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, [Cu2I2(C21H21P)3], one CuI atom is coordinated by one tri-p-tolyl­phosphine and two iodide ligands in a distorted trigonal–planar geometry, whereas the other CuI atom is coordinated by two phosphine and two iodide ligands in a distorted tetra­hedral geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806050318/ng2164sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806050318/ng2164Isup2.hkl
Contains datablock I

CCDC reference: 630197

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.045
  • wR factor = 0.101
  • Data-to-parameter ratio = 20.9

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I1 - Cu1 .. 16.54 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I1 - Cu2 .. 21.38 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I2 - Cu2 .. 11.40 su
Alert level C PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 3000 Deg. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.41 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.80 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) I2 - Cu1 .. 5.22 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for I2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C22 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C65 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C24 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C44 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C61 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C64 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C84
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 16 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 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-NT (Bruker, 1999); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus and XPREP (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

Di-µ-iodo-tris(tri-p-tolylphosphine)-1κP;2κ2P-dicopper(I) top
Crystal data top
[Cu2I2(C21H21P)3]Z = 2
Mr = 1293.92F(000) = 1300
Triclinic, P1Dx = 1.447 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.033 (2) ÅCell parameters from 981 reflections
b = 13.757 (3) Åθ = 3.1–23.0°
c = 20.732 (4) ŵ = 1.87 mm1
α = 94.81 (3)°T = 293 K
β = 90.64 (3)°Cuboid, colorless
γ = 108.54 (3)°0.28 × 0.26 × 0.22 mm
V = 2970.5 (12) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
13380 independent reflections
Radiation source: fine-focus sealed tube7750 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
Detector resolution: 512 pixels mm-1θmax = 27.5°, θmin = 1.6°
ω and φ scansh = 1414
Absorption correction: multi-scan
(SADABS; Bruker, 2004)
k = 917
Tmin = 0.604, Tmax = 0.663l = 2626
19806 measured reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.045 w = 1/[σ2(Fo2) + (0.038P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.101(Δ/σ)max = 0.002
S = 0.99Δρmax = 0.74 e Å3
13380 reflectionsΔρmin = 0.77 e Å3
640 parameters
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.45157 (5)0.86911 (4)0.75558 (3)0.05263 (15)
