Literature DB >> 21583302

Aqua-bis(triphenyl-phosphine-κP)copper(I) tetra-fluoridoborate.

Yanfeng Dai1, Yi Zhang, Jianwen Tian, Zhen Liu.   

Abstract

In the title compound, [Cu(C(18)H(15)P)(2)(H(2)O)]BF(4), the Cu(I) atom is coordinated by two P atoms from triphenyl-phosphine ligands and one water mol-ecule in a distorted trigonal geometry. In the BF(4) (-) anion, three F atoms are disordered over two sites around the B-F bond, the site-occupancy ratio being 0.67 (6):0.33 (6). The Cu⋯F distance of 2.602 (5) Å between the Cu atom and the ordered F atom may suggest a weak but genuine inter-action. O-H⋯F and weak C-H⋯F hydrogen bonding is present in the crystal structure.

Entities:  

Year:  2009        PMID: 21583302      PMCID: PMC2977191          DOI: 10.1107/S1600536809029559

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For the applications of CuI complexes, see: Kirchhoff et al. (1985 ▶); Zhang et al. (2004 ▶); Moudam et al. (2007 ▶). For the tetra­hedral coordination geometry of CuI complexes, see: Engelhardt et al. (1985 ▶); Barron et al. (1987 ▶). For the weak Cu⋯F inter­action, see: Mao et al. (2003 ▶); Fu et al. (2004 ▶). For Cu—P and Cu—O bond distances, see: Meng et al. (2006 ▶).

Experimental

Crystal data

[Cu(C18H15P)2(H2O)]BF4 M = 692.91 Monoclinic, a = 13.9737 (14) Å b = 12.4258 (11) Å c = 19.4276 (18) Å β = 94.521 (1)° V = 3362.8 (5) Å3 Z = 4 Mo Kα radiation μ = 0.79 mm−1 T = 298 K 0.48 × 0.19 × 0.16 mm

Data collection

Bruker SMART APEXII area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.702, T max = 0.883 17192 measured reflections 5914 independent reflections 3008 reflections with I > 2σ(I) R int = 0.078

