Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The title compound, [Cu2(C2H3O2)4(C11H9N)2] or [Cu2(MeCO2)4(phpy)2] (phpy is 4-phenyl­pyridine), consists of centrosymmetric dimers in which the CuII atoms display a square-pyramidal CuO4N coordination, with four acetate O atoms in the basal plane [Cu—O 1.975 (3)–1.987 (3) Å] and the phpy N atom in the apical position [Cu—N 2.150 (3) Å]. The Cu atoms are 2.654 (1) Å apart and are bridged by four acetate groups. The discrete dimers are extended into a three-dimensional supramolecular array through intermolecular π–π-stacking interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102002962/jz1496sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102002962/jz1496Isup2.hkl
Contains datablock I

CCDC reference: 184467

Computing details top

Data collection: R3m Software (Siemens, 1990); cell refinement: R3m Software; data reduction: R3m Software; 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.

Tetra-µ-acetato-κ2O:O'-bis[(4-phenylpyridine-κN)copper(II)] top
Crystal data top
[Cu2(C2H3O2)4(C11H9N)2]Dx = 1.499 Mg m3
Mr = 673.64Mo Kα radiation, λ = 0.71073 Å
Tetragonal, I41/aCell parameters from 25 reflections
Hall symbol: -I 4adθ = 7–15°
a = 20.598 (4) ŵ = 1.48 mm1
c = 14.070 (8) ÅT = 293 K
V = 5970 (4) Å3Block, green
Z = 80.42 × 0.36 × 0.30 mm
F(000) = 2768
Data collection top
Siemens R3m four-circle
diffractometer
2304 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.034
Graphite monochromatorθmax = 28.0°, θmin = 2.6°
ω scanh = 027
Absorption correction: empirical (using intensity measurements)
ψ scan (North et al., 1968)
k = 027
Tmin = 0.543, Tmax = 0.642l = 118
4097 measured reflections2 standard reflections every 150 reflections
3598 independent reflections intensity decay: none
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)] = 0.053Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.140H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0698P)2 + 0.2836P]
where P = (Fo2 + 2Fc2)/3
3598 reflections(Δ/σ)max < 0.001
192 parametersΔρmax = 0.37 e Å3
0 restraintsΔρmin = 0.35 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
Cu10.56251 (2)0.49404 (2)0.52102 (3)0.03223 (16)
O10.54499 (14)0.55901 (15)0.6210 (2)0.0507 (8)
O20.43997 (14)0.56960 (16)0.5851 (2)0.0515 (8)
O30.53251 (15)0.42441 (15)0.6080 (2)0.0520 (8)
O40.42748 (14)0.43425 (15)0.5714 (2)0.0514 (8)
N10.66473 (14)0.48118 (15)0.5457 (2)0.0309 (7)
C10.69170 (19)0.42261 (19)0.5335 (3)0.0358 (9)
H10.66450.38780.52000.043*
C20.75699 (19)0.41091 (19)0.5398 (3)0.0366 (9)
H20.77290.36920.53030.044*
C30.79982 (18)0.46170 (18)0.5605 (3)0.0305 (8)
C40.77158 (18)0.52318 (18)0.5725 (3)0.0320 (8)
H40.79760.55900.58510.038*
