Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
In the title compound, [Co(C16H8O8)(C10H8N2)2]n, the CoII atom exhibits a distorted octa­hedral geometry defined by four O atoms from three 4,4′-dicarboxy­biphenyl-3,3′-dicarboxyl­ate ligands and two N atoms from two 4,4′-bipyridine ligands. In the crystal structure, one-dimensional mol­ecular chains are connected by O—H...N hydrogen bonds, forming a two-dimensional supra­molecular network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807058333/hy2098sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807058333/hy2098Isup2.hkl
Contains datablock I

CCDC reference: 672701

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.041
  • wR factor = 0.123
  • Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 3000 Deg. PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.23
Alert level G PLAT794_ALERT_5_G Check Predicted Bond Valency for Co1 (3) 1.76
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 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 1 ALERT type 5 Informative message, check

Comment top

Metal–carboxylate coordination polymers have emerged as an important family in the past few years (Wang et al., 2005; Hao et al., 2005). We report here the structure of the title compound. The asymmetric unit contains one CoII atom, one 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate (bpdc) ligand and two 4,4'-bipyridine (4,4'-bpy) ligands. The CoII atom has a distorted octahedral coordination geometry, defined by four O atoms from the bpdc ligands and two N atoms from the 4,4'-bpy ligands. The adjacent CoII atoms are linked by the bpdc ligands to generate a one-dimensional chain running along the crystallographic c axis. In the crystal structure, the adjacent one-dimensional chains are further connected with O—H···N hydrogen bonds, forming a two-dimensional supramolecular network.

Related literature top

For general background, see: Wang et al. (2005). For related structures, see: Hao et al. (2005).

Experimental top

The title compound was prepared by a hydrothermal method. A mixture of Co(NO3)2.6H2O (0.115 g, 0.5 mmol), biphenyl-3,3',4,4'-tetracarboxylic acid (0.165 g, 0.5 mmol), 4,4'-bipyridine (0.125 g, 0.8 mmol) and water (10 ml) was stirred for 20 min and then transferred to a 23 ml Teflon-lined reactor. The reactor was kept at 433 K for 120 h under autogenous pressure. Single crystals of the title compound were obtained after cooling to room temperature.

Refinement top

H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93Å and O—H = 0.82 Å, and with Uiso(H) = 1.2Ueq(C) and Uiso(H) = 1.5Ueq(O).

