Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807029649/er2036sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807029649/er2036Isup2.hkl |
CCDC reference: 654811
Key indicators
- Single-crystal X-ray study
- T = 292 K
- Mean (C-C) = 0.004 Å
- R factor = 0.047
- wR factor = 0.108
- Data-to-parameter ratio = 14.7
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cu1 - O3 .. 10.23 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cu1 - O4 .. 10.12 su
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10
Alert level G PLAT794_ALERT_5_G Check Predicted Bond Valency for Cu1 (2) 2.14
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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
The ligand 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione was synthesized from reported literature(Sloopa et al., 2002). The coordination compounds were prepared according to the following procedure: The ligand (0.52 g, 2.0 mmol) and pyridine (0.16 g, 2.0 mmol) in 20 ml hot acetone was added slowly to the CuCl2·2H2O (0.17 g, 1.0 mmol) solution of 10 ml water. The mixture was stirred for 3 h. After filtration, the green solution was allowed to stand at room temperature. Green block-shaped crystals suitable for X-ray analysis were obtained after several days in 55% yield.
All the H atoms were placed at their idealized positions and constrained to ride on their parent atoms, with C—H distances in the range 0.93–0.97 Å, with Uiso(H) = 1.2Ueq(C).
1,3-Diketones are invaluable chelating ligand for various lanthanide and transition metals in material chemistry (Shavaleev et al., 2003). In this paper, we report the crystallography structure of the title compound, Cu(C10H5O4F3N)2(C5H5N)2. In the title molecular structure (I), CuII is coordinated by two 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione oxygen atoms and two nitrogen atoms of pyridines, forming a distorted octahedron coordination geometry (Fig. 1).
For related literature, see: Shavaleev et al. (2003); Sloopa et al. (2002).
Data collection: SMART (Bruker, 2001); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2001b); software used to prepare material for publication: SHELXTL.
Fig. 1. View of (I), showing the atom-labeling scheme. Displacement ellipsoids are drawn at the 30% probability level. |
[Cu(C10H5F3NO4)2(C5H5N)2] | F(000) = 750 |
Mr = 742.04 | Dx = 1.643 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P2ybc | Cell parameters from 2698 reflections |
