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In the centrosymmetric title compound, [Au2(C25H22P2)2](ClO4)2, the AuI ion adopts a linear geometry with a weak intra-cation Au...Au inter­action, characterized by a metal–metal separation of 2.9258 (9) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806038542/bh2047sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806038542/bh2047Isup2.hkl
Contains datablock I

CCDC reference: 623991

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.011 Å
  • R factor = 0.038
  • wR factor = 0.079
  • Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.92 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C11 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11
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 0 ALERT level B = Potentially serious problem 6 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 4 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 (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

(I) top
Crystal data top
[Au2(C25H22P2)2](ClO4)2F(000) = 1320
Mr = 1361.56Dx = 1.822 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 963 reflections
a = 10.569 (4) Åθ = 3.4–26.3°
b = 17.648 (6) ŵ = 6.19 mm1
c = 13.797 (5) ÅT = 293 K
β = 105.287 (5)°Block, colourless
V = 2482.3 (15) Å30.28 × 0.20 × 0.14 mm
Z = 2
Data collection top
Bruker SMART APEX-II CCD area-detector
diffractometer
5069 independent reflections
Radiation source: fine-focus sealed tube3681 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.056
φ and ω scansθmax = 26.4°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1311
Tmin = 0.225, Tmax = 0.420k = 1022
13943 measured reflectionsl = 1717
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)] = 0.038Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.079H-atom parameters constrained
S = 0.95 w = 1/[σ2(Fo2) + (0.0322P)2]
where P = (Fo2 + 2Fc2)/3
5069 reflections(Δ/σ)max = 0.001
298 parametersΔρmax = 1.56 e Å3
24 restraintsΔρmin = 1.23 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Au10.381797 (18)0.491529 (13)0.535251 (15)0.03472 (9)
P10.49059 (13)0.41547 (9)0.66767 (10)0.0326 (3)
P20.73575 (13)0.43238 (9)0.59365 (10)0.0316 (3)
C10.3882 (5)0.3423 (4)0.6988 (4)0.0378 (14)
C20.2929 (6)0.3651 (5)0.7464 (5)0.062 (2)
H20.28640.41570.76320.075*
C30.2088 (7)0.3120 (5)0.7681 (6)0.071 (2)
H30.14750.32690.80200.085*
C40.2138 (7)0.2381 (5)0.7409 (6)0.072 (2)
H40.15450.20330.75440.087*
C50.3064 (7)0.2148 (5)0.6936 (6)0.076 (2)
H50.31160.16430.67610.092*
C60.3912 (6)0.2676 (4)0.6728 (5)0.0582 (19)
H60.45290.25190.63980.070*