Refinement

R[F 2 > 2σ(F 2)] = 0.061 wR(F 2) = 0.202 S = 1.04 5914 reflections 434 parameters 1 restraint H-atom parameters constrained Δρmax = 0.93 e Å−3 Δρmin = −0.36 e Å−3 Data collection: APEX2 (Bruker, 2008 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL. Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809029559/xu2555sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809029559/xu2555Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Cu(C18H15P)2(H2O)]BF4F(000) = 1424
Mr = 692.91Dx = 1.369 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 2641 reflections
a = 13.9737 (14) Åθ = 2.2–21.6°
b = 12.4258 (11) ŵ = 0.79 mm1
c = 19.4276 (18) ÅT = 298 K
β = 94.521 (1)°Block, yellow
V = 3362.8 (5) Å30.48 × 0.19 × 0.16 mm
Z = 4
Bruker SMART APEXII area-detector diffractometer5914 independent reflections
Radiation source: fine-focus sealed tube3008 reflections with I > 2σ(I)
graphiteRint = 0.078
φ and ω scansθmax = 25.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −16→15
Tmin = 0.702, Tmax = 0.883k = −14→14
17192 measured reflectionsl = −23→22
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.061Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.202H-atom parameters constrained
S = 1.03w = 1/[σ2(Fo2) + (0.0646P)2 + 7.3064P] where P = (Fo2 + 2Fc2)/3
5914 reflections(Δ/σ)max = 0.001
434 parametersΔρmax = 0.93 e Å3
1 restraintΔρmin = −0.36 e Å3
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.
xyzUiso*/UeqOcc. (<1)
Cu10.36105 (6)0.80395 (7)0.13634 (4)0.0517 (3)
O10.2503 (4)0.7985 (4)0.2037 (2)0.0875 (17)
H1C0.23440.86340.21070.105*
H1D0.23140.75970.23610.105*
P10.50924 (12)0.81613 (14)0.18770 (8)0.0460 (4)
P20.29834 (12)0.72605 (14)0.03854 (8)0.0464 (4)
C10.6043 (4)0.8457 (5)0.1314 (3)0.0463 (15)
C20.5854 (5)0.9201 (6)0.0780 (3)0.0606 (19)
H20.52470.95100.07150.073*
C30.6543 (6)0.9483 (6)0.0352 (4)0.069 (2)
H30.63990.9972−0.00030.082*
C40.7436 (6)0.9051 (6)0.0442 (4)0.067 (2)
H40.79020.92420.01490.081*
C50.7649 (5)0.8330 (6)0.0971 (4)0.068 (2)
H50.82650.80440.10380.082*
C60.6956 (5)0.8025 (6)0.1404 (3)0.0583 (18)
H60.71050.75300.17560.070*
C70.5344 (5)0.9112 (5)0.2578 (3)0.0512 (17)
C80.6274 (5)0.9386 (6)0.2829 (3)0.0610 (19)
H80.67930.90410.26520.073*
C90.6440 (6)1.0154 (6)0.3332 (4)0.070 (2)
H90.70661.03370.34870.084*
C100.5692 (7)1.0643 (7)0.3602 (4)0.077 (2)
H100.58071.11510.39500.092*
C110.4772 (6)1.0403 (7)0.3370 (4)0.083 (3)
H110.42621.07530.35540.100*
C120.4599 (5)0.9630 (6)0.2857 (3)0.067 (2)
H120.39700.94620.27020.080*
C130.5397 (5)0.6851 (5)0.2224 (3)0.0527 (17)
C140.5584 (6)0.6645 (6)0.2916 (4)0.077 (2)
H140.55890.72060.32340.092*
C150.5764 (7)0.5595 (8)0.3144 (5)0.105 (3)
H150.58800.54590.36140.126*