a = 12.5939 (9) Å | θ = 2.8–22.9° |
b = 8.7423 (6) Å | µ = 0.83 mm−1 |
c = 14.1918 (10) Å | T = 292 K |
β = 106.245 (1)° | Block, green |
V = 1500.13 (18) Å3 | 0.20 × 0.10 × 0.10 mm |
Z = 2 |
Bruker APEX CCD area-detector diffractometer | 3278 independent reflections |
Radiation source: fine-focus sealed tube | 2298 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.080 |
φ and ω scans | θmax = 27.0°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2001a) | h = −15→16 |
Tmin = 0.852, Tmax = 0.922 | k = −11→11 |
12289 measured reflections | l = −16→18 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.108 | H-atom parameters constrained |
S = 0.97 | w = 1/[σ2(Fo2) + (0.0497P)2] where P = (Fo2 + 2Fc2)/3 |
3278 reflections | (Δ/σ)max < 0.001 |
223 parameters | Δρmax = 0.38 e Å−3 |
0 restraints | Δρmin = −0.61 e Å−3 |
[Cu(C10H5F3NO4)2(C5H5N)2] | V = 1500.13 (18) Å3 |
Mr = 742.04 | Z = 2 |
Monoclinic, P21/c | Mo Kα radiation |
a = 12.5939 (9) Å | µ = 0.83 mm−1 |
b = 8.7423 (6) Å | T = 292 K |
c = 14.1918 (10) Å | 0.20 × 0.10 × 0.10 mm |
β = 106.245 (1)° |
Bruker APEX CCD area-detector diffractometer | 3278 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2001a) | 2298 reflections with I > 2σ(I) |
Tmin = 0.852, Tmax = 0.922 | Rint = 0.080 |
12289 measured reflections |
R[F2 > 2σ(F2)] = 0.047 | 0 restraints |
wR(F2) = 0.108 | H-atom parameters constrained |
S = 0.97 | Δρmax = 0.38 e Å−3 |
3278 reflections | Δρmin = −0.61 e Å−3 |
223 parameters |
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. |
x | y | z | Uiso*/Ueq | ||
Cu1 | 0.5000 | 1.0000 | 0.0000 | 0.03413 (15) | |
C11 | 0.5305 (2) | 0.7430 (3) | 0.13701 (19) | 0.0436 (6) | |
H11 | 0.4932 | 0.8076 | 0.1690 | 0.052* | |
C14 | 0.6375 (2) | 0.5529 (3) | 0.0444 (2) | 0.0535 (8) | |
H14 | 0.6738 | 0.4893 | 0.0110 | 0.064* | |
C12 | 0.5706 (3) | 0.6059 (4) | 0.1804 (2) | 0.0565 (8) | |
H12 | 0.5608 | 0.5784 | 0.2407 | 0.068* | |
C13 | 0.6253 (3) | 0.5107 (3) | 0.1328 (3) | 0.0597 (8) | |
H13 | 0.6538 | 0.4179 | 0.1609 | 0.072* | |
C15 | 0.5954 (2) | 0.6912 (3) | 0.0050 (2) | 0.0426 (6) | |
H15 | 0.6035 | 0.7195 | −0.0558 | 0.051* | |
C9 | 0.3050 (2) | 0.9483 (3) | −0.16549 (19) | 0.0391 (6) | |
C10 | 0.2652 (3) | 0.9380 (3) | −0.2776 (2) | 0.0497 (7) | |
C7 | 0.2538 (2) | 1.0169 (3) | −0.0145 (2) | 0.0391 (6) | |
C4 | 0.1679 (2) | 1.0904 (3) | 0.02552 (18) | 0.0367 (6) | |
