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The title compound, [Au2Fe(C38H37NP2)(SCN)2], is a dinuclear gold(I) complex containing an unsymmetrical bidentate ferrocen­yl–phosphine ligand. Selected geometrical parameters for the compound are Au—P = 2.265 (2) and 2.260 (3) Å, Au—S = 2.327 (3) and 2.313 (3) Å, and P—Au—S = 175.61 (9) and 176.86 (9)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806024354/xu2066sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806024354/xu2066Isup2.hkl
Contains datablock I

CCDC reference: 613866

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.016 Å
  • R factor = 0.058
  • wR factor = 0.158
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.103 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.10 PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.50 Ratio PLAT220_ALERT_2_C Large Non-Solvent N Ueq(max)/Ueq(min) ... 2.68 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 16
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 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 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART-NT (Bruker, 1998); 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 & Berndt, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

{µ-2-[1-(N,N-Dimethylamino)ethyl]ferrocene-1,1'-diylbis(diphenylphosphine)- κ2P:P'}bis[thiocyanatogold(I)] top
Crystal data top
[Au2Fe(C38H37NP2)(NCS)2]Z = 2
Mr = 1135.57F(000) = 1088
Triclinic, P1Dx = 1.955 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71069 Å
a = 9.021 (5) ÅCell parameters from 1018 reflections
b = 13.397 (5) Åθ = 2.8–25.0°
c = 16.684 (5) ŵ = 8.18 mm1
α = 89.956 (5)°T = 293 K
β = 82.946 (5)°Needle, orange
γ = 74.740 (5)°0.37 × 0.14 × 0.08 mm
V = 1929.5 (14) Å3
Data collection top
Bruker SMART 1K CCD
diffractometer
6743 independent reflections
Radiation source: fine-focus sealed tube5497 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.103
ω scansθmax = 25.0°, θmin = 1.2°
Absorption correction: multi-scan
(SADABS; Bruker, 1998)
h = 1010
Tmin = 0.260, Tmax = 0.519k = 159
10576 measured reflectionsl = 1819
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)] = 0.058Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.158H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.1108P)2]
where P = (Fo2 + 2Fc2)/3
6743 reflections(Δ/σ)max = 0.001
421 parametersΔρmax = 3.11 e Å3
0 restraintsΔρmin = 3.23 e Å3
Special details top

Experimental. The intensity data were collected on a Bruker SMART CCD 1 K diffractometer using an exposure time of 10 s/frame. A total of 512 frames were collected with a frame width of 0.3° covering up to θ = 25° with 99.3% completeness accomplished. The first 50 frames were recollected at the end of the data collection to check for decay; none was found.

1H NMR (CDCl3, 300 MHz): 0.81 (d), 1.53 (s), 3.84–4.97 (m), 7.34–7.75 (m); 31P{1H} NMR (CDCl3, 121.5 MHz): 31.53 (s), 32.94 (s); IR (KBr, ν (SCN), cm-1): 2117(s).

