16—C19—H15107.4
C1—C2—C3119.35 (15)O10—C20—O9126.35 (17)
C1—C2—H2120.3O10—C20—C19119.54 (16)
C3—C2—H2120.3O9—C20—C19114.10 (16)
C4—C3—C2117.12 (14)N3—C21—C22123.46 (19)
C4—C3—C6121.72 (14)N3—C21—H17118.3
C2—C3—C6121.16 (14)C22—C21—H17118.3
C5—C4—C3119.91 (15)C21—C22—C23120.39 (18)
C5—C4—H3120.0C21—C22—H18119.8
C3—C4—H3120.0C23—C22—H18119.8
N1—C5—C4123.22 (15)C24—C23—C22115.86 (17)
N1—C5—H4118.4C24—C23—C23i121.7 (2)
C4—C5—H4118.4C22—C23—C23i122.46 (19)
C10—C6—C7117.08 (14)C23—C24—C25119.96 (19)
C10—C6—C3121.33 (14)C23—C24—H19120.0
C7—C6—C3121.59 (14)C25—C24—H19120.0
C8—C7—C6119.49 (15)N3—C25—C24124.4 (2)
C8—C7—H5120.3N3—C25—H20117.8
C6—C7—H5120.3C24—C25—H20117.8
N2—C8—C7123.46 (15)O1—Co1—O289.91 (5)
N2—C8—H6118.3O1—Co1—O3176.97 (4)
C7—C8—H6118.3O2—Co1—O387.23 (5)
N2—C9—C10123.40 (15)O1—Co1—O493.20 (5)
N2—C9—H7118.3O2—Co1—O4175.12 (4)
C10—C9—H7118.3O3—Co1—O489.58 (5)
C9—C10—C6119.54 (15)O1—Co1—N2ii89.22 (6)
C9—C10—H8120.2O2—Co1—N2ii89.93 (6)
C6—C10—H8120.2O3—Co1—N2ii89.76 (5)
C12—C11—C16120.54 (19)O4—Co1—N2ii86.35 (5)
C12—C11—H9119.7O1—Co1—N192.13 (6)
C16—C11—H9119.7O2—Co1—N192.09 (6)
C13—C12—C11119.48 (19)O3—Co1—N188.99 (5)
C13—C12—H10120.3O4—Co1—N191.55 (5)
C11—C12—H10120.3N2ii—Co1—N1177.57 (5)
C12—C13—C14120.9 (2)C1—N1—C5116.74 (13)
C12—C13—H11119.5C1—N1—Co1122.39 (10)
C14—C13—H11119.5C5—N1—Co1120.87 (10)
C13—C14—C15120.15 (19)C9—N2—C8117.02 (13)
C13—C14—H12119.9C9—N2—Co1iii121.83 (10)
C15—C14—H12119.9C8—N2—Co1iii121.13 (10)
O8—C15—C14124.89 (16)C25—N3—C21115.89 (17)
O8—C15—C16116.19 (15)Co1—O1—H21126.4
C14—C15—C16118.90 (17)Co1—O1—H22120.2
O5—C16—C11121.73 (17)H21—O1—H22112.6
O5—C16—C15118.07 (16)Co1—O2—H23120.8
C11—C16—C15119.97 (17)Co1—O2—H24116.7
O5—C17—C18111.84 (15)H23—O2—H24108.8
O5—C17—H13109.2Co1—O3—H25118.4
C18—C17—H13109.2Co1—O3—H26107.9
O5—C17—H14109.2H25—O3—H26110.2
C18—C17—H14109.2Co1—O4—H27112.3
H13—C17—H14107.9Co1—O4—H28118.4
O6—C18—O7125.59 (16)H27—O4—H28109.7
O6—C18—C17118.78 (15)C16—O5—C17116.09 (14)
O7—C18—C17115.63 (15)C15—O8—C19117.75 (14)
O8—C19—C20115.99 (15)H29—O11—H30111.3
O8—C19—H16108.3H32—O12—H31106.3
C20—C19—H16108.3
Symmetry codes: (i) x, y+2, z+2; (ii) x, y+1, z; (iii) x, y1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H21···N30.841.912.748 (2)171.6
O1—H22···O100.841.832.664 (2)176.2
O2—H23···O90.851.782.6240 (18)170.5
O11—H29···O100.841.922.761 (2)174.3
O12—H31···O110.871.912.766 (3)170.8
O2—H24···O5iv0.852.052.871 (2)161.6
O3—H25···O6iv0.841.882.6941 (17)160.4
O3—H26···O6v0.841.862.6862 (19)165.8
O4—H27···O7v0.851.952.792 (2)171.4
O4—H28···O7vi0.851.912.7223 (17)161.2
O11—H30···O12vi0.842.102.928 (3)166.3
O12—H32···O9iv0.862.432.953 (3)119.7
Symmetry codes: (iv) x+2, y+1, z+2; (v) x, y+1, z1; (vi) x+1, y+1, z+2.
 

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