C5 | 0.0934 (2) | 1.1942 (3) | −0.0283 (2) | 0.0511 (8) | |
H5 | 0.0922 | 1.2145 | −0.0929 | 0.061* | |
C6 | 0.0200 (2) | 1.2689 (4) | 0.0128 (2) | 0.0546 (8) | |
H6 | −0.0301 | 1.3396 | −0.0236 | 0.065* | |
C1 | 0.0226 (2) | 1.2369 (3) | 0.10764 (19) | 0.0428 (7) | |
C2 | 0.0945 (2) | 1.1325 (3) | 0.1627 (2) | 0.0503 (7) | |
H2 | 0.0946 | 1.1116 | 0.2270 | 0.060* | |
C3 | 0.1663 (2) | 1.0594 (3) | 0.1210 (2) | 0.0469 (7) | |
H3 | 0.2151 | 0.9874 | 0.1576 | 0.056* | |
C8 | 0.2297 (2) | 0.9966 (3) | −0.1179 (2) | 0.0432 (6) | |
H8 | 0.1582 | 1.0175 | −0.1560 | 0.052* | |
F1 | 0.31560 (18) | 1.0415 (2) | −0.31809 (13) | 0.0820 (6) | |
F2 | 0.15767 (15) | 0.9595 (2) | −0.31617 (13) | 0.0709 (5) | |
F3 | 0.28914 (16) | 0.8027 (2) | −0.30905 (13) | 0.0776 (6) | |
N2 | 0.54337 (16) | 0.7864 (2) | 0.05053 (15) | 0.0355 (5) | |
N1 | −0.0522 (2) | 1.3223 (3) | 0.1521 (2) | 0.0583 (7) | |
O4 | 0.40646 (14) | 0.9163 (2) | −0.13156 (13) | 0.0436 (5) | |
O3 | 0.34342 (15) | 0.9824 (2) | 0.04590 (14) | 0.0462 (5) | |
O1 | −0.0459 (2) | 1.2980 (3) | 0.23779 (17) | 0.0787 (7) | |
O2 | −0.1149 (2) | 1.4130 (4) | 0.1026 (2) | 0.1013 (10) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0334 (3) | 0.0330 (2) | 0.0349 (3) | 0.00422 (19) | 0.0077 (2) | 0.00201 (19) |
C11 | 0.0448 (16) | 0.0424 (15) | 0.0437 (16) | 0.0004 (12) | 0.0124 (14) | 0.0023 (13) |
C14 | 0.0515 (19) | 0.0434 (16) | 0.060 (2) | 0.0106 (14) | 0.0055 (16) | −0.0050 (15) |
C12 | 0.065 (2) | 0.0530 (19) | 0.0460 (18) | −0.0076 (16) | 0.0066 (16) | 0.0139 (15) |
C13 | 0.062 (2) | 0.0375 (16) | 0.066 (2) | 0.0076 (15) | −0.0041 (18) | 0.0094 (16) |
C15 | 0.0391 (15) | 0.0410 (15) | 0.0460 (17) | 0.0018 (12) | 0.0093 (13) | −0.0018 (13) |
C9 | 0.0403 (16) | 0.0327 (13) | 0.0424 (17) | −0.0009 (11) | 0.0084 (14) | 0.0016 (12) |
C10 | 0.0504 (19) | 0.0483 (16) | 0.0490 (19) | 0.0025 (14) | 0.0118 (16) | −0.0075 (15) |
C7 | 0.0368 (15) | 0.0344 (14) | 0.0438 (16) | −0.0056 (11) | 0.0076 (13) | 0.0008 (12) |
C4 | 0.0318 (14) | 0.0381 (14) | 0.0363 (15) | −0.0022 (11) | 0.0033 (12) | −0.0016 (12) |
C5 | 0.0516 (18) | 0.068 (2) | 0.0329 (16) | 0.0151 (15) | 0.0096 (14) | 0.0078 (14) |
C6 | 0.0487 (19) | 0.065 (2) | 0.0448 (18) | 0.0191 (15) | 0.0050 (15) | 0.0042 (15) |
C1 | 0.0384 (16) | 0.0453 (16) | 0.0439 (17) | −0.0041 (12) | 0.0103 (14) | −0.0059 (13) |
C2 | 0.062 (2) | 0.0518 (17) | 0.0394 (16) | 0.0014 (15) | 0.0190 (15) | 0.0049 (14) |
