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The title dinuclear complex, [Cu2Cl2(C16H13N2P)2], possesses a crystallographically imposed inversion center. Two Cu atoms are connected by two bridging phenyl­bis(2-pyrid­yl)phosphine ligands. Each Cu atom adopts a distorted tetra­hedral geometry, coordinated by one Cl atom [Cu—Cl = 2.3107 (6) Å], two N atoms [Cu—N = 2.065 (2) and 2.066 (2) Å] from one phenyl­bis(2-pyrid­yl)phosphine ligand and one P atom [Cu—P = 2.1757 (7) Å] from another ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806049750/cv2148sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806049750/cv2148Isup2.hkl
Contains datablock I

CCDC reference: 619832

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.035
  • wR factor = 0.094
  • Data-to-parameter ratio = 18.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - Cl1 .. 7.41 su
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 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 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2006).

Bis[µ2-phenylbis(2-pyridyl)phosphine]-κ3N,N':P;κ3P:N,N'- bis[chlorocopper(I)] top
Crystal data top
[Cu2Cl2(C16H13N2P)2]F(000) = 736
Mr = 726.49Dx = 1.519 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 3120 reflections
a = 9.305 (1) Åθ = 2.3–26.0°
b = 10.857 (1) ŵ = 1.64 mm1
c = 15.746 (2) ÅT = 293 K
β = 93.033 (1)°Block, yellow
V = 1588.5 (3) Å30.34 × 0.14 × 0.10 mm
Z = 2
Data collection top
Bruker APEX area-detector
diffractometer
3548 independent reflections
Radiation source: fine-focus sealed tube2901 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.025
φ and ω scansθmax = 27.5°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1211
Tmin = 0.760, Tmax = 0.849k = 1412
9241 measured reflectionsl = 1720
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)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.094H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0513P)2 + 0.1517P]
where P = (Fo2 + 2Fc2)/3
3548 reflections(Δ/σ)max = 0.001
190 parametersΔρmax = 0.44 e Å3
0 restraintsΔρmin = 0.24 e Å3
Special details top

