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In the title compound, [Ni(C14H8O5)(C10H8N2)]n, the NiII atom is coordinated by four O atoms of two 4,4′-oxydibenzoate (oba) dianions and two N atoms of a chelate 2,2′-bipyridine ligand to furnish a distorted octahedral coordination environment. The V-shaped oba dianion acts as a bridge between two Ni atoms to form a zigzag chain coordination polymer.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805003405/is6048sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805003405/is6048Isup2.hkl
Contains datablock I

CCDC reference: 269794

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.046
  • wR factor = 0.098
  • Data-to-parameter ratio = 13.1

checkCIF/PLATON results

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Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O3
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 0 ALERT type 3 Indicator that the structure quality may be low 0 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: XP (Bruker, 2002); software used to prepare material for publication: SHELXL97.

catena-Poly[[(2,2'-bipyridine)nickel(II)]-µ-4,4'-oxydibenzoato] top
Crystal data top
[Ni(C14H8O5)(C10H8N2)]F(000) = 968
Mr = 471.10Dx = 1.507 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2159 reflections
a = 12.2223 (18) Åθ = 2.3–22.3°
b = 15.017 (2) ŵ = 0.97 mm1
c = 11.3182 (16) ÅT = 298 K
β = 92.026 (3)°Block, green
V = 2076.1 (5) Å30.19 × 0.16 × 0.14 mm
Z = 4
Data collection top
Bruker APEX area-detector
diffractometer
3792 independent reflections
Radiation source: fine-focus sealed tube3075 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
φ and ω scanθmax = 25.3°, θmin = 1.7°
Absorption correction: integration
(SADABS; Bruker, 2002)
h = 1314
Tmin = 0.837, Tmax = 0.876k = 1318
11073 measured reflectionsl = 1313
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)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.098H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0372P)2 + 0.4839P]
where P = (Fo2 + 2Fc2)/3
3792 reflections(Δ/σ)max < 0.001
289 parametersΔρmax = 0.29 e Å3
0 restraintsΔρmin = 0.24 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
Ni10.61514 (3)0.05986 (2)0.79313 (3)0.04012 (14)
O10.49510 (16)0.11844 (13)0.87899 (17)0.0490 (5)
O20.50408 (16)0.17099 (14)0.69694 (18)0.0537 (5)
O30.04701 (17)0.33318 (16)0.83212 (18)0.0646 (7)
O40.26269 (16)0.37183 (13)0.37038 (18)0.0542 (6)
O50.26358 (19)0.50757 (15)0.4409 (2)0.0677 (7)
N10.51615 (19)0.03797 (15)0.7379 (2)0.0437 (6)
N20.69440 (18)0.02205 (16)0.6498 (2)0.0436 (6)
C10.4289 (3)0.0678 (2)0.7939 (3)0.0579 (9)
H10.41260.04280.86640.069*
C20.3623 (3)0.1342 (2)0.7481 (3)0.0630 (9)
H20.30280.15460.78940.076*
C30.3858 (3)0.1697 (2)0.6396 (3)0.0570 (9)
H30.34150.21400.60610.068*
C40.4750 (2)0.13938 (18)0.5811 (3)0.0474 (8)
H40.49100.16220.50730.057*
C50.5404 (2)0.07461 (18)0.6335 (2)0.0396 (7)
C60.6424 (2)0.04008 (18)0.5833 (2)0.0403 (7)
C70.6831 (3)0.0687 (2)0.4780 (3)0.0554 (8)