C50.70495 (18)0.53045 (18)0.5656 (3)0.0320 (8)
H50.68730.57150.57520.038*
C60.87103 (18)0.4506 (2)0.5678 (3)0.0378 (9)
C70.9007 (2)0.4006 (2)0.5169 (3)0.0469 (11)
H70.87590.37450.47700.056*
C80.9665 (2)0.3896 (3)0.5250 (4)0.0694 (17)
H80.98570.35610.49070.083*
C91.0041 (2)0.4281 (3)0.5837 (4)0.0691 (17)
H91.04860.42100.58790.083*
C100.9756 (2)0.4767 (3)0.6359 (5)0.0705 (17)
H101.00070.50180.67670.085*
C110.9099 (2)0.4885 (2)0.6280 (4)0.0513 (12)
H110.89120.52190.66290.062*
C120.4898 (2)0.5837 (2)0.6326 (3)0.0372 (9)
C130.4824 (3)0.6341 (2)0.7087 (4)0.0595 (14)
H13A0.43790.63590.72870.071*
H13B0.49520.67560.68420.071*
H13C0.50940.62300.76190.071*
C140.4736 (2)0.4087 (2)0.6153 (3)0.0419 (10)
C150.4580 (3)0.3528 (3)0.6807 (4)0.0701 (17)
H15A0.47790.36000.74150.084*
H15B0.47430.31320.65390.084*
H15C0.41180.34950.68850.084*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0231 (2)0.0362 (3)0.0374 (3)0.00184 (19)0.0010 (2)0.0014 (2)
O10.0379 (17)0.059 (2)0.0552 (19)0.0065 (14)0.0070 (15)0.0185 (17)
O20.0326 (16)0.063 (2)0.059 (2)0.0082 (14)0.0042 (15)0.0235 (17)
O30.0398 (17)0.0535 (19)0.063 (2)0.0018 (14)0.0060 (16)0.0232 (17)
O40.0384 (17)0.057 (2)0.059 (2)0.0037 (14)0.0009 (16)0.0221 (17)
N10.0264 (15)0.0353 (17)0.0310 (18)0.0019 (13)0.0010 (13)0.0005 (14)
C10.035 (2)0.033 (2)0.040 (2)0.0040 (16)0.0019 (18)0.0003 (18)
C20.034 (2)0.0287 (19)0.047 (3)0.0027 (16)0.0044 (19)0.0002 (18)
C30.0267 (18)0.038 (2)0.0268 (19)0.0013 (16)0.0001 (16)0.0003 (17)
C40.0290 (19)0.033 (2)0.034 (2)0.0025 (15)0.0007 (17)0.0033 (17)
C50.0304 (19)0.033 (2)0.032 (2)0.0042 (16)0.0014 (17)0.0029 (17)
C60.0272 (19)0.048 (2)0.038 (2)0.0065 (17)0.0011 (18)0.0022 (19)
C70.032 (2)0.057 (3)0.052 (3)0.010 (2)0.004 (2)0.010 (2)
C80.035 (2)0.091 (4)0.083 (4)0.023 (3)0.001 (3)0.022 (4)
C90.027 (2)0.105 (5)0.075 (4)0.013 (3)0.011 (3)0.010 (3)
C100.034 (2)0.092 (4)0.086 (4)0.001 (3)0.016 (3)0.028 (4)
C110.033 (2)0.062 (3)0.059 (3)0.001 (2)0.001 (2)0.015 (3)
C120.040 (2)0.036 (2)0.036 (2)0.0006 (18)0.0023 (19)0.0018 (18)
C130.066 (3)0.058 (3)0.055 (3)0.010 (3)0.002 (3)0.017 (3)
C140.049 (3)0.036 (2)0.040 (2)0.009 (2)0.001 (2)0.006 (2)
C150.080 (4)0.062 (3)0.068 (4)0.025 (3)0.016 (3)0.034 (3)
Geometric parameters (Å, º) top
Cu1—O11.975 (3)C4—H40.9300
Cu1—O4i1.979 (3)C5—H50.9300
Cu1—O31.984 (3)C6—C71.395 (6)
Cu1—O2i1.987 (3)C6—C111.403 (6)
Cu1—N12.150 (3)C7—C81.378 (6)
Cu1—Cu1i2.6536 (10)C7—H70.9300
O1—C121.257 (5)C8—C91.383 (7)
O2—C121.259 (5)C8—H80.9300
O2—Cu1i1.987 (3)C9—C101.375 (7)
O3—C141.260 (5)C9—H90.9300
O4—C141.250 (5)C10—C111.379 (6)
O4—Cu1i1.979 (3)C10—H100.9300
N1—C51.340 (5)C11—H110.9300
N1—C11.339 (5)C12—C131.498 (6)
C1—C21.369 (5)C13—H13A0.9600