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Siemens, 1990); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) -x, -y, -z + 1; (ii) x, y, z - 1.]
[Figure 2] Fig. 2. The one-dimensional chain in the title compound. H atoms have been omitted for clarity.
catena-Poly[[bis(4,4'-bipyridine-κN)cobalt(II)]- µ3-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato- κ4O3,O3':O3'':O3''')] top
Crystal data top
[Co(C16H8O8)(C10H8N2)2]Z = 2
Mr = 699.52F(000) = 718
Triclinic, P1Dx = 1.561 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71069 Å
a = 11.045 (2) ÅCell parameters from 14754 reflections
b = 11.361 (2) Åθ = 3.2–27.5°
c = 12.352 (3) ŵ = 0.64 mm1
α = 103.83 (3)°T = 298 K
β = 93.54 (3)°Block, purple
γ = 96.84 (3)°0.24 × 0.22 × 0.17 mm
V = 1487.8 (6) Å3
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
6747 independent reflections
Radiation source: fine-focus sealed tube5292 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.025
ϕ and ω scansθmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1414
Tmin = 0.856, Tmax = 0.898k = 1414
14754 measured reflectionsl = 1616
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)] = 0.041Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.123H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0823P)2 + 0.1308P]
where P = (Fo2 + 2Fc2)/3
6747 reflections(Δ/σ)max = 0.003
442 parametersΔρmax = 0.42 e Å3
0 restraintsΔρmin = 0.32 e Å3
Crystal data top
[Co(C16H8O8)(C10H8N2)2]γ = 96.84 (3)°
Mr = 699.52V = 1487.8 (6) Å3
Triclinic, P1Z = 2
a = 11.045 (2) ÅMo Kα radiation
b = 11.361 (2) ŵ = 0.64 mm1
c = 12.352 (3) ÅT = 298 K
α = 103.83 (3)°0.24 × 0.22 × 0.17 mm
β = 93.54 (3)°
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
6747 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
5292 reflections with I > 2σ(I)
Tmin = 0.856, Tmax = 0.898Rint = 0.025
14754 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0410 restraints
wR(F2) = 0.123H-atom parameters constrained
S = 1.01Δρmax = 0.42 e Å3
6747 reflectionsΔρmin = 0.32 e Å3
442 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.15335 (3)0.02558 (3)0.13743 (2)0.02485 (10)
C10.2712 (2)0.4174 (2)0.4984 (2)0.0394 (6)
H1A0.27460.40110.57550.047*
C20.1971 (2)0.3366 (2)0.4554 (2)0.0358 (5)
H2A0.15170.26750.50330.043*
C30.1905 (2)0.3584 (2)0.34135 (19)0.0305 (5)
C40.2601 (3)0.4642 (2)0.2740 (2)0.0408 (6)
H4A0.25810.48320.19670.049*
C50.3324 (3)0.5404 (2)0.3241 (2)0.0445 (6)
H5A0.37890.61040.27860.053*
C60.0178 (2)0.0684 (2)0.2993 (2)0.0326 (5)
H6A0.00000.01320.33870.039*
C70.0854 (2)0.1485 (2)0.3482 (2)0.0343 (5)
H7A0.11140.12060.41890.041*
C80.1146 (2)0.2714 (2)0.29093 (19)0.0300 (5)
C90.0714 (3)0.3060 (2)0.1874 (2)0.0411 (6)
H9A0.08750.38720.14640.049*
C100.0039 (2)0.2195 (2)0.1442 (2)0.0379 (6)
H10A0.02360.24500.07380.046*
C110.4115 (2)0.1192 (3)0.0882 (2)0.0438 (6)
H11A0.43080.05910.12340.053*
C120.5048 (2)0.1784 (3)0.0424 (2)0.0445 (6)
H12A0.58380.15830.04710.053*
C130.4781 (2)0.2676 (2)0.0102 (2)0.0361 (5)
C140.3604 (3)0.2964 (3)0.0087 (3)0.0567 (9)
H14A0.33960.35880.04010.068*
C150.2728 (3)0.2327 (3)0.0393 (3)0.0510 (7)
H15A0.19410.25400.03930.061*
C160.7799 (3)0.4056 (3)0.0840 (3)0.0499 (7)