H70.64660.11200.43310.067*
C80.7787 (3)0.0320 (3)0.4408 (3)0.0685 (10)
H80.80790.05080.37020.082*
C90.8316 (3)0.0323 (3)0.5073 (3)0.0696 (10)
H90.89590.05820.48230.084*
C100.7871 (3)0.0573 (2)0.6115 (3)0.0577 (9)
H100.82270.10050.65740.069*
C110.4562 (2)0.16481 (19)0.7923 (3)0.0433 (7)
C120.3479 (2)0.20919 (17)0.8047 (2)0.0378 (6)
C130.3142 (2)0.27215 (19)0.7210 (2)0.0437 (7)
H130.35970.28640.65970.052*
C140.2140 (2)0.31377 (18)0.7279 (3)0.0447 (7)
H140.19220.35640.67230.054*
C150.1471 (2)0.2913 (2)0.8182 (3)0.0451 (7)
C160.1788 (2)0.2292 (2)0.9026 (3)0.0513 (8)
H160.13280.21480.96340.062*
C170.2801 (2)0.18895 (19)0.8954 (2)0.0456 (7)
H170.30270.14770.95250.055*
C180.0122 (2)0.3562 (2)0.7287 (3)0.0503 (8)
C190.0481 (3)0.2923 (2)0.6506 (3)0.0612 (9)
H190.02810.23300.66170.073*
C200.1148 (2)0.3169 (2)0.5544 (3)0.0542 (8)
H200.13840.27390.50020.065*
C210.1466 (2)0.4038 (2)0.5380 (3)0.0419 (7)
C220.1068 (3)0.4672 (2)0.6169 (3)0.0567 (8)
H220.12590.52660.60570.068*
C230.0391 (3)0.4435 (2)0.7120 (3)0.0594 (9)
H230.01210.48680.76420.071*
C240.2286 (2)0.4309 (2)0.4434 (3)0.0435 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0342 (2)0.0425 (2)0.0428 (2)0.00222 (16)0.00895 (15)0.00669 (17)
O10.0492 (12)0.0514 (13)0.0456 (12)0.0120 (10)0.0106 (10)0.0020 (10)
O20.0496 (13)0.0640 (14)0.0474 (13)0.0063 (10)0.0004 (10)0.0025 (11)
O30.0532 (14)0.0984 (18)0.0417 (12)0.0317 (12)0.0061 (10)0.0022 (12)
O40.0540 (13)0.0462 (12)0.0607 (14)0.0017 (10)0.0222 (11)0.0033 (11)
O50.0834 (17)0.0537 (15)0.0636 (15)0.0180 (12)0.0307 (13)0.0059 (12)
N10.0401 (14)0.0443 (14)0.0466 (15)0.0023 (11)0.0015 (12)0.0044 (11)
N20.0343 (14)0.0471 (14)0.0490 (15)0.0022 (11)0.0063 (11)0.0008 (12)
C10.055 (2)0.060 (2)0.059 (2)0.0054 (16)0.0078 (17)0.0044 (17)
C20.053 (2)0.057 (2)0.080 (3)0.0101 (16)0.0111 (18)0.0019 (19)
C30.049 (2)0.0444 (19)0.076 (2)0.0050 (15)0.0102 (18)0.0000 (17)
C40.052 (2)0.0415 (17)0.0478 (18)0.0049 (14)0.0131 (15)0.0023 (14)
C50.0401 (16)0.0364 (16)0.0415 (16)0.0078 (12)0.0104 (13)0.0009 (13)
C60.0395 (16)0.0397 (16)0.0407 (16)0.0082 (12)0.0104 (13)0.0008 (13)
C70.056 (2)0.060 (2)0.050 (2)0.0036 (16)0.0029 (16)0.0052 (16)
C80.063 (2)0.086 (3)0.057 (2)0.004 (2)0.0131 (19)0.005 (2)
C90.049 (2)0.088 (3)0.073 (3)0.0057 (19)0.0108 (19)0.001 (2)
C100.0443 (19)0.064 (2)0.065 (2)0.0031 (16)0.0059 (17)0.0002 (17)
C110.0429 (17)0.0393 (17)0.0469 (18)0.0004 (13)0.0096 (15)0.0080 (14)
C120.0401 (16)0.0363 (15)0.0363 (16)0.0015 (12)0.0115 (13)0.0052 (12)
C130.0433 (18)0.0488 (18)0.0383 (16)0.0031 (14)0.0064 (13)0.0015 (13)
C140.0479 (18)0.0444 (17)0.0407 (17)0.0040 (14)0.0125 (14)0.0045 (13)
C150.0406 (17)0.0555 (19)0.0384 (17)0.0070 (14)0.0102 (14)0.0048 (14)
C160.0447 (18)0.069 (2)0.0403 (17)0.0043 (15)0.0007 (14)0.0080 (15)
C170.0492 (18)0.0483 (18)0.0385 (17)0.0030 (14)0.0087 (14)0.0050 (14)
C180.0381 (17)0.071 (2)0.0408 (17)0.0167 (15)0.0050 (13)0.0029 (16)
C190.061 (2)0.057 (2)0.065 (2)0.0120 (17)0.0162 (18)0.0044 (18)