Cu20.23126 (5)0.68698 (4)0.75595 (2)0.04405 (13)
I10.48367 (3)0.69244 (2)0.756840 (14)0.04912 (9)
I20.22916 (3)0.88516 (2)0.756311 (18)0.06693 (11)
P10.63420 (11)0.99998 (9)0.76178 (6)0.0493 (3)
P20.17626 (10)0.63446 (8)0.85569 (5)0.0392 (2)
P30.14825 (11)0.61160 (9)0.65629 (5)0.0440 (3)
C110.6302 (5)1.1281 (3)0.7492 (2)0.0522 (11)
C120.7397 (5)1.2110 (4)0.7401 (2)0.0686 (14)
H120.81811.20010.73440.082*
C130.7312 (6)1.3090 (4)0.7395 (3)0.0852 (18)
H130.80471.36320.7330.102*
C140.6177 (7)1.3292 (4)0.7481 (3)0.0803 (17)
C150.5097 (6)1.2466 (4)0.7532 (3)0.0787 (16)
H150.43081.25740.75640.094*
C160.5152 (5)1.1473 (4)0.7536 (2)0.0622 (13)
H160.44021.09290.75680.075*
C170.6114 (8)1.4377 (4)0.7523 (3)0.139 (3)
H17A0.68531.48170.73330.209*
H17B0.60951.46210.7970.209*
H17C0.53551.43820.72950.209*
C210.7516 (4)0.9777 (3)0.7067 (2)0.0532 (11)
C220.8779 (5)0.9982 (5)0.7224 (3)0.0889 (18)
H220.90891.02640.76410.107*
C230.9616 (6)0.9779 (5)0.6775 (3)0.0940 (19)
H231.04780.99380.68930.113*
C240.9191 (6)0.9353 (4)0.6166 (3)0.0730 (15)
C250.7932 (7)0.9145 (5)0.6016 (3)0.0915 (18)
H250.76190.8860.560.11*
C260.7105 (5)0.9340 (4)0.6457 (2)0.0724 (15)
H260.62430.9170.63360.087*
C271.0105 (6)0.9083 (5)0.5692 (3)0.106 (2)
H27A0.96620.84550.54330.16*
H27B1.08110.89960.59280.16*
H27C1.04180.96290.54160.16*
C310.7117 (4)1.0193 (3)0.8420 (2)0.0480 (11)
C320.7339 (4)1.1091 (3)0.8822 (2)0.0527 (11)
H320.71181.16340.86750.063*
C330.7883 (4)1.1197 (4)0.9437 (2)0.0541 (12)
H330.80241.18130.96940.065*
C340.8222 (4)1.0415 (4)0.9680 (2)0.0556 (12)
C350.7977 (4)0.9508 (4)0.9287 (2)0.0627 (13)
H350.81820.89610.94410.075*
C360.7434 (4)0.9396 (3)0.8670 (2)0.0577 (12)
H360.72780.87740.84170.069*
C370.8807 (5)1.0562 (4)1.0358 (2)0.0736 (15)
H37A0.81621.0551.06670.11*
H37B0.94781.12121.04180.11*
H37C0.91541.00171.04190.11*
C410.2175 (4)0.6849 (3)0.58814 (19)0.0491 (11)
C420.3477 (5)0.7236 (4)0.5861 (2)0.0820 (17)
H420.39850.71210.61880.098*
C430.4048 (6)0.7793 (5)0.5360 (3)0.0927 (19)
H430.49360.80290.5350.111*
C440.3337 (6)0.8008 (4)0.4877 (2)0.0754 (16)
C450.2042 (6)0.7612 (4)0.4896 (2)0.0742 (16)
H450.15350.77330.45710.089*
C460.1465 (5)0.7037 (4)0.5386 (2)0.0615 (13)
H460.05770.67690.53820.074*
C470.3988 (7)0.8630 (5)0.4327 (3)0.125 (3)
H47A0.35090.90660.42090.188*
H47B0.40240.81690.3960.188*
H47C0.48410.90470.44680.188*
C510.0230 (4)0.5849 (3)0.64064 (19)0.0473 (11)
C520.0767 (4)0.6613 (4)0.6580 (2)0.0554 (12)
H520.02620.72270.68020.067*
C530.2033 (5)0.6483 (4)0.6431 (2)0.0625 (13)
H530.23680.70090.65520.075*
C540.2815 (5)0.5572 (4)0.6102 (2)0.0649 (14)
C550.2290 (5)0.4815 (4)0.5941 (2)0.0703 (14)
H550.280.41980.57240.084*
C560.1022 (5)0.4936 (4)0.6091 (2)0.0602 (13)
H560.06990.440.5980.072*
C570.4194 (5)0.5433 (5)0.5924 (3)0.101 (2)
H57A0.46670.47120.58620.151*
H57B0.42380.57460.55310.151*
H57C0.45530.57540.62670.151*
C610.1727 (4)0.4886 (3)0.6365 (2)0.0480 (11)
C620.1948 (5)0.4526 (4)0.5746 (2)0.0653 (14)
H620.19520.49220.54030.078*