H16A0.86230.41850.05760.060*
C170.6967 (3)0.3472 (3)0.0289 (3)0.0459 (6)
H17A0.72300.31940.03230.055*
C180.5733 (2)0.3304 (2)0.0655 (2)0.0366 (5)
C190.5395 (3)0.3744 (3)0.1559 (2)0.0524 (8)
H19A0.45740.36640.18180.063*
C200.6290 (3)0.4308 (3)0.2083 (3)0.0584 (9)
H20A0.60510.46000.26940.070*
C210.22465 (19)0.14137 (19)0.63711 (17)0.0251 (4)
C220.20320 (19)0.10850 (19)0.74957 (17)0.0252 (4)
H22A0.24330.03510.79510.030*
C230.12327 (19)0.18306 (19)0.79495 (17)0.0240 (4)
C240.0677 (2)0.29749 (19)0.72797 (17)0.0260 (4)
C250.0908 (2)0.3316 (2)0.61661 (19)0.0314 (5)
H25A0.05460.40700.57190.038*
C260.1675 (2)0.2542 (2)0.57121 (18)0.0298 (5)
H26A0.18100.27770.49600.036*
C270.29693 (19)0.05148 (19)0.58818 (17)0.0255 (4)
C280.3919 (2)0.0341 (2)0.65183 (18)0.0303 (5)
H28A0.41560.03100.72460.036*
C290.4510 (2)0.1239 (2)0.60680 (19)0.0304 (5)
H29A0.51500.17950.64940.036*
C300.41605 (19)0.13164 (19)0.49935 (18)0.0261 (4)
C310.32276 (19)0.04471 (19)0.43401 (17)0.0266 (4)
C320.26553 (19)0.04591 (19)0.47919 (18)0.0269 (4)
H32A0.20460.10430.43520.032*
C330.08564 (19)0.13041 (17)0.90973 (17)0.0242 (4)
C340.0092 (2)0.3814 (2)0.78063 (19)0.0312 (5)
C350.4801 (2)0.2274 (2)0.4504 (2)0.0319 (5)
C360.2723 (2)0.0462 (2)0.31868 (17)0.0281 (5)
N10.3384 (2)0.51818 (19)0.43373 (19)0.0401 (5)
N20.02360 (18)0.10141 (17)0.19870 (16)0.0293 (4)
N30.29647 (18)0.14250 (18)0.08518 (16)0.0330 (4)
N40.7468 (2)0.4445 (2)0.1744 (2)0.0491 (6)
O10.16807 (14)0.09749 (14)0.98893 (12)0.0299 (3)
O20.02537 (14)0.11935 (13)0.91601 (13)0.0291 (3)
O30.01081 (18)0.38419 (15)0.87748 (14)0.0411 (4)
O40.09660 (19)0.45426 (19)0.71183 (16)0.0562 (6)
H10.13280.50050.74470.084*
O50.54844 (18)0.31614 (16)0.52605 (15)0.0448 (5)
H20.59740.35350.49470.067*
O60.47072 (19)0.22331 (17)0.35211 (15)0.0484 (5)
O70.29338 (16)0.03486 (15)0.23673 (13)0.0345 (4)
O80.19877 (15)0.12079 (14)0.30946 (13)0.0327 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.02672 (17)0.02842 (16)0.02075 (16)0.00082 (11)0.00528 (11)0.01020 (11)
C10.0426 (14)0.0436 (13)0.0367 (13)0.0014 (11)0.0108 (11)0.0192 (11)
C20.0367 (13)0.0370 (12)0.0343 (13)0.0013 (10)0.0073 (10)0.0124 (10)
C30.0327 (11)0.0293 (10)0.0341 (12)0.0032 (9)0.0097 (9)0.0157 (9)
C40.0504 (15)0.0369 (12)0.0357 (13)0.0034 (11)0.0053 (11)0.0141 (10)
C50.0497 (15)0.0352 (12)0.0474 (15)0.0095 (12)0.0016 (12)0.0163 (11)
C60.0327 (12)0.0288 (10)0.0372 (13)0.0004 (9)0.0109 (10)0.0101 (9)
C70.0380 (13)0.0335 (11)0.0332 (12)0.0026 (10)0.0136 (10)0.0106 (9)
C80.0313 (11)0.0304 (10)0.0330 (12)0.0016 (9)0.0092 (9)0.0168 (9)
C90.0610 (17)0.0260 (11)0.0366 (13)0.0023 (11)0.0161 (12)0.0098 (9)
C100.0507 (15)0.0342 (12)0.0304 (12)0.0006 (11)0.0156 (11)0.0111 (9)
C110.0404 (14)0.0503 (15)0.0523 (16)0.0076 (12)0.0156 (12)0.0316 (13)
C120.0333 (13)0.0543 (15)0.0556 (17)0.0072 (11)0.0162 (12)0.0289 (13)
C130.0330 (12)0.0383 (12)0.0387 (13)0.0034 (10)0.0114 (10)0.0151 (10)
C140.0394 (15)0.0617 (18)0.089 (2)0.0074 (14)0.0188 (15)0.0543 (18)
C150.0317 (13)0.0573 (17)0.078 (2)0.0061 (12)0.0166 (13)0.0419 (16)
C160.0380 (14)0.0544 (16)0.0610 (18)0.0032 (13)0.0138 (13)0.0238 (14)
C170.0388 (14)0.0515 (15)0.0553 (17)0.0042 (12)0.0144 (12)0.0267 (13)
C180.0359 (13)0.0353 (12)0.0392 (13)0.0051 (10)0.0104 (10)0.0137 (10)