Experimental. CH&N elemental analysis. Calculated for C32H26N4P2Cl2Cu2: C 52.91, H 3.61, N 7.71%. Found: C 53.20, H 3.66, N 7.61%.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.58631 (3)0.34424 (2)0.50471 (2)0.0328 (1)
Cl10.69581 (7)0.15323 (5)0.51186 (4)0.0376 (2)
P10.36520 (7)0.52998 (5)0.59746 (4)0.0308 (2)
N10.3716 (2)0.3057 (2)0.5191 (1)0.0328 (4)
N20.6208 (2)0.4115 (2)0.6268 (1)0.0327 (4)
C10.2869 (2)0.3813 (2)0.5618 (1)0.0318 (5)
C20.1432 (3)0.3537 (2)0.5721 (2)0.0483 (7)
C30.0864 (3)0.2448 (3)0.5386 (2)0.0571 (8)
C40.1743 (3)0.1664 (3)0.4975 (2)0.0531 (7)
C50.3150 (3)0.1991 (2)0.4889 (2)0.0442 (6)
C60.5297 (2)0.4895 (2)0.6619 (1)0.0311 (5)
C70.5637 (3)0.5455 (3)0.7401 (2)0.0450 (6)
C80.6908 (3)0.5163 (3)0.7840 (2)0.0541 (8)
C90.7802 (3)0.4313 (3)0.7498 (2)0.0555 (8)
C100.7428 (3)0.3818 (3)0.6719 (2)0.0439 (6)
C110.2416 (3)0.5753 (2)0.6775 (1)0.0335 (5)
C120.1556 (3)0.6772 (2)0.6629 (2)0.0410 (6)
C130.0562 (3)0.7095 (2)0.7222 (2)0.0496 (7)
C140.0461 (3)0.6444 (2)0.7955 (2)0.0490 (7)
C150.1313 (3)0.5436 (3)0.8107 (2)0.0477 (7)
C160.2278 (3)0.5069 (2)0.7519 (2)0.0432 (6)
H20.08550.40770.60100.058*
H30.01000.22540.54400.069*
H40.13910.09200.47570.064*
H50.37420.14530.46080.053*
H70.50090.60220.76240.054*
H80.71570.55350.83590.065*
H90.86510.40770.77920.067*
H100.80460.32490.64890.053*
H120.16380.72400.61400.049*
H130.00420.77670.71150.060*
H140.01890.66850.83520.059*
H150.12450.49950.86100.057*
H160.28350.43680.76180.052*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0392 (2)0.0305 (2)0.0297 (2)0.0043 (1)0.0101 (1)0.0020 (1)
Cl10.0450 (4)0.0299 (3)0.0385 (3)0.0087 (2)0.0069 (3)0.0034 (2)
P10.0376 (3)0.0271 (3)0.0287 (3)0.0043 (2)0.0115 (2)0.0002 (2)
N10.035 (1)0.033 (1)0.031 (1)0.003 (1)0.004 (1)0.002 (1)
N20.033 (1)0.032 (1)0.033 (1)0.003 (1)0.006 (1)0.002 (1)
C10.034 (1)0.032 (1)0.030 (1)0.004 (1)0.004 (1)0.002 (1)
C20.036 (2)0.052 (2)0.058 (2)0.003 (1)0.010 (1)0.013 (1)
C30.035 (2)0.061 (2)0.076 (2)0.010 (1)0.004 (13)0.014 (2)
C40.048 (2)0.047 (2)0.065 (2)0.008 (1)0.000 (1)0.014 (1)
C50.046 (2)0.039 (1)0.048 (2)0.003 (1)0.001 (12)0.010 (1)
C60.036 (1)0.027 (1)0.031 (1)0.006 (1)0.008 (1)0.000 (1)
C70.050 (2)0.041 (1)0.044 (2)0.007 (1)0.008 (1)0.012 (1)
C80.059 (2)0.064 (2)0.040 (2)0.019 (2)0.002 (1)0.017 (1)
C90.044 (2)0.069 (2)0.052 (2)0.011 (2)0.012 (1)0.007 (2)
C100.034 (1)0.049 (2)0.049 (2)0.001 (1)0.001 (1)0.003 (1)
C110.038 (1)0.031 (1)0.032 (1)0.003 (1)0.012 (1)0.004 (1)
C120.047 (2)0.035 (1)0.042 (1)0.005 (1)0.015 (1)0.001 (1)
C130.048 (2)0.037 (1)0.066 (2)0.008 (1)0.021 (1)0.007 (1)
C140.049 (2)0.052 (2)0.049 (2)0.008 (1)0.024 (1)0.019 (1)
C150.050 (2)0.060 (2)0.035 (1)0.006 (1)0.016 (1)0.001 (1)
C160.047 (2)0.044 (2)0.040 (1)0.004 (1)0.013 (1)0.005 (1)
Geometric parameters (Å, º) top
Cu1—N12.065 (2)C11—C121.377 (3)
Cu1—N22.066 (2)C11—C161.399 (3)
Cu1—P1i2.1757 (7)C12—C131.394 (4)
Cu1—Cl12.3107 (6)C13—C141.361 (4)