C630.2161 (5)0.3592 (4)0.5629 (2)0.0753 (16)
H630.22930.33680.52070.09*
C640.2181 (6)0.2996 (4)0.6109 (3)0.0786 (16)
C650.1934 (7)0.3327 (5)0.6721 (3)0.109 (2)
H650.18950.29110.70570.131*
C660.1742 (6)0.4266 (4)0.6847 (2)0.0849 (18)
H660.16180.44850.7270.102*
C670.2444 (8)0.1970 (5)0.5992 (3)0.135 (3)
H67A0.29470.19810.56160.202*
H67B0.16480.1420.59240.202*
H67C0.29030.18660.63620.202*
C710.0237 (4)0.6430 (3)0.88445 (19)0.0409 (10)
C720.0590 (4)0.6632 (4)0.8410 (2)0.0564 (12)
H720.03440.67540.79880.068*
C730.1785 (4)0.6653 (4)0.8598 (2)0.0632 (13)
H730.2330.6790.82980.076*
C740.2182 (4)0.6478 (3)0.9212 (2)0.0554 (12)
C750.1341 (5)0.6300 (4)0.9649 (2)0.0592 (12)
H750.15820.61911.00720.071*
C760.0151 (4)0.6281 (3)0.9469 (2)0.0521 (11)
H760.04010.61660.97740.063*
C770.3496 (5)0.6467 (4)0.9414 (3)0.0903 (18)
H77A0.40290.5770.94420.135*
H77B0.38670.67750.90990.135*
H77C0.34280.68510.98290.135*
C810.1598 (4)0.4992 (3)0.86011 (18)0.0409 (10)
C820.0428 (4)0.4230 (3)0.8570 (2)0.0559 (12)
H820.03170.44080.85620.067*
C830.0343 (5)0.3203 (4)0.8549 (2)0.0639 (13)
H830.04610.27070.85350.077*
C840.1412 (5)0.2893 (4)0.8549 (2)0.0593 (12)
C850.2586 (5)0.3660 (4)0.8576 (2)0.0572 (12)
H850.33280.34780.85820.069*
C860.2689 (4)0.4680 (3)0.85942 (19)0.0483 (11)
H860.34950.51730.86020.058*
C870.1291 (6)0.1769 (4)0.8527 (3)0.103 (2)
H87A0.04060.1360.84640.155*
H87B0.16240.16330.89270.155*
H87C0.17660.15960.81750.155*
C910.2913 (4)0.6987 (3)0.92230 (18)0.0412 (10)
C920.3048 (4)0.6523 (3)0.9777 (2)0.0510 (11)
H920.25420.58490.9820.061*
C930.3931 (5)0.7059 (4)1.0268 (2)0.0600 (13)
H930.39890.67411.06410.072*
C940.4719 (4)0.8040 (4)1.0219 (2)0.0582 (13)
C950.4590 (4)0.8497 (4)0.9667 (2)0.0559 (12)
H950.51110.91660.96240.067*
C960.3702 (4)0.7982 (3)0.91748 (19)0.0457 (10)
H960.36370.8310.88080.055*
C970.5682 (5)0.8621 (5)1.0747 (2)0.0872 (18)
H97A0.65190.88391.05740.131*
H97B0.56720.81831.10850.131*
H97C0.54690.92131.09210.131*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0497 (3)0.0496 (3)0.0563 (3)0.0133 (3)0.0043 (3)0.0036 (3)
Cu20.0459 (3)0.0474 (3)0.0362 (3)0.0114 (2)0.0001 (2)0.0033 (2)
I10.04416 (17)0.05068 (18)0.05504 (19)0.01866 (13)0.00237 (13)0.00514 (14)
I20.0511 (2)0.0476 (2)0.1032 (3)0.01723 (15)0.01029 (18)0.00919 (17)
P10.0488 (7)0.0456 (7)0.0521 (7)0.0142 (5)0.0043 (6)0.0018 (5)
P20.0375 (6)0.0441 (6)0.0356 (6)0.0129 (5)0.0009 (5)0.0026 (5)
P30.0451 (7)0.0496 (7)0.0352 (6)0.0129 (5)0.0017 (5)0.0015 (5)
C110.062 (3)0.045 (3)0.048 (3)0.015 (2)0.005 (2)0.004 (2)
C120.068 (4)0.062 (4)0.069 (3)0.008 (3)0.001 (3)0.018 (3)
C130.107 (5)0.051 (4)0.081 (4)0.002 (3)0.003 (4)0.024 (3)
C140.124 (6)0.055 (4)0.065 (4)0.029 (4)0.014 (4)0.019 (3)
C150.102 (5)0.060 (4)0.085 (4)0.038 (3)0.018 (3)0.016 (3)
C160.069 (4)0.055 (3)0.065 (3)0.023 (3)0.005 (3)0.006 (2)
C170.232 (10)0.050 (4)0.139 (6)0.046 (5)0.040 (6)0.022 (4)
C210.059 (3)0.049 (3)0.050 (3)0.018 (2)0.003 (2)0.001 (2)
C220.061 (4)0.141 (6)0.065 (4)0.038 (4)0.004 (3)0.009 (3)