C160.5774 (8)0.4772 (8)0.2688 (5)0.106 (3)
H160.59100.40780.28450.127*
C170.5585 (7)0.4957 (7)0.2005 (5)0.094 (3)
H170.55860.43920.16910.113*
C180.5394 (6)0.5986 (6)0.1781 (4)0.075 (2)
H180.52570.61050.13110.090*
C190.3094 (4)0.5817 (5)0.0445 (3)0.0479 (16)
C200.2846 (5)0.5319 (6)0.1046 (4)0.067 (2)
H200.27100.57380.14220.080*
C210.2797 (6)0.4224 (7)0.1093 (4)0.077 (2)
H210.26160.39080.14960.092*
C220.3010 (6)0.3593 (7)0.0560 (4)0.077 (2)
H220.29610.28490.05930.092*
C230.3296 (6)0.4054 (7)−0.0029 (4)0.081 (2)
H230.34670.3624−0.03920.097*
C240.3332 (5)0.5159 (6)−0.0084 (4)0.066 (2)
H240.35210.5466−0.04880.080*
C250.1693 (5)0.7425 (6)0.0208 (3)0.0487 (16)
C260.1270 (5)0.8370 (6)0.0406 (4)0.070 (2)
H260.16380.88910.06450.084*
C270.0280 (6)0.8544 (8)0.0245 (4)0.083 (3)
H27−0.00070.91770.03800.099*
C28−0.0256 (6)0.7771 (8)−0.0113 (4)0.079 (2)
H28−0.09040.7894−0.02350.095*
C290.0150 (5)0.6832 (7)−0.0291 (4)0.073 (2)
H29−0.02230.6302−0.05200.088*
C300.1115 (5)0.6663 (6)−0.0133 (3)0.0610 (19)
H300.13860.6016−0.02590.073*
C310.3468 (5)0.7605 (5)−0.0425 (3)0.0512 (17)
C320.4439 (5)0.7700 (6)−0.0454 (4)0.065 (2)
H320.48400.7570−0.00570.078*
C330.4846 (6)0.7984 (6)−0.1059 (4)0.074 (2)
H330.55090.8030−0.10690.089*
C340.4255 (6)0.8195 (7)−0.1639 (4)0.076 (2)
H340.45190.8389−0.20460.091*
C350.3292 (6)0.8125 (7)−0.1625 (4)0.080 (2)
H350.28960.8278−0.20210.096*
C360.2894 (5)0.7826 (6)−0.1026 (3)0.067 (2)
H360.22310.7771−0.10230.080*
B10.2480 (10)1.0703 (10)0.1638 (6)0.086 (3)
F10.3118 (4)1.0059 (4)0.1338 (2)0.0998 (15)
F20.206 (2)1.010 (2)0.2129 (18)0.108 (7)0.67 (6)
F30.3076 (17)1.150 (2)0.1979 (18)0.134 (9)0.67 (6)
F40.188 (2)1.115 (3)0.1190 (10)0.134 (10)0.67 (6)
F2'0.258 (5)1.174 (2)0.162 (3)0.138 (17)0.33 (6)
F3'0.155 (3)1.054 (5)0.123 (3)0.125 (15)0.33 (6)
F4'0.232 (5)1.050 (6)0.228 (2)0.110 (15)0.33 (6)
U11U22U33U12U13U23
Cu10.0530 (5)0.0605 (6)0.0401 (5)0.0008 (4)−0.0054 (3)−0.0045 (4)
O10.121 (4)0.076 (4)0.069 (3)−0.003 (3)0.034 (3)0.015 (3)
P10.0515 (10)0.0508 (11)0.0342 (9)0.0055 (9)−0.0063 (7)−0.0053 (8)
P20.0489 (10)0.0510 (11)0.0378 (9)0.0044 (8)−0.0063 (7)−0.0019 (8)
C10.053 (4)0.044 (4)0.040 (4)−0.001 (3)−0.005 (3)−0.009 (3)
C20.068 (5)0.055 (5)0.058 (4)0.013 (4)−0.003 (4)0.000 (4)
C30.085 (6)0.058 (5)0.062 (5)−0.002 (5)0.004 (4)0.008 (4)
C40.082 (6)0.059 (5)0.063 (5)−0.002 (4)0.016 (4)−0.004 (4)
C50.062 (5)0.075 (6)0.069 (5)0.012 (4)0.009 (4)−0.012 (4)
C60.066 (5)0.059 (5)0.050 (4)0.010 (4)0.000 (4)0.003 (3)
C70.063 (4)0.052 (4)0.037 (4)0.004 (4)−0.005 (3)−0.007 (3)
C80.067 (5)0.067 (5)0.048 (4)0.001 (4)−0.008 (3)−0.011 (4)
C90.080 (5)0.072 (6)0.056 (5)−0.007 (5)−0.010 (4)−0.012 (4)
C100.110 (7)0.069 (6)0.050 (5)−0.006 (5)0.002 (5)−0.019 (4)