C190.0391 (14)0.0689 (18)0.0499 (17)0.0149 (14)0.0027 (12)0.0274 (15)
C200.0585 (19)0.075 (2)0.0430 (16)0.0173 (16)0.0041 (14)0.0294 (15)
C210.0247 (10)0.0301 (10)0.0243 (10)0.0007 (8)0.0081 (8)0.0141 (8)
C220.0261 (10)0.0278 (10)0.0218 (10)0.0016 (8)0.0055 (8)0.0081 (8)
C230.0238 (10)0.0301 (10)0.0206 (10)0.0009 (8)0.0053 (8)0.0116 (8)
C240.0272 (10)0.0268 (10)0.0247 (10)0.0029 (8)0.0059 (8)0.0103 (8)
C250.0359 (12)0.0273 (10)0.0279 (11)0.0058 (9)0.0064 (9)0.0050 (8)
C260.0348 (12)0.0334 (11)0.0214 (10)0.0007 (9)0.0085 (9)0.0082 (8)
C270.0253 (10)0.0299 (10)0.0240 (10)0.0001 (8)0.0099 (8)0.0119 (8)
C280.0306 (11)0.0393 (12)0.0224 (10)0.0016 (9)0.0043 (9)0.0133 (9)
C290.0291 (11)0.0323 (11)0.0286 (11)0.0067 (9)0.0027 (9)0.0109 (9)
C300.0251 (10)0.0289 (10)0.0263 (10)0.0013 (8)0.0069 (8)0.0119 (8)
C310.0261 (10)0.0312 (10)0.0243 (10)0.0011 (9)0.0076 (8)0.0118 (8)
C320.0251 (10)0.0318 (10)0.0247 (10)0.0035 (8)0.0056 (8)0.0115 (8)
C330.0298 (11)0.0209 (9)0.0249 (10)0.0001 (8)0.0100 (8)0.0109 (8)
C340.0342 (12)0.0288 (10)0.0312 (12)0.0026 (9)0.0093 (9)0.0103 (9)
C350.0285 (11)0.0344 (11)0.0349 (12)0.0033 (9)0.0074 (9)0.0155 (9)
C360.0278 (11)0.0338 (11)0.0232 (10)0.0081 (9)0.0044 (8)0.0136 (9)
N10.0394 (12)0.0381 (11)0.0468 (13)0.0028 (9)0.0088 (9)0.0215 (9)
N20.0314 (10)0.0299 (9)0.0291 (10)0.0013 (8)0.0056 (8)0.0130 (7)
N30.0318 (10)0.0367 (10)0.0327 (10)0.0005 (8)0.0078 (8)0.0143 (8)
N40.0441 (13)0.0528 (13)0.0494 (14)0.0132 (11)0.0161 (11)0.0174 (11)
O10.0298 (8)0.0388 (8)0.0208 (7)0.0028 (6)0.0047 (6)0.0070 (6)
O20.0276 (8)0.0310 (8)0.0322 (8)0.0037 (6)0.0097 (6)0.0134 (6)
O30.0549 (11)0.0380 (9)0.0319 (9)0.0068 (8)0.0074 (8)0.0173 (7)
O40.0526 (12)0.0673 (13)0.0427 (11)0.0335 (10)0.0005 (9)0.0235 (10)
O50.0527 (11)0.0393 (9)0.0391 (10)0.0201 (8)0.0045 (8)0.0162 (8)
O60.0568 (12)0.0530 (11)0.0345 (10)0.0184 (9)0.0026 (8)0.0222 (8)
O70.0388 (9)0.0409 (9)0.0245 (8)0.0020 (7)0.0055 (7)0.0107 (7)
O80.0385 (9)0.0331 (8)0.0275 (8)0.0018 (7)0.0024 (7)0.0108 (6)
Geometric parameters (Å, º) top
Co1—O2i2.0369 (16)C17—C181.385 (4)
Co1—O1ii2.0519 (17)C17—H17A0.9300
Co1—O82.1394 (18)C18—C191.376 (4)
Co1—N32.1716 (19)C19—C201.391 (4)
Co1—O72.1885 (18)C19—H19A0.9300
Co1—N22.2072 (19)C20—N41.321 (4)
Co1—C362.471 (2)C20—H20A0.9300
C1—N11.337 (3)C21—C221.392 (3)
C1—C21.378 (3)C21—C261.396 (3)
C1—H1A0.9300C21—C271.485 (3)
C2—C31.380 (3)C22—C231.386 (3)
C2—H2A0.9300C22—H22A0.9300
C3—C41.397 (3)C23—C241.408 (3)
C3—C81.494 (3)C23—C331.506 (3)
C4—C51.387 (3)C24—C251.385 (3)
C4—H4A0.9300C24—C341.492 (3)
C5—N11.324 (3)C25—C261.386 (3)
C5—H5A0.9300C25—H25A0.9300
C6—N21.335 (3)C26—H26A0.9300
C6—C71.381 (3)C27—C321.387 (3)
C6—H6A0.9300C27—C281.397 (3)
C7—C81.395 (3)C28—C291.391 (3)
C7—H7A0.9300C28—H28A0.9300
C8—C91.377 (3)C29—C301.385 (3)
C9—C101.390 (3)C29—H29A0.9300
C9—H9A0.9300C30—C311.401 (3)
C10—N21.339 (3)C30—C351.494 (3)
C10—H10A0.9300C31—C321.391 (3)
C11—N31.329 (3)C31—C361.502 (3)
C11—C121.386 (3)C32—H32A0.9300
C11—H11A0.9300C33—O11.249 (3)
C12—C131.378 (3)C33—O21.253 (3)
C12—H12A0.9300C34—O31.212 (3)
C13—C141.378 (4)C34—O41.308 (3)
C13—C181.492 (3)C35—O61.201 (3)
C14—C151.386 (4)C35—O51.319 (3)