C3 | 0.0523 (18) | 0.0455 (15) | 0.0394 (16) | 0.0096 (13) | 0.0071 (14) | 0.0091 (13) |
C8 | 0.0361 (15) | 0.0489 (16) | 0.0414 (16) | 0.0013 (12) | 0.0053 (13) | −0.0034 (13) |
F1 | 0.1064 (17) | 0.0922 (15) | 0.0497 (12) | −0.0276 (12) | 0.0255 (12) | 0.0104 (10) |
F2 | 0.0570 (12) | 0.1016 (15) | 0.0449 (10) | 0.0159 (10) | −0.0007 (9) | −0.0109 (10) |
F3 | 0.0984 (15) | 0.0669 (12) | 0.0623 (12) | 0.0208 (11) | 0.0139 (11) | −0.0242 (10) |
N2 | 0.0330 (12) | 0.0333 (11) | 0.0376 (12) | 0.0026 (9) | 0.0057 (10) | 0.0032 (10) |
N1 | 0.0515 (17) | 0.0661 (18) | 0.0602 (19) | 0.0030 (14) | 0.0202 (15) | −0.0093 (15) |
O4 | 0.0390 (11) | 0.0445 (11) | 0.0465 (12) | 0.0073 (8) | 0.0106 (9) | 0.0032 (9) |
O3 | 0.0411 (11) | 0.0515 (12) | 0.0426 (11) | 0.0077 (9) | 0.0061 (10) | 0.0037 (9) |
O1 | 0.0898 (18) | 0.0966 (19) | 0.0572 (15) | 0.0128 (14) | 0.0331 (14) | −0.0094 (13) |
O2 | 0.091 (2) | 0.132 (3) | 0.086 (2) | 0.064 (2) | 0.0332 (17) | 0.0184 (19) |
Cu1—N2i | 2.0197 (19) | C10—F2 | 1.324 (3) |
Cu1—N2 | 2.0197 (19) | C10—F1 | 1.326 (3) |
Cu1—O4i | 2.0443 (18) | C10—F3 | 1.328 (3) |
Cu1—O4 | 2.0443 (18) | C7—O3 | 1.249 (3) |
Cu1—O3 | 2.2483 (18) | C7—C8 | 1.424 (4) |
Cu1—O3i | 2.2483 (18) | C7—C4 | 1.500 (3) |
C11—N2 | 1.337 (3) | C4—C5 | 1.373 (4) |
C11—C12 | 1.377 (4) | C4—C3 | 1.388 (3) |
C11—H11 | 0.9300 | C5—C6 | 1.387 (4) |
C14—C13 | 1.357 (4) | C5—H5 | 0.9300 |
C14—C15 | 1.375 (4) | C6—C1 | 1.366 (4) |
C14—H14 | 0.9300 | C6—H6 | 0.9300 |
C12—C13 | 1.372 (4) | C1—C2 | 1.366 (4) |
C12—H12 | 0.9300 | C1—N1 | 1.475 (3) |
C13—H13 | 0.9300 | C2—C3 | 1.369 (4) |
C15—N2 | 1.332 (3) | C2—H2 | 0.9300 |
C15—H15 | 0.9300 | C3—H3 | 0.9300 |
C9—O4 | 1.264 (3) | C8—H8 | 0.9300 |
C9—C8 | 1.375 (4) | N1—O2 | 1.198 (3) |
C9—C10 | 1.531 (4) | N1—O1 | 1.215 (3) |
N2i—Cu1—N2 | 180.0 | F2—C10—C9 | 114.9 (2) |
N2i—Cu1—O4i | 91.30 (8) | F1—C10—C9 | 110.7 (2) |
N2—Cu1—O4i | 88.70 (8) | F3—C10—C9 | 111.3 (2) |
N2i—Cu1—O4 | 88.70 (8) | O3—C7—C8 | 124.6 (2) |
N2—Cu1—O4 | 91.30 (8) | O3—C7—C4 | 116.9 (2) |
O4i—Cu1—O4 | 180.0 | C8—C7—C4 | 118.4 (2) |
N2i—Cu1—O3 | 89.66 (7) | C5—C4—C3 | 118.5 (2) |
N2—Cu1—O3 | 90.34 (7) | C5—C4—C7 | 121.7 (2) |
O4i—Cu1—O3 | 95.04 (7) | C3—C4—C7 | 119.7 (2) |
O4—Cu1—O3 | 84.96 (7) | C4—C5—C6 | 120.6 (3) |
N2i—Cu1—O3i | 90.34 (7) | C4—C5—H5 | 119.7 |
N2—Cu1—O3i | 89.66 (7) | C6—C5—H5 | 119.7 |
O4i—Cu1—O3i | 84.96 (7) | C1—C6—C5 | 118.8 (3) |
O4—Cu1—O3i | 95.04 (7) | C1—C6—H6 | 120.6 |
O3—Cu1—O3i | 180.0 | C5—C6—H6 | 120.6 |