C110.089 (6)0.089 (7)0.074 (6)0.004 (5)0.022 (5)−0.032 (5)
C120.070 (5)0.075 (5)0.055 (4)0.002 (4)0.002 (4)−0.020 (4)
C130.059 (4)0.055 (5)0.042 (4)−0.001 (4)−0.006 (3)−0.002 (3)
C140.108 (6)0.060 (5)0.058 (5)−0.002 (5)−0.016 (4)0.003 (4)
C150.161 (10)0.080 (7)0.068 (6)0.000 (7)−0.028 (6)0.024 (5)
C160.153 (9)0.062 (6)0.097 (8)0.014 (6)−0.023 (7)0.016 (6)
C170.136 (8)0.060 (6)0.085 (7)0.013 (6)−0.007 (6)−0.004 (5)
C180.105 (6)0.059 (5)0.059 (5)0.016 (5)−0.004 (4)0.002 (4)
C190.050 (4)0.053 (4)0.040 (4)0.006 (3)−0.001 (3)0.000 (3)
C200.088 (6)0.057 (5)0.057 (5)0.009 (4)0.014 (4)0.000 (4)
C210.099 (6)0.064 (6)0.069 (5)0.007 (5)0.016 (5)0.011 (4)
C220.096 (6)0.054 (5)0.080 (6)0.010 (5)0.002 (5)0.004 (5)
C230.107 (7)0.062 (6)0.073 (6)0.014 (5)0.013 (5)−0.010 (4)
C240.084 (5)0.060 (5)0.056 (5)0.011 (4)0.009 (4)0.001 (4)
C250.052 (4)0.054 (4)0.040 (4)0.013 (3)0.002 (3)0.004 (3)
C260.070 (5)0.066 (5)0.072 (5)0.013 (4)−0.001 (4)0.000 (4)
C270.077 (6)0.082 (6)0.091 (6)0.035 (5)0.014 (5)0.012 (5)
C280.060 (5)0.106 (8)0.071 (6)0.017 (5)−0.004 (4)0.009 (5)
C290.052 (4)0.102 (7)0.063 (5)0.002 (5)−0.007 (4)−0.007 (5)
C300.054 (4)0.074 (5)0.053 (4)0.009 (4)−0.006 (3)−0.007 (4)
C310.057 (4)0.054 (4)0.042 (4)0.000 (3)−0.002 (3)0.002 (3)
C320.063 (5)0.075 (5)0.056 (5)0.003 (4)0.002 (4)0.009 (4)
C330.067 (5)0.081 (6)0.075 (5)0.004 (4)0.019 (4)0.013 (5)
C340.091 (6)0.081 (6)0.058 (5)−0.002 (5)0.018 (5)0.008 (4)
C350.088 (6)0.099 (7)0.051 (5)−0.011 (5)−0.005 (4)0.018 (4)
C360.063 (5)0.086 (6)0.050 (4)−0.009 (4)−0.001 (4)0.012 (4)
B10.123 (10)0.058 (8)0.075 (8)0.007 (8)0.003 (8)0.002 (6)
F10.111 (4)0.107 (4)0.085 (3)0.013 (3)0.026 (3)0.007 (3)
F20.131 (14)0.094 (13)0.108 (16)0.015 (9)0.058 (12)0.023 (9)
F30.134 (12)0.113 (11)0.151 (18)−0.001 (10)−0.009 (11)−0.046 (11)
F40.139 (14)0.14 (2)0.119 (9)0.048 (15)−0.014 (9)0.047 (13)
F2'0.18 (4)0.097 (19)0.14 (3)−0.014 (19)−0.01 (3)0.015 (17)
F3'0.14 (2)0.10 (3)0.13 (2)0.02 (2)−0.016 (18)−0.024 (19)
F4'0.15 (3)0.12 (4)0.060 (15)0.02 (3)0.013 (16)0.013 (18)
Cu1—O12.105 (5)C17—H170.9300
Cu1—P12.2318 (18)C18—H180.9300
Cu1—P22.2478 (18)C19—C241.375 (9)
O1—H1C0.8500C19—C201.389 (9)
O1—H1D0.8500C20—C211.366 (10)
P1—C131.800 (7)C20—H200.9300
P1—C71.816 (6)C21—C221.349 (10)
P1—C11.823 (6)C21—H210.9300
P2—C191.803 (7)C22—C231.368 (10)
P2—C311.814 (6)C22—H220.9300
P2—C251.820 (6)C23—C241.377 (10)
C1—C61.383 (8)C23—H230.9300
C1—C21.400 (9)C24—H240.9300
C2—C31.366 (9)C25—C301.380 (9)
C2—H20.9300C25—C261.382 (9)
C3—C41.357 (10)C26—C271.410 (10)
C3—H30.9300C26—H260.9300
C4—C51.378 (10)C27—C281.373 (11)
C4—H40.9300C27—H270.9300
C5—C61.385 (9)C28—C291.355 (11)
C5—H50.9300C28—H280.9300
C6—H60.9300C29—C301.375 (9)