C70.5522 (5)0.4672 (4)0.7834 (4)0.0413 (15)
C80.6168 (6)0.4303 (4)0.8707 (5)0.0578 (19)
H80.62940.37820.87030.069*
C90.6628 (8)0.4713 (6)0.9590 (5)0.077 (2)
H90.70570.44641.01790.093*
C100.6451 (8)0.5480 (6)0.9594 (6)0.085 (3)
H100.67630.57501.01880.102*
C110.5824 (9)0.5853 (6)0.8739 (7)0.098 (3)
H110.57140.63760.87460.117*
C120.5350 (8)0.5445 (5)0.7857 (5)0.070 (2)
H120.49120.56970.72730.084*
C130.6312 (5)0.3677 (3)0.6410 (4)0.0342 (13)
H13A0.68290.34390.70200.041*
H13B0.59980.32820.59170.041*
C140.8303 (5)0.4850 (3)0.7005 (4)0.0356 (13)
C150.9178 (6)0.4482 (4)0.7795 (4)0.0468 (16)
H150.92970.39610.77720.056*
C160.9870 (7)0.4894 (5)0.8614 (5)0.065 (2)
H161.04610.46470.91390.078*
C170.9700 (7)0.5653 (5)0.8665 (6)0.073 (2)
H171.01750.59250.92200.087*
C180.8821 (8)0.6019 (5)0.7893 (6)0.081 (3)
H180.86920.65380.79320.098*
C190.8130 (6)0.5621 (4)0.7062 (5)0.0590 (19)
H190.75460.58740.65380.071*
C200.8534 (5)0.3739 (3)0.5529 (4)0.0333 (13)
C210.8324 (6)0.3019 (4)0.5222 (5)0.0578 (19)
H210.75600.27740.52630.069*
C220.9242 (7)0.2632 (4)0.4842 (6)0.067 (2)
H220.90820.21320.46350.081*
C231.0336 (7)0.2965 (5)0.4771 (5)0.062 (2)
H231.09170.27100.44850.074*
C241.0600 (7)0.3675 (6)0.5117 (6)0.078 (3)
H241.13930.38990.51050.093*
C250.9702 (7)0.4079 (5)0.5492 (6)0.071 (2)
H250.98850.45740.57170.086*
Cl10.41267 (16)0.25816 (11)0.39094 (13)0.0538 (4)
O10.4043 (7)0.2524 (4)0.2890 (4)0.127 (3)
O20.5068 (6)0.2081 (3)0.4466 (4)0.0980 (19)
O30.4355 (9)0.3289 (4)0.4279 (5)0.195 (5)
O40.2931 (7)0.2368 (7)0.3976 (8)0.213 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.02736 (11)0.04131 (16)0.03546 (12)0.00307 (12)0.00825 (8)0.00791 (12)
P10.0308 (7)0.0349 (9)0.0330 (7)0.0038 (7)0.0098 (6)0.0041 (7)
P20.0265 (7)0.0336 (9)0.0334 (7)0.0003 (7)0.0057 (6)0.0028 (7)
C10.032 (3)0.041 (4)0.041 (3)0.002 (3)0.010 (2)0.005 (3)
C20.057 (4)0.063 (5)0.076 (5)0.006 (4)0.034 (4)0.006 (4)
C30.053 (4)0.081 (7)0.092 (6)0.004 (5)0.045 (4)0.004 (5)
C40.060 (5)0.081 (7)0.081 (6)0.023 (5)0.028 (4)0.010 (5)
C50.080 (5)0.059 (6)0.100 (6)0.017 (5)0.041 (5)0.004 (5)
C60.054 (4)0.057 (5)0.075 (5)0.004 (4)0.038 (4)0.002 (4)
C70.038 (3)0.050 (4)0.039 (3)0.002 (3)0.015 (3)0.000 (3)
C80.056 (4)0.061 (5)0.051 (4)0.012 (4)0.006 (3)0.004 (4)
C90.068 (5)0.110 (8)0.043 (4)0.007 (5)0.002 (3)0.004 (5)
C100.088 (6)0.103 (8)0.056 (5)0.006 (6)0.003 (4)0.025 (6)
C110.133 (8)0.077 (7)0.075 (6)0.004 (6)0.014 (6)0.035 (5)
C120.092 (6)0.062 (5)0.050 (4)0.005 (5)0.007 (4)0.009 (4)
C130.034 (3)0.031 (3)0.037 (3)0.000 (3)0.008 (2)0.004 (3)
C140.025 (2)0.042 (4)0.038 (3)0.007 (3)0.004 (2)0.001 (3)