C14—H14A0.9300C36—O71.250 (3)
C15—N31.328 (3)C36—O81.261 (3)
C15—H15A0.9300O1—Co1iii2.0519 (17)
C16—N41.342 (4)O2—Co1i2.0369 (16)
C16—C171.378 (3)O4—H10.8200
C16—H16A0.9300O5—H20.8200
O2i—Co1—O1ii99.25 (7)C19—C18—C13119.9 (2)
O2i—Co1—O8103.34 (7)C17—C18—C13122.2 (2)
O1ii—Co1—O8157.16 (7)C18—C19—C20119.6 (3)
O2i—Co1—N389.85 (7)C18—C19—H19A120.2
O1ii—Co1—N385.19 (7)C20—C19—H19A120.2
O8—Co1—N391.48 (7)N4—C20—C19122.4 (3)
O2i—Co1—O7164.24 (6)N4—C20—H20A118.8
O1ii—Co1—O796.34 (7)C19—C20—H20A118.8
O8—Co1—O760.97 (7)C22—C21—C26118.49 (18)
N3—Co1—O789.13 (7)C22—C21—C27119.44 (19)
O2i—Co1—N296.19 (7)C26—C21—C27121.79 (19)
O1ii—Co1—N294.62 (7)C23—C22—C21121.28 (19)
O8—Co1—N286.34 (7)C23—C22—H22A119.4
N3—Co1—N2173.91 (7)C21—C22—H22A119.4
O7—Co1—N284.84 (7)C22—C23—C24119.57 (19)
O2i—Co1—C36134.01 (8)C22—C23—C33117.84 (18)
O1ii—Co1—C36126.68 (8)C24—C23—C33122.03 (17)
O8—Co1—C3630.67 (7)C25—C24—C23119.23 (18)
N3—Co1—C3691.59 (7)C25—C24—C34121.77 (19)
O7—Co1—C3630.34 (7)C23—C24—C34118.92 (19)
N2—Co1—C3683.63 (7)C24—C25—C26120.6 (2)
N1—C1—C2122.7 (2)C24—C25—H25A119.7
N1—C1—H1A118.6C26—C25—H25A119.7
C2—C1—H1A118.6C25—C26—C21120.8 (2)
C3—C2—C1119.9 (2)C25—C26—H26A119.6
C3—C2—H2A120.1C21—C26—H26A119.6
C1—C2—H2A120.1C32—C27—C28118.43 (18)
C2—C3—C4117.3 (2)C32—C27—C21119.95 (19)
C2—C3—C8121.7 (2)C28—C27—C21121.48 (18)
C4—C3—C8121.0 (2)C29—C28—C27120.23 (19)
C5—C4—C3119.0 (2)C29—C28—H28A119.9
C5—C4—H4A120.5C27—C28—H28A119.9
C3—C4—H4A120.5C30—C29—C28121.0 (2)
N1—C5—C4123.1 (2)C30—C29—H29A119.5
N1—C5—H5A118.5C28—C29—H29A119.5
C4—C5—H5A118.5C29—C30—C31119.22 (18)
N2—C6—C7123.8 (2)C29—C30—C35121.1 (2)
N2—C6—H6A118.1C31—C30—C35119.62 (19)
C7—C6—H6A118.1C32—C31—C30119.32 (19)
C6—C7—C8119.6 (2)C32—C31—C36116.05 (18)
C6—C7—H7A120.2C30—C31—C36124.49 (17)
C8—C7—H7A120.2C27—C32—C31121.76 (19)
C9—C8—C7116.82 (19)C27—C32—H32A119.1
C9—C8—C3122.9 (2)C31—C32—H32A119.1
C7—C8—C3120.2 (2)O1—C33—O2126.0 (2)
C8—C9—C10119.9 (2)O1—C33—C23117.37 (19)
C8—C9—H9A120.0O2—C33—C23116.58 (19)
C10—C9—H9A120.0O3—C34—O4123.4 (2)
N2—C10—C9123.3 (2)O3—C34—C24122.6 (2)
N2—C10—H10A118.3O4—C34—C24113.95 (19)
C9—C10—H10A118.3O6—C35—O5123.6 (2)
N3—C11—C12124.4 (2)O6—C35—C30123.3 (2)
N3—C11—H11A117.8O5—C35—C30113.08 (19)
C12—C11—H11A117.8O7—C36—O8122.0 (2)
C13—C12—C11118.7 (2)O7—C36—C31119.0 (2)
C13—C12—H12A120.6O8—C36—C31118.4 (2)
C11—C12—H12A120.6O7—C36—Co162.22 (12)
C14—C13—C12117.2 (2)O8—C36—Co159.96 (11)
C14—C13—C18121.8 (2)C31—C36—Co1168.81 (14)
C12—C13—C18121.1 (2)C5—N1—C1117.9 (2)
C13—C14—C15120.2 (2)C6—N2—C10116.49 (19)
C13—C14—H14A119.9C6—N2—Co1121.34 (15)
C15—C14—H14A119.9C10—N2—Co1121.53 (16)
N3—C15—C14122.8 (3)C15—N3—C11116.5 (2)
N3—C15—H15A118.6C15—N3—Co1122.41 (17)
C14—C15—H15A118.6C11—N3—Co1120.75 (16)
N4—C16—C17122.6 (3)C20—N4—C16118.2 (2)
N4—C16—H16A118.7C33—O1—Co1iii124.20 (15)
C17—C16—H16A118.7C33—O2—Co1i139.83 (13)
C16—C17—C18119.3 (3)C34—O4—H1109.2
C16—C17—H17A120.4C35—O5—H2109.2
C18—C17—H17A120.4C36—O7—Co187.44 (14)
C19—C18—C17117.8 (2)C36—O8—Co189.37 (13)
Symmetry codes: (i) x, y, z+1; (ii) x, y, z1; (iii) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4—H1···N4iv0.821.852.624 (3)157
O5—H2···N1v0.821.882.655 (2)157
Symmetry codes: (iv) x1, y1, z+1; (v) x+1, y+1, z.