P1—C111.818 (2)C14—C151.365 (4)
P1—C61.844 (2)C15—C161.382 (3)
P1—C11.847 (2)C2—H20.93
N1—C11.343 (3)C3—H30.93
N1—C51.348 (3)C4—H40.93
N2—C61.338 (3)C5—H50.93
N2—C101.345 (3)C7—H70.93
C1—C21.388 (4)C8—H80.93
C2—C31.388 (4)C9—H90.93
C3—C41.366 (4)C10—H100.93
C4—C51.371 (4)C12—H120.93
C6—C71.396 (3)C13—H130.93
C7—C81.375 (4)C14—H140.93
C8—C91.371 (4)C15—H150.93
C9—C101.368 (4)C16—H160.93
N1—Cu1—N294.18 (7)C12—C11—P1119.1 (2)
N1—Cu1—P1i116.63 (6)C16—C11—P1121.8 (2)
N1—Cu1—Cl1103.84 (6)C11—C12—C13119.5 (2)
N2—Cu1—P1i115.99 (6)C14—C13—C12121.0 (3)
N2—Cu1—Cl1103.04 (6)C13—C14—C15120.0 (2)
P1i—Cu1—Cl1119.42 (3)C14—C15—C16120.3 (3)
C11—P1—C6102.7 (1)C15—C16—C11120.0 (2)
C11—P1—C1101.1 (1)C3—C2—H2120.4
C6—P1—C1105.2 (1)C1—C2—H2120.4
C11—P1—Cu1i120.41 (8)C4—C3—H3120.5
C6—P1—Cu1i110.95 (7)C2—C3—H3120.5
C1—P1—Cu1i114.72 (8)C5—C4—H4120.5
C1—N1—C5118.2 (2)C3—C4—H4120.5
C1—N1—Cu1121.9 (2)N1—C5—H5118.5
C5—N1—Cu1119.8 (2)C4—C5—H5118.5
C6—N2—C10118.0 (2)C8—C7—H7120.3
C6—N2—Cu1122.5 (2)C6—C7—H7120.3
C10—N2—Cu1119.4 (2)C9—C8—H8120.6
N1—C1—C2121.4 (2)C7—C8—H8120.6
N1—C1—P1117.0 (2)C8—C9—H9120.5
C2—C1—P1121.4 (2)C10—C9—H9120.5
C3—C2—C1119.3 (3)N2—C10—H10118.4
C4—C3—C2119.1 (3)C9—C10—H10118.4
C5—C4—C3118.9 (3)C11—C12—H12120.3
N1—C5—C4123.0 (3)C13—C12—H12120.3
N2—C6—C7121.4 (2)C14—C13—H13119.5
N2—C6—P1116.7 (2)C12—C13—H13119.5
C7—C6—P1121.7 (2)C13—C14—H14120.0
C8—C7—C6119.5 (3)C15—C14—H14120.0
C9—C8—C7118.8 (2)C14—C15—H15119.8
C8—C9—C10119.0 (3)C16—C15—H15119.8
N2—C10—C9123.1 (3)C15—C16—H16120.0
C12—C11—C16119.1 (2)C11—C16—H16120.0
N2—Cu1—N1—C139.4 (2)Cu1—N2—C6—C7172.0 (2)
P1i—Cu1—N1—C182.5 (2)C10—N2—C6—P1179.0 (2)
Cl1—Cu1—N1—C1144.0 (2)Cu1—N2—C6—P12.6 (2)
N2—Cu1—N1—C5137.2 (2)C11—P1—C6—N2156.0 (2)
P1i—Cu1—N1—C5100.9 (2)C1—P1—C6—N250.6 (2)
Cl1—Cu1—N1—C532.7 (2)Cu1i—P1—C6—N274.0 (2)
N1—Cu1—N2—C645.1 (2)C11—P1—C6—C729.4 (2)
P1i—Cu1—N2—C677.3 (2)C1—P1—C6—C7134.9 (2)
Cl1—Cu1—N2—C6150.4 (2)Cu1i—P1—C6—C7100.6 (2)
N1—Cu1—N2—C10138.6 (2)N2—C6—C7—C82.7 (4)
P1i—Cu1—N2—C1099.1 (2)P1—C6—C7—C8177.1 (2)
Cl1—Cu1—N2—C1033.3 (2)C6—C7—C8—C90.8 (4)
C5—N1—C1—C22.5 (3)C7—C8—C9—C102.4 (5)
Cu1—N1—C1—C2179.2 (2)C6—N2—C10—C92.8 (4)
C5—N1—C1—P1176.9 (2)Cu1—N2—C10—C9173.7 (2)
Cu1—N1—C1—P16.4 (2)C8—C9—C10—N20.7 (5)
C11—P1—C1—N1162.6 (2)C6—P1—C11—C12138.0 (2)
C6—P1—C1—N156.0 (2)C1—P1—C11—C12113.5 (2)
Cu1i—P1—C1—N166.2 (2)Cu1i—P1—C11—C1214.1 (2)
C11—P1—C1—C223.0 (2)C6—P1—C11—C1644.4 (2)
C6—P1—C1—C2129.6 (2)C1—P1—C11—C1664.2 (2)
Cu1i—P1—C1—C2108.2 (2)Cu1i—P1—C11—C16168.3 (2)
N1—C1—C2—C31.0 (4)C16—C11—C12—C130.4 (4)
P1—C1—C2—C3175.2 (2)P1—C11—C12—C13177.3 (2)
C1—C2—C3—C41.0 (5)C11—C12—C13—C142.2 (4)
C2—C3—C4—C51.5 (5)C12—C13—C14—C151.8 (4)
C1—N1—C5—C42.0 (4)C13—C14—C15—C160.3 (4)
Cu1—N1—C5—C4178.8 (2)C14—C15—C16—C112.0 (4)
C3—C4—C5—N10.0 (5)C12—C11—C16—C151.6 (4)
C10—N2—C6—C74.4 (3)P1—C11—C16—C15179.2 (2)
Symmetry code: (i) x+1, y+1, z+1.
 

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