N2—C11—C12 | 122.3 (3) | C2—C1—C6 | 122.0 (3) |
N2—C11—H11 | 118.9 | C2—C1—N1 | 119.6 (2) |
C12—C11—H11 | 118.9 | C6—C1—N1 | 118.4 (3) |
C13—C14—C15 | 119.0 (3) | C1—C2—C3 | 118.5 (3) |
C13—C14—H14 | 120.5 | C1—C2—H2 | 120.8 |
C15—C14—H14 | 120.5 | C3—C2—H2 | 120.8 |
C13—C12—C11 | 118.7 (3) | C2—C3—C4 | 121.5 (3) |
C13—C12—H12 | 120.6 | C2—C3—H3 | 119.2 |
C11—C12—H12 | 120.6 | C4—C3—H3 | 119.2 |
C14—C13—C12 | 119.4 (3) | C9—C8—C7 | 124.6 (3) |
C14—C13—H13 | 120.3 | C9—C8—H8 | 117.7 |
C12—C13—H13 | 120.3 | C7—C8—H8 | 117.7 |
N2—C15—C14 | 122.6 (3) | C15—N2—C11 | 118.0 (2) |
N2—C15—H15 | 118.7 | C15—N2—Cu1 | 121.74 (17) |
C14—C15—H15 | 118.7 | C11—N2—Cu1 | 119.88 (17) |
O4—C9—C8 | 130.0 (3) | O2—N1—O1 | 123.4 (3) |
O4—C9—C10 | 112.7 (2) | O2—N1—C1 | 118.7 (3) |
C8—C9—C10 | 117.2 (2) | O1—N1—C1 | 118.0 (3) |
F2—C10—F1 | 106.4 (3) | C9—O4—Cu1 | 122.10 (16) |
F2—C10—F3 | 106.9 (2) | C7—O3—Cu1 | 118.85 (16) |
F1—C10—F3 | 106.3 (2) | ||
N2—C11—C12—C13 | −0.2 (4) | C14—C15—N2—C11 | −1.2 (4) |
C15—C14—C13—C12 | 0.6 (5) | C14—C15—N2—Cu1 | 171.9 (2) |
C11—C12—C13—C14 | −0.6 (5) | C12—C11—N2—C15 | 1.2 (4) |
C13—C14—C15—N2 | 0.4 (4) | C12—C11—N2—Cu1 | −172.1 (2) |
O4—C9—C10—F2 | 175.3 (2) | O4i—Cu1—N2—C15 | −121.37 (19) |
C8—C9—C10—F2 | −7.8 (4) | O4—Cu1—N2—C15 | 58.63 (19) |
O4—C9—C10—F1 | −64.2 (3) | O3—Cu1—N2—C15 | 143.59 (19) |
C8—C9—C10—F1 | 112.7 (3) | O3i—Cu1—N2—C15 | −36.41 (19) |
O4—C9—C10—F3 | 53.7 (3) | O4i—Cu1—N2—C11 | 51.61 (19) |
C8—C9—C10—F3 | −129.4 (3) | O4—Cu1—N2—C11 | −128.39 (19) |
O3—C7—C4—C5 | 148.8 (3) | O3—Cu1—N2—C11 | −43.43 (19) |
C8—C7—C4—C5 | −28.8 (4) | O3i—Cu1—N2—C11 | 136.57 (19) |
O3—C7—C4—C3 | −27.9 (3) | C2—C1—N1—O2 | −179.7 (3) |
C8—C7—C4—C3 | 154.5 (2) | C6—C1—N1—O2 | 2.3 (4) |
C3—C4—C5—C6 | 1.5 (4) | C2—C1—N1—O1 | 1.1 (4) |
C7—C4—C5—C6 | −175.3 (3) | C6—C1—N1—O1 | −176.8 (3) |
C4—C5—C6—C1 | −0.4 (5) | C8—C9—O4—Cu1 | −22.4 (4) |
C5—C6—C1—C2 | −0.7 (5) | C10—C9—O4—Cu1 | 154.05 (17) |
C5—C6—C1—N1 | 177.2 (3) | N2i—Cu1—O4—C9 | −56.13 (19) |
C6—C1—C2—C3 | 0.5 (4) | N2—Cu1—O4—C9 | 123.87 (19) |
N1—C1—C2—C3 | −177.3 (3) | O3—Cu1—O4—C9 | 33.64 (19) |
C1—C2—C3—C4 | 0.6 (4) | O3i—Cu1—O4—C9 | −146.36 (19) |
C5—C4—C3—C2 | −1.6 (4) | C8—C7—O3—Cu1 | 31.7 (3) |
C7—C4—C3—C2 | 175.2 (3) | C4—C7—O3—Cu1 | −145.79 (17) |
O4—C9—C8—C7 | −1.8 (5) | N2i—Cu1—O3—C7 | 49.69 (18) |
C10—C9—C8—C7 | −178.1 (2) | N2—Cu1—O3—C7 | −130.31 (18) |
O3—C7—C8—C9 | −5.6 (4) | O4i—Cu1—O3—C7 | 140.97 (18) |