C7—C121.373 (9)C29—H290.9300
C7—C81.394 (9)C30—H300.9300
C8—C91.374 (9)C31—C321.367 (9)
C8—H80.9300C31—C361.390 (9)
C9—C101.350 (10)C32—C331.391 (9)
C9—H90.9300C32—H320.9300
C10—C111.362 (10)C33—C341.369 (10)
C10—H100.9300C33—H330.9300
C11—C121.391 (10)C34—C351.351 (10)
C11—H110.9300C34—H340.9300
C12—H120.9300C35—C361.381 (9)
C13—C141.374 (9)C35—H350.9300
C13—C181.377 (9)C36—H360.9300
C14—C151.393 (11)B1—F41.285 (19)
C14—H140.9300B1—F2'1.30 (3)
C15—C161.354 (12)B1—F4'1.31 (5)
C15—H150.9300B1—F11.363 (12)
C16—C171.352 (11)B1—F21.38 (3)
C16—H160.9300B1—F31.42 (2)
C17—C181.370 (10)B1—F3'1.48 (4)
O1—Cu1—P1115.18 (16)C17—C18—C13122.6 (7)
O1—Cu1—P2104.80 (16)C17—C18—H18118.7
P1—Cu1—P2133.89 (7)C13—C18—H18118.7
Cu1—O1—H1C106.5C24—C19—C20117.0 (7)
Cu1—O1—H1D139.8C24—C19—P2124.6 (5)
H1C—O1—H1D108.6C20—C19—P2118.1 (5)
C13—P1—C7106.4 (3)C21—C20—C19121.1 (7)
C13—P1—C1104.2 (3)C21—C20—H20119.4
C7—P1—C1102.2 (3)C19—C20—H20119.4
C13—P1—Cu1106.8 (2)C22—C21—C20120.8 (8)
C7—P1—Cu1119.8 (2)C22—C21—H21119.6
C1—P1—Cu1116.1 (2)C20—C21—H21119.6
C19—P2—C31104.8 (3)C21—C22—C23119.7 (8)
C19—P2—C25101.7 (3)C21—C22—H22120.2
C31—P2—C25103.9 (3)C23—C22—H22120.2
C19—P2—Cu1110.4 (2)C22—C23—C24119.8 (8)
C31—P2—Cu1119.0 (2)C22—C23—H23120.1
C25—P2—Cu1115.2 (2)C24—C23—H23120.1
C6—C1—C2118.0 (6)C19—C24—C23121.5 (7)
C6—C1—P1123.7 (5)C19—C24—H24119.2
C2—C1—P1118.3 (5)C23—C24—H24119.2
C3—C2—C1121.3 (7)C30—C25—C26118.0 (6)
C3—C2—H2119.4C30—C25—P2123.2 (5)
C1—C2—H2119.4C26—C25—P2118.8 (6)
C4—C3—C2120.3 (7)C25—C26—C27120.2 (8)
C4—C3—H3119.8C25—C26—H26119.9
C2—C3—H3119.8C27—C26—H26119.9
C3—C4—C5119.8 (7)C28—C27—C26119.4 (8)
C3—C4—H4120.1C28—C27—H27120.3
C5—C4—H4120.1C26—C27—H27120.3
C4—C5—C6120.7 (7)C29—C28—C27120.6 (8)
C4—C5—H5119.7C29—C28—H28119.7
C6—C5—H5119.7C27—C28—H28119.7
C1—C6—C5119.9 (6)C28—C29—C30119.8 (8)
C1—C6—H6120.0C28—C29—H29120.1
C5—C6—H6120.0C30—C29—H29120.1
C12—C7—C8117.6 (6)C29—C30—C25121.9 (7)
C12—C7—P1119.6 (5)C29—C30—H30119.0
C8—C7—P1122.8 (5)C25—C30—H30119.0
C9—C8—C7121.3 (7)C32—C31—C36117.2 (6)
C9—C8—H8119.4C32—C31—P2119.7 (5)
C7—C8—H8119.4C36—C31—P2123.0 (5)
C10—C9—C8119.8 (7)C31—C32—C33122.0 (7)
C10—C9—H9120.1C31—C32—H32119.0
C8—C9—H9120.1C33—C32—H32119.0
C9—C10—C11120.9 (7)C34—C33—C32118.9 (7)
C9—C10—H10119.6C34—C33—H33120.5
C11—C10—H10119.6C32—C33—H33120.5
C10—C11—C12119.6 (7)C35—C34—C33120.6 (7)
C10—C11—H11120.2C35—C34—H34119.7
C12—C11—H11120.2C33—C34—H34119.7
C7—C12—C11120.8 (7)C34—C35—C36120.1 (7)
C7—C12—H12119.6C34—C35—H35120.0
C11—C12—H12119.6C36—C35—H35120.0
C14—C13—C18117.2 (7)C35—C36—C31121.2 (7)
C14—C13—P1123.8 (6)C35—C36—H36119.4
C18—C13—P1118.9 (5)C31—C36—H36119.4
C13—C14—C15120.0 (8)F4—B1—F1112.3 (13)
C13—C14—H14120.0F4—B1—F2114.1 (18)