Experimental details

Crystal data
Chemical formula[Co(C16H8O8)(C10H8N2)2]
Mr699.52
Crystal system, space groupTriclinic, P1
Temperature (K)298
a, b, c (Å)11.045 (2), 11.361 (2), 12.352 (3)
α, β, γ (°)103.83 (3), 93.54 (3), 96.84 (3)
V3)1487.8 (6)
Z2
Radiation typeMo Kα
µ (mm1)0.64
Crystal size (mm)0.24 × 0.22 × 0.17
Data collection
DiffractometerBruker SMART APEX CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.856, 0.898
No. of measured, independent and
observed [I > 2σ(I)] reflections
14754, 6747, 5292
Rint0.025
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.041, 0.123, 1.01
No. of reflections6747
No. of parameters442
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.42, 0.32

Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1999), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL-Plus (Siemens, 1990).

Selected geometric parameters (Å, º) top
Co1—O2i2.0369 (16)Co1—N32.1716 (19)
Co1—O1ii2.0519 (17)Co1—O72.1885 (18)
Co1—O82.1394 (18)Co1—N22.2072 (19)
O2i—Co1—O1ii99.25 (7)O8—Co1—O760.97 (7)
O2i—Co1—O8103.34 (7)N3—Co1—O789.13 (7)
O1ii—Co1—O8157.16 (7)O2i—Co1—N296.19 (7)
O2i—Co1—N389.85 (7)O1ii—Co1—N294.62 (7)
O1ii—Co1—N385.19 (7)O8—Co1—N286.34 (7)
O8—Co1—N391.48 (7)N3—Co1—N2173.91 (7)
O2i—Co1—O7164.24 (6)O7—Co1—N284.84 (7)
O1ii—Co1—O796.34 (7)
Symmetry codes: (i) x, y, z+1; (ii) x, y, z1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4—H1···N4iii0.821.852.624 (3)157
O5—H2···N1iv0.821.882.655 (2)157
Symmetry codes: (iii) x1, y1, z+1; (iv) x+1, y+1, z.
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds