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The title compound, [Cu(NO3)(C10H8N2)2]PF6, comprises [Cu(NO3)(bpy)2]+ complex cations (bpy = 2,2′-bipyridine) and uncoordinated PF6 anions. The CuII ion is five-coordinated in a distorted trigonal bipyramidal fashion by two bpy mol­ecules and one nitrate anion, which is coordinated in an equatorial position through one O atom at a distance of 2.148 (3)Å. The two axial Cu—N distances are similar (mean = 1.98Å) and are slightly shorter than the two equatorial Cu—N bonds (mean = 2.06Å). Longer Cu...O inter­actions exist between complexes, linking them into polymeric chains.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806018083/bi2008sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806018083/bi2008Isup2.hkl
Contains datablock I

CCDC reference: 610695

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.040
  • wR factor = 0.071
  • Data-to-parameter ratio = 12.0

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O2
Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N1
Alert level C GOODF01_ALERT_2_C The least squares goodness of fit parameter lies outside the range 0.80 <> 2.00 Goodness of fit given = 0.736 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - O1 .. 9.50 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.24
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2003); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2003); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Bis(bipyridine-κ2N,N')nitratocopper(II) hexafluorophosphate top
Crystal data top
[Cu(NO3)(C10H8N2)2]PF6Z = 2
Mr = 582.89F(000) = 586
Triclinic, P1Dx = 1.756 Mg m3
Dm = 1.75 (1) Mg m3
Dm measured by flotation in a mixture of carbon tetrachloride and bromoform
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.449 (1) ÅCell parameters from 9454 reflections
b = 11.329 (2) Åθ = 3.4–28.0°
c = 14.564 (2) ŵ = 1.15 mm1
α = 111.27 (2)°T = 293 K
β = 99.16 (1)°Prism, blue
γ = 98.52 (2)°0.30 × 0.20 × 0.20 mm
V = 1102.0 (3) Å3
Data collection top
Oxford Diffraction Xcalibur CCD
diffractometer
1939 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.040
Graphite monochromatorθmax = 25.0°, θmin = 3.4°
ω scansh = 88
7697 measured reflectionsk = 1213
3894 independent reflectionsl = 1716
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.071H-atom parameters constrained
S = 0.74 w = 1/[σ2(Fo2) + (0.0217P)2]
where P = (Fo2 + 2Fc2)/3
3894 reflections(Δ/σ)max < 0.001
325 parametersΔρmax = 0.34 e Å3
0 restraintsΔρmin = 0.32 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
Cu10.02925 (7)0.35229 (4)0.71969 (3)0.04549 (17)
N110.0529 (4)0.5280 (3)0.8296 (2)0.0403 (8)
C120.0069 (5)0.6334 (4)0.8218 (3)0.0519 (11)
H120.06630.62540.76090.062*
C130.0632 (6)0.7537 (4)0.9000 (3)0.0584 (12)
H130.03040.82610.89220.070*
C140.1685 (6)0.7643 (4)0.9894 (3)0.0593 (12)
H140.20990.84491.04330.071*
C150.2130 (5)0.6565 (4)0.9996 (3)0.0520 (11)
H150.28320.66301.06070.062*
C160.1535 (5)0.5376 (4)0.9185 (3)0.0395 (10)
C170.1918 (5)0.4144 (4)0.9203 (3)0.0386 (10)
N180.1138 (4)0.3084 (3)0.8345 (2)0.0401 (8)
C190.1441 (5)0.1950 (4)0.8319 (3)0.0541 (11)
H190.09260.12170.77240.065*
C1100.2481 (6)0.1793 (5)0.9127 (4)0.0616 (13)
H1100.26510.09780.90810.074*
C1110.3249 (6)0.2878 (5)0.9995 (4)0.0623 (13)
H1110.39580.28131.05530.075*
C1120.2966 (5)0.4061 (4)1.0036 (3)0.0534 (11)
H1120.34790.48041.06240.064*
N210.1220 (4)0.1797 (3)0.6063 (2)0.0361 (8)
C220.2269 (5)0.0757 (4)0.6085 (3)0.0460 (11)
H220.25160.07960.67000.055*
C230.3004 (5)0.0372 (4)0.5243 (3)0.0495 (11)
H230.36720.11000.52920.059*
C240.2733 (5)0.0402 (4)0.4333 (3)0.0533 (11)
H240.32600.11410.37440.064*
C250.1674 (5)0.0671 (4)0.4295 (3)0.0434 (10)
H250.14840.06630.36770.052*
C260.0896 (5)0.1757 (3)0.5168 (3)0.0336 (9)
C270.0337 (5)0.2922 (3)0.5213 (3)0.0334 (9)
N280.0777 (4)0.3922 (3)0.6120 (2)0.0359 (8)
C290.1961 (5)0.5012 (4)0.6236 (3)0.0465 (10)
H290.22890.57050.68650.056*
C2100.2702 (5)0.5144 (4)0.5469 (3)0.0490 (11)
H2100.34910.59190.55690.059*
C2110.2261 (5)0.4120 (4)0.4555 (3)0.0492 (11)
H2110.27700.41810.40270.059*
C2120.1064 (5)0.2996 (4)0.4419 (3)0.0439 (10)
H2120.07460.22910.37970.053*
N10.4096 (6)0.3623 (3)0.7161 (3)0.0562 (10)
O10.2863 (4)0.3329 (3)0.76766 (19)0.0653 (9)
O20.3723 (5)0.3850 (3)0.6454 (3)0.1046 (13)
O30.5565 (5)0.3685 (3)0.7409 (3)0.1016 (13)
P10.5670 (2)0.87295 (11)0.77532 (9)0.0613 (4)
F10.3534 (4)0.8318 (3)0.7660 (2)0.1332 (12)
F20.5255 (4)0.8221 (2)0.65682 (16)0.0926 (9)
F30.7804 (4)0.9140 (3)0.7794 (2)0.1284 (12)
F40.6112 (6)0.9222 (2)0.89169 (17)0.1473 (15)
F50.5463 (4)1.0116 (2)0.78152 (18)0.0944 (9)
F60.5899 (4)0.7335 (2)0.76672 (19)0.1167 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0606 (4)0.0420 (3)0.0330 (3)0.0109 (2)0.0131 (3)0.0131 (3)
N110.053 (2)0.037 (2)0.0296 (19)0.0097 (17)0.0120 (17)0.0102 (17)
C120.063 (3)0.048 (3)0.039 (3)0.011 (2)0.010 (2)0.013 (2)
C130.070 (3)0.043 (3)0.058 (3)0.010 (2)0.023 (3)0.012 (3)
C140.060 (3)0.043 (3)0.054 (3)0.007 (2)0.015 (3)0.001 (3)
C150.045 (3)0.064 (3)0.032 (2)0.002 (2)0.003 (2)0.010 (2)
C160.034 (2)0.050 (3)0.032 (2)0.002 (2)0.013 (2)0.014 (2)
C170.031 (2)0.056 (3)0.034 (2)0.007 (2)0.015 (2)0.021 (2)
N180.043 (2)0.047 (2)0.036 (2)0.0158 (17)0.0152 (17)0.0175 (18)
C190.062 (3)0.059 (3)0.043 (3)0.019 (2)0.018 (2)0.018 (2)
C1100.066 (3)0.074 (4)0.070 (3)0.031 (3)0.024 (3)0.048 (3)
C1110.047 (3)0.100 (4)0.066 (3)0.024 (3)0.016 (3)0.058 (3)
C1120.047 (3)0.072 (3)0.042 (3)0.007 (2)0.008 (2)0.026 (3)
N210.041 (2)0.0325 (19)0.0352 (19)0.0071 (15)0.0115 (16)0.0137 (16)
C220.052 (3)0.050 (3)0.049 (3)0.015 (2)0.020 (2)0.029 (2)
C230.042 (3)0.040 (3)0.063 (3)0.006 (2)0.013 (2)0.018 (3)
C240.048 (3)0.046 (3)0.054 (3)0.005 (2)0.005 (2)0.011 (2)
C250.047 (3)0.044 (3)0.036 (2)0.009 (2)0.009 (2)0.012 (2)
C260.038 (2)0.034 (2)0.029 (2)0.0124 (19)0.0059 (19)0.010 (2)
C270.035 (2)0.035 (2)0.032 (2)0.0108 (19)0.0075 (19)0.014 (2)
N280.037 (2)0.0330 (19)0.0327 (19)0.0055 (16)0.0055 (16)0.0088 (16)
C290.045 (3)0.042 (3)0.040 (2)0.003 (2)0.000 (2)0.009 (2)
C2100.049 (3)0.050 (3)0.055 (3)0.008 (2)0.015 (2)0.030 (3)
C2110.052 (3)0.067 (3)0.047 (3)0.018 (2)0.022 (2)0.038 (3)
C2120.060 (3)0.041 (3)0.033 (2)0.014 (2)0.016 (2)0.013 (2)
N10.062 (3)0.048 (2)0.060 (3)0.017 (2)0.018 (2)0.018 (2)
O10.072 (2)0.083 (2)0.0449 (18)0.0337 (18)0.0119 (17)0.0244 (17)
O20.136 (3)0.137 (3)0.096 (3)0.060 (3)0.056 (3)0.085 (3)
O30.060 (2)0.123 (3)0.140 (3)0.036 (2)0.042 (2)0.059 (3)
P10.0878 (11)0.0422 (8)0.0483 (8)0.0038 (7)0.0134 (7)0.0168 (6)
F10.114 (3)0.120 (3)0.161 (3)0.008 (2)0.066 (2)0.051 (2)
F20.145 (3)0.0741 (18)0.0516 (16)0.0169 (17)0.0195 (17)0.0215 (15)
F30.077 (2)0.121 (3)0.171 (3)0.0052 (18)0.002 (2)0.057 (2)
F40.312 (5)0.0632 (19)0.0377 (16)0.006 (2)0.013 (2)0.0168 (15)
F50.146 (3)0.0507 (17)0.094 (2)0.0305 (16)0.0321 (19)0.0313 (16)
F60.200 (3)0.0496 (17)0.083 (2)0.0221 (18)0.014 (2)0.0280 (16)
Geometric parameters (Å, º) top
Cu1—N111.979 (3)C22—H220.930
Cu1—N182.092 (3)C23—C241.361 (5)
Cu1—N211.980 (3)C23—H230.930
Cu1—N282.025 (3)C24—C251.372 (5)
Cu1—O12.148 (3)C24—H240.930
N11—C121.328 (4)C25—C261.373 (4)
N11—C161.347 (4)C25—H250.930
C12—C131.372 (5)C26—C271.465 (4)
C12—H120.930C27—N281.343 (4)
C13—C141.363 (5)C27—C2121.376 (4)
C13—H130.930N28—C291.346 (4)
C14—C151.364 (5)C29—C2101.367 (5)
C14—H140.930C29—H290.930
C15—C161.381 (5)C210—C2111.361 (5)
C15—H150.930C210—H2100.930
C16—C171.474 (5)C211—C2121.371 (5)
C17—N181.347 (4)C211—H2110.930
C17—C1121.376 (5)C212—H2120.930
N18—C191.325 (4)N1—O31.209 (4)
C19—C1101.385 (5)N1—O21.211 (4)
C19—H190.930N1—O11.254 (4)
C110—C1111.368 (5)O3—Cu1i3.457 (3)
C110—H1100.930P1—F41.541 (2)
C111—C1121.368 (5)P1—F11.560 (3)
C111—H1110.930P1—F21.569 (2)
C112—H1120.930P1—F51.573 (2)
N21—C221.328 (4)P1—F31.574 (3)
N21—C261.349 (4)P1—F61.576 (3)
C22—C231.372 (5)
N11—Cu1—N1880.03 (13)C23—C22—H22118.5
N21—Cu1—N18102.77 (13)C24—C23—C22118.4 (4)
N28—Cu1—N18126.41 (11)C24—C23—H23120.8
N11—Cu1—N21176.97 (13)C22—C23—H23120.8
N11—Cu1—N2898.32 (12)C23—C24—C25119.2 (4)
N21—Cu1—N2880.99 (12)C23—C24—H24120.4
N11—Cu1—O188.16 (11)C25—C24—H24120.4
N18—Cu1—O192.77 (11)C24—C25—C26120.1 (4)
N21—Cu1—O190.55 (12)C24—C25—H25120.0
N28—Cu1—O1140.81 (11)C26—C25—H25120.0
C12—N11—C16119.2 (3)N21—C26—C25120.5 (3)
C12—N11—Cu1123.9 (3)N21—C26—C27115.4 (3)
C16—N11—Cu1116.8 (3)C25—C26—C27124.1 (3)
N11—C12—C13122.6 (4)N28—C27—C212121.6 (3)
N11—C12—H12118.7N28—C27—C26114.2 (3)
C13—C12—H12118.7C212—C27—C26124.1 (3)
C14—C13—C12118.4 (4)C27—N28—C29118.0 (3)
C14—C13—H13120.8C27—N28—Cu1114.2 (2)
C12—C13—H13120.8C29—N28—Cu1127.7 (3)
C13—C14—C15119.9 (4)N28—C29—C210122.8 (4)
C13—C14—H14120.1N28—C29—H29118.6
C15—C14—H14120.1C210—C29—H29118.6
C14—C15—C16119.6 (4)C211—C210—C29118.7 (4)
C14—C15—H15120.2C211—C210—H210120.6
C16—C15—H15120.2C29—C210—H210120.6
N11—C16—C15120.3 (4)C210—C211—C212119.6 (4)
N11—C16—C17115.0 (3)C210—C211—H211120.2
C15—C16—C17124.7 (4)C212—C211—H211120.2
N18—C17—C112121.6 (4)C211—C212—C27119.3 (4)
N18—C17—C16115.3 (3)C211—C212—H212120.4
C112—C17—C16123.1 (4)C27—C212—H212120.4
C19—N18—C17117.8 (3)O3—N1—O2124.1 (4)
C19—N18—Cu1129.3 (3)O3—N1—O1118.3 (4)
C17—N18—Cu1112.9 (3)O2—N1—O1117.6 (4)
N18—C19—C110123.8 (4)N1—O1—Cu1110.7 (3)
N18—C19—H19118.1N1—O3—Cu1i159.5 (3)
C110—C19—H19118.1F4—P1—F192.6 (2)
C111—C110—C19117.6 (4)F4—P1—F2179.0 (2)
C111—C110—H110121.2F1—P1—F288.29 (17)
C19—C110—H110121.2F4—P1—F590.74 (15)
C110—C111—C112119.6 (4)F1—P1—F590.63 (17)
C110—C111—H111120.2F2—P1—F589.75 (14)
C112—C111—H111120.2F4—P1—F390.0 (2)
C111—C112—C17119.6 (4)F1—P1—F3177.31 (19)
C111—C112—H112120.2F2—P1—F389.12 (18)
C17—C112—H112120.2F5—P1—F388.61 (16)
C22—N21—C26118.7 (3)F4—P1—F690.43 (15)
C22—N21—Cu1126.4 (3)F1—P1—F690.11 (18)
C26—N21—Cu1114.5 (2)F2—P1—F689.06 (15)
N21—C22—C23123.0 (3)F5—P1—F6178.58 (18)
N21—C22—H22118.5F3—P1—F690.59 (18)
Symmetry code: (i) x1, y, z.
 

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