C230.067 (4)0.145 (6)0.085 (4)0.055 (4)0.007 (3)0.010 (4)
C240.092 (5)0.069 (4)0.070 (4)0.041 (3)0.023 (3)0.014 (3)
C250.101 (5)0.109 (5)0.059 (4)0.030 (4)0.002 (4)0.012 (3)
C260.067 (4)0.089 (4)0.057 (3)0.024 (3)0.006 (3)0.010 (3)
C270.129 (6)0.092 (5)0.118 (5)0.059 (4)0.054 (4)0.018 (4)
C310.041 (3)0.048 (3)0.053 (3)0.012 (2)0.003 (2)0.002 (2)
C320.054 (3)0.053 (3)0.053 (3)0.021 (2)0.003 (2)0.004 (2)
C330.050 (3)0.056 (3)0.052 (3)0.014 (2)0.004 (2)0.005 (2)
C340.037 (3)0.069 (3)0.058 (3)0.012 (2)0.004 (2)0.007 (3)
C350.062 (3)0.058 (3)0.069 (3)0.021 (3)0.009 (3)0.009 (3)
C360.060 (3)0.050 (3)0.063 (3)0.020 (2)0.008 (2)0.004 (2)
C370.069 (4)0.089 (4)0.059 (3)0.020 (3)0.012 (3)0.010 (3)
C410.055 (3)0.056 (3)0.034 (2)0.016 (2)0.001 (2)0.000 (2)
C420.068 (4)0.117 (5)0.047 (3)0.005 (3)0.005 (3)0.025 (3)
C430.072 (4)0.118 (5)0.058 (4)0.014 (3)0.001 (3)0.022 (3)
C440.105 (5)0.061 (4)0.052 (3)0.014 (3)0.010 (3)0.009 (3)
C450.104 (5)0.089 (4)0.047 (3)0.051 (4)0.007 (3)0.020 (3)
C460.069 (3)0.075 (3)0.050 (3)0.033 (3)0.003 (3)0.012 (3)
C470.165 (7)0.130 (6)0.068 (4)0.021 (5)0.027 (4)0.033 (4)
C510.051 (3)0.054 (3)0.036 (2)0.016 (2)0.002 (2)0.004 (2)
C520.057 (3)0.062 (3)0.047 (3)0.019 (2)0.004 (2)0.002 (2)
C530.060 (3)0.075 (4)0.058 (3)0.029 (3)0.003 (3)0.007 (3)
C540.046 (3)0.100 (4)0.046 (3)0.021 (3)0.002 (2)0.003 (3)
C550.059 (3)0.077 (4)0.060 (3)0.009 (3)0.009 (3)0.018 (3)
C560.057 (3)0.064 (3)0.055 (3)0.018 (3)0.004 (2)0.012 (2)
C570.062 (4)0.153 (6)0.082 (4)0.033 (4)0.017 (3)0.010 (4)
C610.049 (3)0.056 (3)0.037 (2)0.015 (2)0.004 (2)0.001 (2)
C620.085 (4)0.066 (3)0.047 (3)0.027 (3)0.010 (3)0.003 (2)
C630.105 (5)0.074 (4)0.049 (3)0.034 (3)0.008 (3)0.010 (3)
C640.112 (5)0.065 (4)0.066 (4)0.044 (3)0.004 (3)0.014 (3)
C650.216 (8)0.075 (4)0.057 (4)0.072 (5)0.001 (4)0.012 (3)
C660.165 (6)0.063 (4)0.041 (3)0.057 (4)0.010 (3)0.001 (3)
C670.227 (9)0.097 (5)0.105 (5)0.093 (6)0.009 (5)0.018 (4)
C710.039 (2)0.044 (2)0.040 (2)0.0148 (19)0.0024 (19)0.0029 (19)
C720.052 (3)0.081 (4)0.043 (3)0.029 (3)0.006 (2)0.014 (2)
C730.046 (3)0.085 (4)0.067 (3)0.030 (3)0.000 (2)0.014 (3)
C740.041 (3)0.064 (3)0.062 (3)0.019 (2)0.011 (2)0.000 (2)
C750.060 (3)0.073 (3)0.044 (3)0.021 (3)0.013 (2)0.004 (2)
C760.047 (3)0.069 (3)0.043 (3)0.023 (2)0.003 (2)0.005 (2)
C770.060 (4)0.116 (5)0.105 (5)0.042 (3)0.025 (3)0.012 (4)
C810.043 (3)0.042 (2)0.037 (2)0.012 (2)0.0055 (19)0.0069 (18)
C820.041 (3)0.056 (3)0.069 (3)0.012 (2)0.004 (2)0.009 (2)
C830.060 (3)0.047 (3)0.077 (4)0.005 (2)0.011 (3)0.010 (2)
C840.070 (4)0.048 (3)0.058 (3)0.016 (3)0.009 (3)0.009 (2)
C850.061 (3)0.059 (3)0.060 (3)0.030 (3)0.003 (2)0.008 (2)
C860.044 (3)0.045 (3)0.054 (3)0.011 (2)0.007 (2)0.009 (2)
C870.096 (5)0.053 (4)0.160 (6)0.022 (3)0.022 (4)0.018 (4)
C910.041 (2)0.049 (3)0.035 (2)0.018 (2)0.0006 (18)0.0006 (19)
C920.054 (3)0.055 (3)0.047 (3)0.023 (2)0.000 (2)0.004 (2)
C930.059 (3)0.088 (4)0.042 (3)0.037 (3)0.001 (2)0.007 (3)
C940.038 (3)0.088 (4)0.045 (3)0.020 (3)0.004 (2)0.010 (3)