C150.048 (3)0.042 (4)0.047 (4)0.004 (3)0.004 (3)0.004 (3)
C160.056 (4)0.085 (7)0.045 (4)0.012 (5)0.002 (3)0.002 (4)
C170.072 (5)0.077 (7)0.060 (5)0.025 (5)0.001 (4)0.021 (5)
C180.082 (6)0.048 (5)0.106 (7)0.008 (5)0.011 (5)0.030 (5)
C190.059 (4)0.042 (4)0.065 (5)0.001 (4)0.002 (3)0.007 (4)
C200.032 (3)0.030 (4)0.039 (3)0.001 (3)0.010 (2)0.003 (3)
C210.048 (4)0.061 (5)0.073 (5)0.007 (4)0.030 (3)0.007 (4)
C220.075 (5)0.050 (5)0.086 (5)0.001 (4)0.036 (4)0.016 (4)
C230.047 (4)0.079 (6)0.063 (5)0.010 (4)0.020 (3)0.013 (4)
C240.049 (4)0.100 (8)0.098 (6)0.004 (5)0.046 (4)0.008 (6)
C250.067 (5)0.059 (5)0.104 (6)0.006 (4)0.050 (5)0.006 (5)
Cl10.0492 (9)0.0543 (12)0.0564 (10)0.0056 (9)0.0113 (8)0.0094 (9)
O10.181 (7)0.124 (6)0.068 (4)0.035 (5)0.019 (4)0.006 (4)
O20.115 (5)0.074 (4)0.092 (4)0.037 (4)0.005 (3)0.014 (4)
O30.297 (11)0.048 (4)0.137 (6)0.031 (6)0.124 (7)0.029 (4)
O40.097 (5)0.302 (14)0.275 (11)0.045 (7)0.112 (7)0.033 (10)
Geometric parameters (Å, º) top
Au1—P2i2.3118 (15)C11—H110.9300
Au1—P12.3138 (15)C12—H120.9300
Au1—Au1i2.9258 (9)C13—H13A0.9700
P1—C71.805 (6)C13—H13B0.9700
P1—C11.807 (6)C14—C191.378 (9)
P1—C131.829 (5)C14—C151.392 (8)
P2—C141.805 (6)C15—C161.379 (9)
P2—C201.815 (6)C15—H150.9300
P2—C131.825 (5)C16—C171.355 (10)
P2—Au1i2.3118 (15)C16—H160.9300
C1—C61.370 (9)C17—C181.377 (10)
C1—C21.399 (8)C17—H170.9300
C2—C31.379 (9)C18—C191.378 (9)
C2—H20.9300C18—H180.9300
C3—C41.362 (11)C19—H190.9300
C3—H30.9300C20—C211.339 (9)
C4—C51.374 (10)C20—C251.387 (8)
C4—H40.9300C21—C221.397 (9)
C5—C61.375 (9)C21—H210.9300
C5—H50.9300C22—C231.323 (10)
C6—H60.9300C22—H220.9300
C7—C121.376 (10)C23—C241.343 (11)
C7—C81.381 (8)C23—H230.9300
C8—C91.390 (10)C24—C251.392 (10)
C8—H80.9300C24—H240.9300
C9—C101.367 (14)C25—H250.9300
C9—H90.9300Cl1—O41.345 (6)
C10—C111.361 (11)Cl1—O31.346 (6)
C10—H100.9300Cl1—O11.389 (6)
C11—C121.390 (10)Cl1—O21.399 (5)
P2i—Au1—P1177.14 (5)C11—C12—H12119.5
P2i—Au1—Au1i91.02 (4)P2—C13—P1112.6 (3)
P1—Au1—Au1i91.81 (4)P2—C13—H13A109.1
C7—P1—C1104.5 (3)P1—C13—H13A109.1
C7—P1—C13106.8 (3)P2—C13—H13B109.1
C1—P1—C13106.7 (3)P1—C13—H13B109.1
C7—P1—Au1113.1 (2)H13A—C13—H13B107.8
C1—P1—Au1113.44 (18)C19—C14—C15119.2 (5)
C13—P1—Au1111.69 (18)C19—C14—P2120.1 (4)
C14—P2—C20105.6 (3)C15—C14—P2120.7 (5)
C14—P2—C13106.7 (3)C16—C15—C14119.7 (6)
C20—P2—C13106.5 (3)C16—C15—H15120.2
C14—P2—Au1i113.5 (2)C14—C15—H15120.2
C20—P2—Au1i111.43 (18)C17—C16—C15121.0 (7)
C13—P2—Au1i112.67 (17)C17—C16—H16119.5
C6—C1—C2117.9 (6)C15—C16—H16119.5
C6—C1—P1124.7 (5)C16—C17—C18119.7 (7)
C2—C1—P1117.2 (5)C16—C17—H17120.2
C3—C2—C1119.5 (7)C18—C17—H17120.2