C15—C14—H14120.0F1—B1—F2107.7 (14)
C16—C15—C14120.7 (8)F4—B1—F3110.3 (14)
C16—C15—H15119.6F1—B1—F3103.1 (12)
C14—C15—H15119.6F2—B1—F3108.8 (13)
C17—C16—C15120.2 (9)F2'—B1—F4'104 (3)
C17—C16—H16119.9F2'—B1—F3'103 (2)
C15—C16—H16119.9F4'—B1—F3'106 (3)
C16—C17—C18119.2 (8)F1—B1—F3'105.6 (16)
C16—C17—H17120.4F2'—B1—F1120 (2)
C18—C17—H17120.4F4'—B1—F1117 (3)
O1—Cu1—P1—C1375.2 (3)C13—C14—C15—C161.1 (15)
P2—Cu1—P1—C13−72.4 (2)C14—C15—C16—C17−1.5 (17)
O1—Cu1—P1—C7−45.7 (3)C15—C16—C17—C180.6 (17)
P2—Cu1—P1—C7166.8 (2)C16—C17—C18—C130.8 (15)
O1—Cu1—P1—C1−169.2 (3)C14—C13—C18—C17−1.3 (12)
P2—Cu1—P1—C143.3 (3)P1—C13—C18—C17−177.8 (7)
O1—Cu1—P2—C19−83.8 (3)C31—P2—C19—C24−10.6 (7)
P1—Cu1—P2—C1966.0 (2)C25—P2—C19—C2497.4 (6)
O1—Cu1—P2—C31155.1 (3)Cu1—P2—C19—C24−139.8 (5)
P1—Cu1—P2—C31−55.1 (3)C31—P2—C19—C20175.1 (5)
O1—Cu1—P2—C2530.6 (3)C25—P2—C19—C20−76.9 (6)
P1—Cu1—P2—C25−179.5 (2)Cu1—P2—C19—C2045.8 (6)
C13—P1—C1—C6−26.4 (6)C24—C19—C20—C21−3.0 (11)
C7—P1—C1—C684.2 (6)P2—C19—C20—C21171.7 (6)
Cu1—P1—C1—C6−143.5 (5)C19—C20—C21—C221.4 (13)
C13—P1—C1—C2156.7 (5)C20—C21—C22—C231.4 (13)
C7—P1—C1—C2−92.7 (5)C21—C22—C23—C24−2.4 (13)
Cu1—P1—C1—C239.6 (6)C20—C19—C24—C232.0 (11)
C6—C1—C2—C31.0 (10)P2—C19—C24—C23−172.4 (6)
P1—C1—C2—C3178.1 (6)C22—C23—C24—C190.7 (12)
C1—C2—C3—C4−0.8 (11)C19—P2—C25—C30−28.7 (6)
C2—C3—C4—C5−0.3 (12)C31—P2—C25—C3080.0 (6)
C3—C4—C5—C61.1 (11)Cu1—P2—C25—C30−148.0 (5)
C2—C1—C6—C5−0.2 (10)C19—P2—C25—C26153.1 (5)
P1—C1—C6—C5−177.1 (5)C31—P2—C25—C26−98.3 (6)
C4—C5—C6—C1−0.8 (11)Cu1—P2—C25—C2633.7 (6)
C13—P1—C7—C12−111.1 (6)C30—C25—C26—C27−1.5 (10)
C1—P1—C7—C12139.9 (6)P2—C25—C26—C27176.8 (6)
Cu1—P1—C7—C1210.0 (7)C25—C26—C27—C28−0.4 (12)
C13—P1—C7—C872.0 (6)C26—C27—C28—C292.3 (13)
C1—P1—C7—C8−37.0 (6)C27—C28—C29—C30−2.2 (12)
Cu1—P1—C7—C8−166.9 (5)C28—C29—C30—C250.2 (11)
C12—C7—C8—C9−0.7 (10)C26—C25—C30—C291.6 (10)
P1—C7—C8—C9176.2 (6)P2—C25—C30—C29−176.6 (5)
C7—C8—C9—C101.3 (11)C19—P2—C31—C32−81.9 (6)
C8—C9—C10—C11−1.5 (13)C25—P2—C31—C32171.8 (6)
C9—C10—C11—C121.1 (13)Cu1—P2—C31—C3242.0 (7)
C8—C7—C12—C110.3 (11)C19—P2—C31—C36100.8 (6)
P1—C7—C12—C11−176.7 (6)C25—P2—C31—C36−5.5 (7)
C10—C11—C12—C7−0.5 (13)Cu1—P2—C31—C36−135.3 (6)
C7—P1—C13—C1412.0 (7)C36—C31—C32—C33−1.2 (11)
C1—P1—C13—C14119.6 (6)P2—C31—C32—C33−178.7 (6)
Cu1—P1—C13—C14−117.1 (6)C31—C32—C33—C341.3 (12)
C7—P1—C13—C18−171.7 (6)C32—C33—C34—C35−0.3 (13)
C1—P1—C13—C18−64.2 (6)C33—C34—C35—C36−0.7 (13)
Cu1—P1—C13—C1859.2 (6)C34—C35—C36—C310.8 (13)
C18—C13—C14—C150.3 (12)C32—C31—C36—C350.1 (11)
P1—C13—C14—C15176.6 (7)P2—C31—C36—C35177.5 (6)
D—H···AD—HH···AD···AD—H···A
O1—H1C···F20.851.872.71 (3)171
O1—H1D···F3i0.851.982.82 (3)171
C28—H28···F4ii0.932.513.25 (3)137
Table 1