C950.045 (3)0.063 (3)0.053 (3)0.012 (2)0.002 (2)0.008 (2)
C960.051 (3)0.053 (3)0.031 (2)0.014 (2)0.003 (2)0.000 (2)
C970.058 (4)0.135 (5)0.059 (3)0.023 (3)0.020 (3)0.012 (3)
Geometric parameters (Å, º) top
Cu1—P12.2287 (16)C47—H47C0.96
Cu1—I22.5329 (8)C51—C561.386 (6)
Cu1—I12.5673 (8)C51—C521.387 (6)
Cu1—Cu22.8839 (14)C52—C531.378 (6)
Cu2—P22.2729 (13)C52—H520.93
Cu2—P32.2754 (14)C53—C541.392 (6)
Cu2—I22.7332 (8)C53—H530.93
Cu2—I12.7618 (8)C54—C551.364 (6)
P1—C211.816 (5)C54—C571.509 (6)
P1—C111.818 (4)C55—C561.384 (6)
P1—C311.821 (4)C55—H550.93
P2—C811.821 (4)C56—H560.93
P2—C711.827 (4)C57—H57A0.96
P2—C911.828 (4)C57—H57B0.96
P3—C611.812 (4)C57—H57C0.96
P3—C511.826 (4)C61—C661.370 (6)
P3—C411.836 (4)C61—C621.389 (5)
C11—C161.378 (6)C62—C631.381 (6)
C11—C121.401 (6)C62—H620.93
C12—C131.382 (7)C63—C641.347 (7)
C12—H120.93C63—H630.93
C13—C141.378 (8)C64—C651.372 (7)
C13—H130.93C64—C671.529 (7)
C14—C151.373 (8)C65—C661.379 (6)
C14—C171.511 (7)C65—H650.93
C15—C161.387 (6)C66—H660.93
C15—H150.93C67—H67A0.96
C16—H160.93C67—H67B0.96
C17—H17A0.96C67—H67C0.96
C17—H17B0.96C71—C761.380 (5)
C17—H17C0.96C71—C721.381 (5)
C21—C221.361 (6)C72—C731.389 (6)
C21—C261.363 (6)C72—H720.93
C22—C231.393 (7)C73—C741.368 (6)
C22—H220.93C73—H730.93
C23—C241.358 (7)C74—C751.381 (6)
C23—H230.93C74—C771.509 (6)
C24—C251.354 (7)C75—C761.376 (6)
C24—C271.523 (7)C75—H750.93
C25—C261.369 (7)C76—H760.93
C25—H250.93C77—H77A0.96
C26—H260.93C77—H77B0.96
C27—H27A0.96C77—H77C0.96
C27—H27B0.96C81—C821.378 (6)
C27—H27C0.96C81—C861.400 (5)
C31—C321.383 (5)C82—C831.382 (6)
C31—C361.388 (6)C82—H820.93
C32—C331.379 (6)C83—C841.376 (6)
C32—H320.93C83—H830.93
C33—C341.375 (6)C84—C851.384 (6)
C33—H330.93C84—C871.506 (6)
C34—C351.380 (6)C85—C861.368 (5)
C34—C371.510 (6)C85—H850.93
C35—C361.383 (6)C86—H860.93
C35—H350.93C87—H87A0.96
C36—H360.93C87—H87B0.96
C37—H37A0.96C87—H87C0.96
C37—H37B0.96C91—C961.382 (6)
C37—H37C0.96C91—C921.388 (5)
C41—C421.367 (6)C92—C931.387 (6)
C41—C461.374 (6)C92—H920.93
C42—C431.379 (7)C93—C941.366 (7)
C42—H420.93C93—H930.93
C43—C441.373 (7)C94—C951.378 (6)
C43—H430.93C94—C971.501 (6)
C44—C451.360 (7)C95—C961.385 (5)
C44—C471.530 (7)C95—H950.93
C45—C461.376 (7)C96—H960.93
C45—H450.93C97—H97A0.96
C46—H460.93C97—H97B0.96
C47—H47A0.96C97—H97C0.96
C47—H47B0.96
P1—Cu1—I2125.57 (4)C44—C47—H47A109.5
P1—Cu1—I1113.52 (4)C44—C47—H47B109.5
I2—Cu1—I1120.74 (4)H47A—C47—H47B109.5
P1—Cu1—Cu2173.21 (4)C44—C47—H47C109.5
I2—Cu1—Cu260.19 (3)H47A—C47—H47C109.5
I1—Cu1—Cu260.55 (2)H47B—C47—H47C109.5
P2—Cu2—P3129.88 (5)C56—C51—C52117.5 (4)
P2—Cu2—I2107.73 (4)C56—C51—P3123.5 (3)
P3—Cu2—I2104.55 (4)C52—C51—P3118.9 (3)
P2—Cu2—I1100.35 (4)C53—C52—C51121.4 (4)
P3—Cu2—I1105.20 (4)C53—C52—H52119.3
I2—Cu2—I1107.56 (4)C51—C52—H52119.3
P2—Cu2—Cu1114.82 (5)C52—C53—C54120.7 (4)
P3—Cu2—Cu1115.14 (5)C52—C53—H53119.7
I2—Cu2—Cu153.52 (2)C54—C53—H53119.7
I1—Cu2—Cu154.04 (2)C55—C54—C53117.8 (5)
Cu1—I1—Cu265.41 (3)C55—C54—C57121.3 (5)
Cu1—I2—Cu266.28 (3)C53—C54—C57120.9 (5)