C3—C2—H2120.2C17—C18—C19120.4 (8)
C1—C2—H2120.2C17—C18—H18119.8
C4—C3—C2121.1 (7)C19—C18—H18119.8
C4—C3—H3119.5C18—C19—C14120.1 (7)
C2—C3—H3119.5C18—C19—H19120.0
C3—C4—C5120.1 (8)C14—C19—H19120.0
C3—C4—H4119.9C21—C20—C25118.3 (6)
C5—C4—H4119.9C21—C20—P2124.6 (5)
C4—C5—C6118.8 (8)C25—C20—P2117.0 (5)
C4—C5—H5120.6C20—C21—C22120.6 (6)
C6—C5—H5120.6C20—C21—H21119.7
C1—C6—C5122.4 (6)C22—C21—H21119.7
C1—C6—H6118.8C23—C22—C21121.2 (7)
C5—C6—H6118.8C23—C22—H22119.4
C12—C7—C8119.0 (6)C21—C22—H22119.4
C12—C7—P1120.2 (5)C22—C23—C24119.5 (7)
C8—C7—P1120.8 (6)C22—C23—H23120.3
C7—C8—C9119.8 (8)C24—C23—H23120.3
C7—C8—H8120.1C23—C24—C25120.8 (7)
C9—C8—H8120.1C23—C24—H24119.6
C10—C9—C8120.2 (8)C25—C24—H24119.6
C10—C9—H9119.9C20—C25—C24119.5 (7)
C8—C9—H9119.9C20—C25—H25120.2
C11—C10—C9120.7 (8)C24—C25—H25120.2
C11—C10—H10119.6O4—Cl1—O3108.2 (7)
C9—C10—H10119.6O4—Cl1—O1103.8 (5)
C10—C11—C12119.3 (9)O3—Cl1—O1114.1 (5)
C10—C11—H11120.3O4—Cl1—O2109.3 (6)
C12—C11—H11120.3O3—Cl1—O2110.3 (4)
C7—C12—C11120.9 (7)O1—Cl1—O2110.8 (4)
C7—C12—H12119.5
Au1i—Au1—P1—C795.6 (2)Au1i—P2—C13—P148.7 (3)
Au1i—Au1—P1—C1145.6 (2)C7—P1—C13—P275.5 (4)
Au1i—Au1—P1—C1324.9 (2)C1—P1—C13—P2173.2 (3)
C7—P1—C1—C6133.6 (6)Au1—P1—C13—P248.7 (3)
C13—P1—C1—C620.7 (6)C20—P2—C14—C19131.9 (5)
Au1—P1—C1—C6102.8 (5)C13—P2—C14—C19115.1 (5)
C7—P1—C1—C251.3 (5)Au1i—P2—C14—C199.6 (6)
C13—P1—C1—C2164.2 (5)C20—P2—C14—C1550.4 (5)
Au1—P1—C1—C272.4 (5)C13—P2—C14—C1562.6 (5)
C6—C1—C2—C32.0 (10)Au1i—P2—C14—C15172.7 (4)
P1—C1—C2—C3177.4 (5)C19—C14—C15—C160.9 (9)
C1—C2—C3—C42.3 (12)P2—C14—C15—C16178.6 (5)
C2—C3—C4—C52.0 (13)C14—C15—C16—C170.6 (11)
C3—C4—C5—C61.3 (12)C15—C16—C17—C180.3 (12)
C2—C1—C6—C51.3 (10)C16—C17—C18—C191.1 (12)
P1—C1—C6—C5176.4 (6)C17—C18—C19—C140.8 (12)
C4—C5—C6—C11.0 (12)C15—C14—C19—C180.1 (10)
C1—P1—C7—C12125.5 (6)P2—C14—C19—C18177.9 (6)
C13—P1—C7—C12121.7 (5)C14—P2—C20—C21139.6 (6)
Au1—P1—C7—C121.6 (6)C13—P2—C20—C2126.5 (6)
C1—P1—C7—C854.5 (5)Au1i—P2—C20—C2196.7 (6)
C13—P1—C7—C858.4 (5)C14—P2—C20—C2543.6 (6)
Au1—P1—C7—C8178.4 (4)C13—P2—C20—C25156.7 (5)
C12—C7—C8—C90.3 (10)Au1i—P2—C20—C2580.1 (5)
P1—C7—C8—C9179.7 (5)C25—C20—C21—C222.2 (10)
C7—C8—C9—C100.5 (11)P2—C20—C21—C22174.6 (5)
C8—C9—C10—C110.1 (13)C20—C21—C22—C230.3 (12)
C9—C10—C11—C120.6 (14)C21—C22—C23—C243.3 (13)
C8—C7—C12—C110.4 (11)C22—C23—C24—C253.9 (13)
P1—C7—C12—C11179.7 (6)C21—C20—C25—C241.6 (11)
C10—C11—C12—C70.8 (13)P2—C20—C25—C24175.4 (6)
C14—P2—C13—P176.4 (3)C23—C24—C25—C201.4 (13)
C20—P2—C13—P1171.2 (3)
Symmetry code: (i) x+1, y+1, z+1.
 

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