Selected bond lengths (Å)

Cu1—O12.105 (5)
Cu1—P12.2318 (18)
Cu1—P22.2478 (18)
Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
O1—H1C⋯F20.851.872.71 (3)171
O1—H1D⋯F3i0.851.982.82 (3)171
C28—H28⋯F4ii0.932.513.25 (3)137

Symmetry codes: (i) ; (ii) .

  4 in total

1.  Extended calix[4]arene analogues by two P-CuI-P bridges and anion encapsulation.

Authors:  Xiang-Tai Meng; Qing-Shan Li; Feng-Bo Xu; Hai-Bin Song; Christopher E Anson; Zheng-Zhi Zhang
Journal:  Inorg Chem       Date:  2006-10-02       Impact factor: 5.165

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  Cuprophilic interactions in luminescent copper(I) clusters with bridging bis(dicyclohexylphosphino)methane and iodide ligands: spectroscopic and structural investigations.

Authors:  Wen-Fu Fu; Xin Gan; Chi-Ming Che; Qian-Yong Cao; Zhong-Yong Zhou; N Nian-Yong Zhu
Journal:  Chemistry       Date:  2004-05-03       Impact factor: 5.236

4.  Electrophosphorescent homo- and heteroleptic copper(I) complexes prepared from various bis-phosphine ligands.

Authors:  Omar Moudam; Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Michel Holler; Gianluca Accorsi; Nicola Armaroli; Isabelle Séguy; Jose Navarro; Pierre Destruel; Jean-François Nierengarten
Journal:  Chem Commun (Camb)       Date:  2007-06-26       Impact factor: 6.222

  4 in total

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