C21—P1—C11105.2 (2)C54—C55—C56122.0 (5)
C21—P1—C31104.8 (2)C54—C55—H55119
C11—P1—C31102.5 (2)C56—C55—H55119
C21—P1—Cu1112.77 (16)C55—C56—C51120.6 (4)
C11—P1—Cu1119.14 (16)C55—C56—H56119.7
C31—P1—Cu1111.11 (15)C51—C56—H56119.7
C81—P2—C71103.08 (18)C54—C57—H57A109.5
C81—P2—C91102.74 (18)C54—C57—H57B109.5
C71—P2—C91104.27 (18)H57A—C57—H57B109.5
C81—P2—Cu2112.39 (13)C54—C57—H57C109.5
C71—P2—Cu2116.67 (14)H57A—C57—H57C109.5
C91—P2—Cu2115.98 (14)H57B—C57—H57C109.5
C61—P3—C51104.1 (2)C66—C61—C62116.2 (4)
C61—P3—C41103.11 (19)C66—C61—P3119.7 (3)
C51—P3—C41102.1 (2)C62—C61—P3124.1 (4)
C61—P3—Cu2113.22 (14)C63—C62—C61121.3 (5)
C51—P3—Cu2117.41 (14)C63—C62—H62119.4
C41—P3—Cu2115.12 (15)C61—C62—H62119.4
C16—C11—C12117.8 (4)C64—C63—C62121.7 (5)
C16—C11—P1118.7 (4)C64—C63—H63119.2
C12—C11—P1123.4 (4)C62—C63—H63119.2
C13—C12—C11119.9 (5)C63—C64—C65117.8 (5)
C13—C12—H12120.1C63—C64—C67122.4 (5)
C11—C12—H12120.1C65—C64—C67119.8 (5)
C14—C13—C12122.2 (5)C64—C65—C66121.0 (5)
C14—C13—H13118.9C64—C65—H65119.5
C12—C13—H13118.9C66—C65—H65119.5
C15—C14—C13117.3 (5)C61—C66—C65121.8 (5)
C15—C14—C17121.0 (6)C61—C66—H66119.1
C13—C14—C17121.7 (6)C65—C66—H66119.1
C14—C15—C16121.6 (5)C64—C67—H67A109.5
C14—C15—H15119.2C64—C67—H67B109.5
C16—C15—H15119.2H67A—C67—H67B109.5
C11—C16—C15121.0 (5)C64—C67—H67C109.5
C11—C16—H16119.5H67A—C67—H67C109.5
C15—C16—H16119.5H67B—C67—H67C109.5
C14—C17—H17A109.5C76—C71—C72117.9 (4)
C14—C17—H17B109.5C76—C71—P2123.7 (3)
H17A—C17—H17B109.5C72—C71—P2118.3 (3)
C14—C17—H17C109.5C71—C72—C73120.4 (4)
H17A—C17—H17C109.5C71—C72—H72119.8
H17B—C17—H17C109.5C73—C72—H72119.8
C22—C21—C26116.9 (5)C74—C73—C72121.6 (4)
C22—C21—P1124.9 (4)C74—C73—H73119.2
C26—C21—P1118.1 (4)C72—C73—H73119.2
C21—C22—C23121.4 (5)C73—C74—C75117.8 (4)
C21—C22—H22119.3C73—C74—C77121.9 (5)
C23—C22—H22119.3C75—C74—C77120.4 (4)
C24—C23—C22120.8 (5)C76—C75—C74121.1 (4)
C24—C23—H23119.6C76—C75—H75119.4
C22—C23—H23119.6C74—C75—H75119.4
C25—C24—C23117.4 (5)C75—C76—C71121.1 (4)
C25—C24—C27122.4 (6)C75—C76—H76119.4
C23—C24—C27120.2 (6)C71—C76—H76119.4
C24—C25—C26122.0 (5)C74—C77—H77A109.5
C24—C25—H25119C74—C77—H77B109.5
C26—C25—H25119H77A—C77—H77B109.5
C21—C26—C25121.5 (5)C74—C77—H77C109.5
C21—C26—H26119.3H77A—C77—H77C109.5
C25—C26—H26119.3H77B—C77—H77C109.5
C24—C27—H27A109.5C82—C81—C86117.1 (4)
C24—C27—H27B109.5C82—C81—P2122.7 (3)
H27A—C27—H27B109.5C86—C81—P2119.8 (3)
C24—C27—H27C109.5C81—C82—C83121.0 (4)
H27A—C27—H27C109.5C81—C82—H82119.5
H27B—C27—H27C109.5C83—C82—H82119.5
C32—C31—C36116.9 (4)C84—C83—C82122.0 (4)
C32—C31—P1122.8 (3)C84—C83—H83119
C36—C31—P1120.1 (3)C82—C83—H83119
C33—C32—C31121.4 (4)C83—C84—C85116.8 (4)
C33—C32—H32119.3C83—C84—C87120.9 (5)
C31—C32—H32119.3C85—C84—C87122.3 (5)
C34—C33—C32121.7 (4)C86—C85—C84122.0 (4)
C34—C33—H33119.1C86—C85—H85119
C32—C33—H33119.1C84—C85—H85119
C33—C34—C35117.3 (4)C85—C86—C81121.0 (4)
C33—C34—C37120.0 (4)C85—C86—H86119.5
C35—C34—C37122.7 (4)C81—C86—H86119.5
C34—C35—C36121.3 (4)C84—C87—H87A109.5