C1—H10.9300C13—H13B0.9600
C2—C31.399 (5)C13—H13C0.9600
C2—H20.9300C14—C151.509 (6)
C3—C41.404 (5)C15—H15A0.9600
C3—C61.488 (5)C15—H15B0.9600
C4—C51.384 (5)C15—H15C0.9600
O1—Cu1—O4i88.94 (15)C7—C6—C11118.0 (4)
O1—Cu1—O389.63 (15)C7—C6—C3120.7 (4)
O4i—Cu1—O3167.80 (12)C11—C6—C3121.3 (4)
O1—Cu1—O2i167.79 (12)C8—C7—C6120.7 (5)
O4i—Cu1—O2i90.08 (15)C8—C7—H7119.7
O3—Cu1—O2i88.76 (15)C6—C7—H7119.7
O1—Cu1—N198.49 (12)C7—C8—C9120.4 (5)
O4i—Cu1—N195.51 (12)C7—C8—H8119.8
O3—Cu1—N196.69 (12)C9—C8—H8119.8
O2i—Cu1—N193.73 (12)C10—C9—C8119.8 (4)
O1—Cu1—Cu1i85.34 (9)C10—C9—H9120.1
O4i—Cu1—Cu1i83.43 (9)C8—C9—H9120.1
O3—Cu1—Cu1i84.38 (9)C9—C10—C11120.3 (5)
O2i—Cu1—Cu1i82.45 (8)C9—C10—H10119.8
N1—Cu1—Cu1i176.02 (9)C11—C10—H10119.8
C12—O1—Cu1122.2 (3)C10—C11—C6120.7 (5)
C12—O2—Cu1i124.9 (3)C10—C11—H11119.6
C14—O3—Cu1122.4 (3)C6—C11—H11119.6
C14—O4—Cu1i124.1 (3)O1—C12—O2125.1 (4)
C5—N1—C1116.9 (3)O1—C12—C13117.7 (4)
C5—N1—Cu1123.1 (3)O2—C12—C13117.2 (4)
C1—N1—Cu1119.8 (3)C12—C13—H13A109.5
N1—C1—C2123.9 (4)C12—C13—H13B109.5
N1—C1—H1118.1H13A—C13—H13B109.5
C2—C1—H1118.1C12—C13—H13C109.5
C1—C2—C3120.1 (4)H13A—C13—H13C109.5
C1—C2—H2120.0H13B—C13—H13C109.5
C3—C2—H2120.0O4—C14—O3125.7 (4)
C2—C3—C4116.0 (3)O4—C14—C15117.4 (4)
C2—C3—C6121.4 (3)O3—C14—C15116.9 (4)
C4—C3—C6122.6 (3)C14—C15—H15A109.5
C5—C4—C3120.0 (3)C14—C15—H15B109.5
C5—C4—H4120.0H15A—C15—H15B109.5
C3—C4—H4120.0C14—C15—H15C109.5
N1—C5—C4123.1 (3)H15A—C15—H15C109.5
N1—C5—H5118.5H15B—C15—H15C109.5
C4—C5—H5118.5
O4i—Cu1—O1—C1282.3 (4)C2—C3—C4—C51.3 (6)
O3—Cu1—O1—C1285.6 (3)C6—C3—C4—C5179.5 (4)
O2i—Cu1—O1—C123.1 (9)C1—N1—C5—C40.9 (6)
N1—Cu1—O1—C12177.7 (3)Cu1—N1—C5—C4173.6 (3)
Cu1i—Cu1—O1—C121.2 (3)C3—C4—C5—N11.4 (6)
O1—Cu1—O3—C1486.1 (4)C2—C3—C6—C728.1 (6)
O4i—Cu1—O3—C142.9 (9)C4—C3—C6—C7151.0 (4)
O2i—Cu1—O3—C1481.8 (4)C2—C3—C6—C11149.9 (4)
N1—Cu1—O3—C14175.4 (4)C4—C3—C6—C1131.0 (6)
Cu1i—Cu1—O3—C140.8 (4)C11—C6—C7—C80.7 (7)
O1—Cu1—N1—C540.5 (3)C3—C6—C7—C8178.8 (5)
O4i—Cu1—N1—C549.2 (3)C6—C7—C8—C90.1 (9)
O3—Cu1—N1—C5131.2 (3)C7—C8—C9—C101.3 (10)
O2i—Cu1—N1—C5139.7 (3)C8—C9—C10—C111.7 (10)
Cu1i—Cu1—N1—C5123.5 (12)C9—C10—C11—C60.9 (9)
O1—Cu1—N1—C1145.1 (3)C7—C6—C11—C100.3 (8)
O4i—Cu1—N1—C1125.2 (3)C3—C6—C11—C10178.4 (5)
O3—Cu1—N1—C154.4 (3)Cu1—O1—C12—O21.7 (6)
O2i—Cu1—N1—C134.8 (3)Cu1—O1—C12—C13178.1 (3)
Cu1i—Cu1—N1—C150.9 (15)Cu1i—O2—C12—O11.2 (6)
C5—N1—C1—C20.4 (6)Cu1i—O2—C12—C13178.7 (3)
Cu1—N1—C1—C2174.4 (3)Cu1i—O4—C14—O30.2 (7)
N1—C1—C2—C30.3 (7)Cu1i—O4—C14—C15177.8 (3)
C1—C2—C3—C40.8 (6)Cu1—O3—C14—O40.8 (7)
C1—C2—C3—C6180.0 (4)Cu1—O3—C14—C15177.2 (3)
Symmetry code: (i) x+1, y+1, z+1.
 

Subscribe to Acta Crystallographica Section C: Structural Chemistry

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