C4—C7—C8—C9 | 171.8 (2) | O4—Cu1—O3—C7 | −39.03 (18) |
Symmetry code: (i) −x+1, −y+2, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C8—H8···F2 | 0.93 | 2.33 | 2.723 (3) | 105 |
C5—H5···O1ii | 0.93 | 2.54 | 3.293 (4) | 138 |
Symmetry code: (ii) x, −y+5/2, z−1/2. |
Experimental details
Crystal data | |
Chemical formula | [Cu(C10H5F3NO4)2(C5H5N)2] |
Mr | 742.04 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 292 |
a, b, c (Å) | 12.5939 (9), 8.7423 (6), 14.1918 (10) |
β (°) | 106.245 (1) |
V (Å3) | 1500.13 (18) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 0.83 |
Crystal size (mm) | 0.20 × 0.10 × 0.10 |
Data collection | |
Diffractometer | Bruker APEX CCD area-detector |
Absorption correction | Multi-scan (SADABS; Sheldrick, 2001a) |
Tmin, Tmax | 0.852, 0.922 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 12289, 3278, 2298 |
Rint | 0.080 |
(sin θ/λ)max (Å−1) | 0.639 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.047, 0.108, 0.97 |
No. of reflections | 3278 |
No. of parameters | 223 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.38, −0.61 |
Computer programs: SMART (Bruker, 2001), SAINT-Plus (Bruker, 2001), SAINT-Plus, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Sheldrick, 2001b), SHELXTL.
Cu1—N2i | 2.0197 (19) | Cu1—O4 | 2.0443 (18) |
Cu1—N2 | 2.0197 (19) | Cu1—O3 | 2.2483 (18) |
Cu1—O4i | 2.0443 (18) | Cu1—O3i | 2.2483 (18) |
N2i—Cu1—N2 | 180.0 | O4i—Cu1—O3 | 95.04 (7) |
N2i—Cu1—O4i | 91.30 (8) | O4—Cu1—O3 | 84.96 (7) |
N2—Cu1—O4i | 88.70 (8) | N2i—Cu1—O3i | 90.34 (7) |
N2i—Cu1—O4 | 88.70 (8) | N2—Cu1—O3i | 89.66 (7) |
N2—Cu1—O4 | 91.30 (8) | O4i—Cu1—O3i | 84.96 (7) |
O4i—Cu1—O4 | 180.0 | O4—Cu1—O3i | 95.04 (7) |
N2i—Cu1—O3 | 89.66 (7) | O3—Cu1—O3i | 180.0 |
N2—Cu1—O3 | 90.34 (7) |
Symmetry code: (i) −x+1, −y+2, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C8—H8···F2 | 0.93 | 2.33 | 2.723 (3) | 105.1 |
C5—H5···O1ii | 0.93 | 2.54 | 3.293 (4) | 137.9 |
Symmetry code: (ii) x, −y+5/2, z−1/2. |
1,3-Diketones are invaluable chelating ligand for various lanthanide and transition metals in material chemistry (Shavaleev et al., 2003). In this paper, we report the crystallography structure of the title compound, Cu(C10H5O4F3N)2(C5H5N)2. In the title molecular structure (I), CuII is coordinated by two 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione oxygen atoms and two nitrogen atoms of pyridines, forming a distorted octahedron coordination geometry (Fig. 1).