C34—C35—H35119.4C84—C87—H87B109.5
C36—C35—H35119.4H87A—C87—H87B109.5
C35—C36—C31121.3 (4)C84—C87—H87C109.5
C35—C36—H36119.3H87A—C87—H87C109.5
C31—C36—H36119.3H87B—C87—H87C109.5
C34—C37—H37A109.5C96—C91—C92117.8 (4)
C34—C37—H37B109.5C96—C91—P2118.8 (3)
H37A—C37—H37B109.5C92—C91—P2123.4 (3)
C34—C37—H37C109.5C93—C92—C91120.5 (4)
H37A—C37—H37C109.5C93—C92—H92119.8
H37B—C37—H37C109.5C91—C92—H92119.8
C42—C41—C46117.5 (4)C94—C93—C92121.8 (4)
C42—C41—P3118.4 (3)C94—C93—H93119.1
C46—C41—P3124.1 (4)C92—C93—H93119.1
C41—C42—C43120.8 (5)C93—C94—C95117.7 (4)
C41—C42—H42119.6C93—C94—C97122.1 (5)
C43—C42—H42119.6C95—C94—C97120.3 (5)
C44—C43—C42121.6 (6)C94—C95—C96121.5 (5)
C44—C43—H43119.2C94—C95—H95119.3
C42—C43—H43119.2C96—C95—H95119.3
C45—C44—C43117.3 (5)C91—C96—C95120.8 (4)
C45—C44—C47121.8 (6)C91—C96—H96119.6
C43—C44—C47120.8 (6)C95—C96—H96119.6
C44—C45—C46121.4 (5)C94—C97—H97A109.5
C44—C45—H45119.3C94—C97—H97B109.5
C46—C45—H45119.3H97A—C97—H97B109.5
C41—C46—C45121.3 (5)C94—C97—H97C109.5
C41—C46—H46119.4H97A—C97—H97C109.5
C45—C46—H46119.4H97B—C97—H97C109.5
I2—Cu1—Cu2—P294.32 (4)C51—P3—C41—C42176.4 (4)
I1—Cu1—Cu2—P284.79 (4)Cu2—P3—C41—C4248.0 (4)
I2—Cu1—Cu2—P389.90 (5)C61—P3—C41—C46104.1 (4)
I1—Cu1—Cu2—P390.99 (5)C51—P3—C41—C463.7 (4)
I1—Cu1—Cu2—I2179.11 (2)Cu2—P3—C41—C46132.1 (3)
I2—Cu1—Cu2—I1179.11 (2)C46—C41—C42—C430.1 (8)
P1—Cu1—I1—Cu2176.31 (4)P3—C41—C42—C43179.9 (5)
I2—Cu1—I1—Cu20.90 (2)C41—C42—C43—C442.0 (9)
P2—Cu2—I1—Cu1113.24 (5)C42—C43—C44—C452.7 (9)
P3—Cu2—I1—Cu1110.29 (5)C42—C43—C44—C47179.8 (6)
I2—Cu2—I1—Cu10.75 (4)C43—C44—C45—C461.3 (8)
P1—Cu1—I2—Cu2175.73 (5)C47—C44—C45—C46178.7 (5)
I1—Cu1—I2—Cu20.90 (2)C42—C41—C46—C451.5 (7)
P2—Cu2—I2—Cu1108.16 (5)P3—C41—C46—C45178.5 (4)
P3—Cu2—I2—Cu1110.73 (5)C44—C45—C46—C410.8 (8)
I1—Cu2—I2—Cu10.75 (4)C61—P3—C51—C5610.6 (4)
I2—Cu1—P1—C21138.07 (16)C41—P3—C51—C5696.5 (4)
I1—Cu1—P1—C2146.78 (16)Cu2—P3—C51—C56136.6 (3)
I2—Cu1—P1—C1114.07 (18)C61—P3—C51—C52172.8 (3)
I1—Cu1—P1—C11170.77 (16)C41—P3—C51—C5280.1 (4)
I2—Cu1—P1—C31104.66 (15)Cu2—P3—C51—C5246.8 (4)
I1—Cu1—P1—C3170.50 (15)C56—C51—C52—C531.6 (6)
P3—Cu2—P2—C8147.19 (16)P3—C51—C52—C53175.2 (3)
I2—Cu2—P2—C81174.84 (14)C51—C52—C53—C540.2 (7)
I1—Cu2—P2—C8172.80 (15)C52—C53—C54—C550.9 (7)
Cu1—Cu2—P2—C81127.83 (15)C52—C53—C54—C57178.6 (5)
P3—Cu2—P2—C7171.55 (16)C53—C54—C55—C560.5 (8)
I2—Cu2—P2—C7156.10 (15)C57—C54—C55—C56179.0 (5)
I1—Cu2—P2—C71168.46 (15)C54—C55—C56—C510.9 (8)
Cu1—Cu2—P2—C71113.43 (15)C52—C51—C56—C551.9 (7)
P3—Cu2—P2—C91164.97 (14)P3—C51—C56—C55174.7 (4)
I2—Cu2—P2—C9167.38 (14)C51—P3—C61—C6696.0 (4)
I1—Cu2—P2—C9144.98 (14)C41—P3—C61—C66157.7 (4)
Cu1—Cu2—P2—C9110.05 (14)Cu2—P3—C61—C6632.7 (5)
P2—Cu2—P3—C6164.60 (17)C51—P3—C61—C6286.1 (4)
I2—Cu2—P3—C61166.59 (16)C41—P3—C61—C6220.2 (4)
I1—Cu2—P3—C6153.41 (16)Cu2—P3—C61—C62145.2 (4)
Cu1—Cu2—P3—C61110.41 (16)C66—C61—C62—C630.4 (7)
P2—Cu2—P3—C5156.83 (17)P3—C61—C62—C63178.3 (4)
I2—Cu2—P3—C5171.98 (16)C61—C62—C63—C640.9 (9)
I1—Cu2—P3—C51174.84 (16)C62—C63—C64—C652.5 (9)