C200.0491 (19)0.050 (2)0.062 (2)0.0022 (15)0.0184 (16)0.0023 (16)
C210.0309 (15)0.0506 (18)0.0439 (17)0.0004 (13)0.0034 (13)0.0047 (14)
C220.059 (2)0.054 (2)0.056 (2)0.0076 (16)0.0126 (17)0.0032 (16)
C230.056 (2)0.067 (2)0.054 (2)0.0085 (16)0.0142 (16)0.0086 (17)
C240.0378 (16)0.0464 (19)0.0460 (18)0.0034 (14)0.0024 (13)0.0046 (15)
Geometric parameters (Å, º) top
Ni1—N11.990 (2)C7—H70.9300
Ni1—N22.000 (2)C8—C91.372 (5)
Ni1—O11.993 (2)C8—H80.9300
Ni1—O22.389 (2)C9—C101.368 (5)
Ni1—O4i1.9885 (19)C9—H90.9300
Ni1—O5i2.418 (2)C10—H100.9300
O1—C111.281 (3)C11—C121.493 (4)
O2—C111.249 (3)C12—C171.376 (4)
O3—C151.389 (3)C12—C131.390 (4)
O3—C181.397 (3)C13—C141.379 (4)
O4—C241.272 (3)C13—H130.9300
O4—Ni1ii1.9885 (19)C14—C151.374 (4)
O5—C241.229 (3)C14—H140.9300
N1—C11.336 (4)C15—C161.380 (4)
N1—C51.347 (4)C16—C171.383 (4)
N2—C101.336 (4)C16—H160.9300
N2—C61.345 (3)C17—H170.9300
C1—C21.377 (4)C18—C231.364 (4)
C1—H10.9300C18—C191.367 (4)
C2—C31.379 (5)C19—C201.387 (4)
C2—H20.9300C19—H190.9300
C3—C41.373 (4)C20—C211.372 (4)
C3—H30.9300C20—H200.9300
C4—C51.380 (4)C21—C221.382 (4)
C4—H40.9300C21—C241.497 (4)
C5—C61.482 (4)C22—C231.381 (4)
C6—C71.375 (4)C22—H220.9300
C7—C81.372 (5)C23—H230.9300
N1—Ni1—N280.93 (10)C10—C9—H9120.9
N1—Ni1—O191.67 (9)C8—C9—H9120.9
N1—Ni1—O292.49 (8)N2—C10—C9122.6 (3)
N2—Ni1—O1155.03 (8)N2—C10—H10118.7
N2—Ni1—O296.46 (8)C9—C10—H10118.7
O1—Ni1—O259.85 (8)O2—C11—O1122.0 (3)
O1—Ni1—O5i106.95 (8)O2—C11—C12119.5 (3)
O2—Ni1—O5i158.81 (7)O1—C11—C12118.5 (3)
O4i—Ni1—N1163.29 (9)C17—C12—C13119.1 (3)
O4i—Ni1—N297.19 (9)C17—C12—C11122.1 (3)
O4i—Ni1—O196.44 (8)C13—C12—C11118.8 (3)
O4i—Ni1—O2104.22 (8)C14—C13—C12120.8 (3)
O5i—Ni1—N1105.02 (9)C14—C13—H13119.6
O5i—Ni1—N298.02 (9)C12—C13—H13119.6
O4i—Ni1—O5i58.63 (8)C15—C14—C13118.9 (3)
C15—O3—C18116.7 (2)C15—C14—H14120.5
C24—O4—Ni1ii98.63 (17)C13—C14—H14120.5
C1—N1—C5118.9 (3)C14—C15—C16121.4 (3)
C1—N1—Ni1125.8 (2)C14—C15—O3121.5 (3)
C5—N1—Ni1115.3 (2)C16—C15—O3117.0 (3)
C10—N2—C6118.8 (3)C15—C16—C17119.0 (3)
C10—N2—Ni1126.3 (2)C15—C16—H16120.5
C6—N2—Ni1114.74 (19)C17—C16—H16120.5
N1—C1—C2122.4 (3)C12—C17—C16120.7 (3)
N1—C1—H1118.8C12—C17—H17119.6
C2—C1—H1118.8C16—C17—H17119.6
C1—C2—C3118.4 (3)C23—C18—C19121.0 (3)
C1—C2—H2120.8C23—C18—O3118.0 (3)
C3—C2—H2120.8C19—C18—O3120.9 (3)
C4—C3—C2119.7 (3)C18—C19—C20119.1 (3)
C4—C3—H3120.2C18—C19—H19120.4
C2—C3—H3120.2C20—C19—H19120.4
C3—C4—C5119.0 (3)C21—C20—C19121.1 (3)
C3—C4—H4120.5C21—C20—H20119.5
C5—C4—H4120.5C19—C20—H20119.5
N1—C5—C4121.5 (3)C20—C21—C22118.4 (3)
N1—C5—C6114.1 (2)C20—C21—C24122.3 (3)
C4—C5—C6124.4 (3)C22—C21—C24119.1 (3)
N2—C6—C7121.6 (3)C23—C22—C21120.9 (3)
N2—C6—C5114.5 (2)C23—C22—H22119.5
C7—C6—C5123.9 (3)C21—C22—H22119.5
C8—C7—C6118.6 (3)C18—C23—C22119.4 (3)
C8—C7—H7120.7C18—C23—H23120.3
C6—C7—H7120.7C22—C23—H23120.3
C9—C8—C7120.2 (3)O5—C24—O4122.2 (3)
C9—C8—H8119.9O5—C24—C21119.6 (3)
C7—C8—H8119.9O4—C24—C21118.1 (3)
C10—C9—C8118.2 (3)
Symmetry codes: (i) x+1, y+1/2, z+1/2; (ii) x1, y+1/2, z1/2.
 

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