Cu1—Cu2—P3—C51128.16 (16)C62—C63—C64—C67178.6 (6)
P2—Cu2—P3—C41177.13 (16)C63—C64—C65—C663.6 (10)
I2—Cu2—P3—C4148.31 (16)C67—C64—C65—C66177.5 (6)
I1—Cu2—P3—C4164.86 (16)C62—C61—C66—C651.5 (9)
Cu1—Cu2—P3—C417.86 (16)P3—C61—C66—C65179.5 (5)
C21—P1—C11—C16144.9 (4)C64—C65—C66—C613.2 (11)
C31—P1—C11—C16105.8 (4)C81—P2—C71—C7665.8 (4)
Cu1—P1—C11—C1617.3 (4)C91—P2—C71—C7641.3 (4)
C21—P1—C11—C1240.1 (4)Cu2—P2—C71—C76170.6 (3)
C31—P1—C11—C1269.2 (4)C81—P2—C71—C72112.7 (4)
Cu1—P1—C11—C12167.7 (3)C91—P2—C71—C72140.3 (3)
C16—C11—C12—C133.7 (7)Cu2—P2—C71—C7211.0 (4)
P1—C11—C12—C13171.3 (4)C76—C71—C72—C731.7 (7)
C11—C12—C13—C140.5 (8)P2—C71—C72—C73176.8 (4)
C12—C13—C14—C154.3 (8)C71—C72—C73—C740.0 (7)
C12—C13—C14—C17175.4 (5)C72—C73—C74—C751.4 (7)
C13—C14—C15—C163.9 (8)C72—C73—C74—C77178.1 (5)
C17—C14—C15—C16175.8 (5)C73—C74—C75—C761.1 (7)
C12—C11—C16—C154.1 (7)C77—C74—C75—C76178.4 (4)
P1—C11—C16—C15171.2 (4)C74—C75—C76—C710.6 (7)
C14—C15—C16—C110.3 (8)C72—C71—C76—C752.0 (6)
C11—P1—C21—C2292.8 (5)P2—C71—C76—C75176.4 (3)
C31—P1—C21—C2214.9 (5)C71—P2—C81—C8225.3 (4)
Cu1—P1—C21—C22135.9 (4)C91—P2—C81—C82133.5 (4)
C11—P1—C21—C2689.6 (4)Cu2—P2—C81—C82101.2 (3)
C31—P1—C21—C26162.7 (4)C71—P2—C81—C86162.1 (3)
Cu1—P1—C21—C2641.8 (4)C91—P2—C81—C8653.9 (3)
C26—C21—C22—C231.7 (8)Cu2—P2—C81—C8671.5 (3)
P1—C21—C22—C23179.3 (5)C86—C81—C82—C831.6 (6)
C21—C22—C23—C241.1 (10)P2—C81—C82—C83174.4 (3)
C22—C23—C24—C250.6 (9)C81—C82—C83—C841.0 (7)
C22—C23—C24—C27176.7 (6)C82—C83—C84—C850.5 (7)
C23—C24—C25—C260.8 (9)C82—C83—C84—C87180.0 (5)
C27—C24—C25—C26176.5 (5)C83—C84—C85—C860.7 (7)
C22—C21—C26—C251.9 (8)C87—C84—C85—C86179.8 (5)
P1—C21—C26—C25179.7 (4)C84—C85—C86—C811.4 (7)
C24—C25—C26—C211.5 (9)C82—C81—C86—C851.8 (6)
C21—P1—C31—C32119.9 (4)P2—C81—C86—C85174.8 (3)
C11—P1—C31—C3210.3 (4)C81—P2—C91—C96150.9 (3)
Cu1—P1—C31—C32118.0 (3)C71—P2—C91—C96101.8 (3)
C21—P1—C31—C3664.4 (4)Cu2—P2—C91—C9627.9 (4)
C11—P1—C31—C36174.1 (4)C81—P2—C91—C9228.5 (4)
Cu1—P1—C31—C3657.6 (4)C71—P2—C91—C9278.8 (4)
C36—C31—C32—C331.6 (6)Cu2—P2—C91—C92151.5 (3)
P1—C31—C32—C33177.4 (3)C96—C91—C92—C931.3 (6)
C31—C32—C33—C340.4 (7)P2—C91—C92—C93179.3 (3)
C32—C33—C34—C351.1 (7)C91—C92—C93—C941.8 (7)
C32—C33—C34—C37179.7 (4)C92—C93—C94—C951.4 (7)
C33—C34—C35—C361.1 (7)C92—C93—C94—C97179.7 (4)
C37—C34—C35—C36179.7 (5)C93—C94—C95—C960.5 (7)
C34—C35—C36—C310.2 (7)C97—C94—C95—C96179.4 (4)
C32—C31—C36—C351.6 (7)C92—C91—C96—C950.4 (6)
P1—C31—C36—C35177.4 (4)P2—C91—C96—C95179.8 (3)
C61—P3—C41—C4275.8 (4)C94—C95—C96—C910.0 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C16—H16···I20.933.063.971 (5)167
Comparative geometrical data (Å, °) for compounds of the general formula [Cu2I2{PR3}3]. top
PhosphineCu1-P1 (Å)Cu2-P2 (Å)Cu2-P3 (Å)notes
PPh32.219 (3)2.259 (3)2.267 (3)(i)
P(p-tol)32.227 (3)2.276 (3)2.273 (3)TW
P(m-tol)32.2298 (7)2.2687 (7)2.2737 (7)(ii)
Notes: a: avarage value; TW: this work; (i) Eller et al., 1977; (ii) Hossain et al., 2005.
 

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