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
Au10.57622 (4)0.43166 (3)0.34232 (2)0.03540 (15)
Au20.09847 (4)0.88294 (3)0.14743 (2)0.04004 (15)
P10.4442 (3)0.38373 (17)0.24873 (14)0.0295 (5)
P20.0149 (3)0.88233 (18)0.26104 (15)0.0357 (5)
S10.7079 (4)0.4934 (3)0.43422 (18)0.0550 (7)
S20.2204 (4)0.8932 (2)0.03239 (19)0.0595 (8)
N10.5661 (17)0.7065 (11)0.4167 (9)0.102 (5)
N20.1186 (15)0.6939 (10)0.0395 (7)0.081 (4)
N30.6680 (8)0.5041 (6)0.1559 (5)0.0377 (18)
Fe0.18448 (13)0.62004 (9)0.24569 (7)0.0286 (3)
C10.6238 (15)0.6193 (11)0.4229 (8)0.064 (3)
C110.5637 (10)0.2922 (6)0.1716 (6)0.033 (2)
C120.7195 (11)0.2511 (8)0.1806 (6)0.044 (2)
H120.75920.26990.22540.053*
C130.8160 (13)0.1810 (9)0.1217 (7)0.056 (3)
H130.91980.15330.12780.068*
C140.7601 (14)0.1535 (8)0.0562 (7)0.055 (3)
H140.82510.10620.01810.066*
C150.6067 (14)0.1949 (9)0.0454 (7)0.055 (3)
H150.56910.17580.00010.065*
C160.5089 (12)0.2652 (8)0.1025 (6)0.043 (2)
H160.40640.29440.09460.052*
C20.1590 (13)0.7724 (9)0.0069 (7)0.053 (3)
C210.2960 (10)0.3246 (7)0.2968 (6)0.036 (2)
C220.2123 (13)0.2742 (8)0.2546 (7)0.051 (3)
H220.23390.26660.19860.061*
C230.0957 (14)0.2346 (10)0.2951 (9)0.066 (3)
H230.0390.20220.2660.079*
C240.0661 (15)0.2435 (10)0.3758 (9)0.068 (3)
H240.00960.2160.40290.081*
C250.1484 (16)0.2938 (11)0.4184 (8)0.067 (3)
H250.12550.30180.47430.081*
C260.2633 (13)0.3319 (9)0.3793 (6)0.051 (3)
H260.320.36330.40920.061*
C310.3424 (10)0.4917 (7)0.1951 (5)0.0317 (19)
C320.1971 (9)0.5045 (7)0.1650 (5)0.0321 (19)
H320.13660.45780.17040.039*
C330.1607 (10)0.5986 (7)0.1262 (5)0.034 (2)
H330.0730.62480.10080.041*
C340.2803 (10)0.6472 (7)0.1322 (5)0.0308 (19)
H340.28460.7110.11160.037*
C350.3927 (10)0.5821 (6)0.1750 (5)0.0278 (17)
C360.5484 (10)0.5976 (7)0.1899 (6)0.035 (2)
H360.550.59840.24860.042*
C370.5713 (11)0.7014 (8)0.1597 (7)0.049 (3)
H37A0.67050.70770.17080.073*
H37B0.49110.75710.18690.073*
H37C0.56680.70430.10250.073*
C380.6793 (13)0.4901 (9)0.0679 (6)0.052 (3)
H38A0.57910.49220.05310.079*
H38B0.75020.42450.0510.079*
H38C0.71610.54460.04190.079*
C390.8199 (11)0.4994 (9)0.1804 (7)0.055 (3)
H39A0.89410.43830.15670.082*
H39B0.81350.49730.23820.082*
H39C0.85160.55950.16240.082*
C410.0706 (10)0.7584 (7)0.3023 (6)0.037 (2)
C420.2004 (12)0.7087 (7)0.3423 (5)0.037 (2)
H420.2830.73570.34960.045*
C430.1831 (13)0.6127 (8)0.3687 (6)0.049 (3)
H430.25290.56490.39560.058*
C440.0430 (12)0.6005 (8)0.3476 (6)0.048 (3)
H440.00320.54390.35870.057*
C450.0260 (12)0.6880 (7)0.3072 (6)0.043 (2)
H450.120.69930.28650.051*
C510.1164 (17)0.9604 (9)0.3425 (8)0.0704 (15)
C520.1513 (16)0.9208 (9)0.4165 (7)0.0704 (15)
H520.10170.85290.42710.084*
C530.2557 (17)0.9791 (9)0.4731 (8)0.0704 (15)
H530.28190.9490.52120.084*
C540.3280 (16)1.0849 (9)0.4628 (8)0.0704 (15)
H540.39171.12720.50450.084*
C550.2977 (17)1.1206 (9)0.3875 (8)0.0704 (15)
H550.34931.18790.37610.084*
C560.1950 (16)1.0613 (9)0.3291 (8)0.0704 (15)
H560.1771.0890.27880.084*
C610.1842 (11)0.9311 (7)0.2468 (6)0.039 (2)
C620.2665 (14)0.9406 (9)0.3113 (7)0.055 (3)
H620.23170.92370.3630.066*
C630.4000 (15)0.9752 (11)0.2983 (8)0.067 (3)
H630.45730.97720.34070.081*
C640.4462 (14)1.0058 (9)0.2247 (9)0.063 (3)
H640.53291.03150.21730.075*
C650.3676 (15)0.9995 (9)0.1604 (8)0.057 (3)
H650.40161.01970.10960.069*
C660.2362 (12)0.9625 (8)0.1719 (7)0.046 (2)
H660.18220.95890.12840.056*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.0326 (2)0.0326 (2)0.0419 (2)0.00665 (15)0.01257 (16)0.00029 (16)
Au20.0431 (3)0.0333 (2)0.0414 (3)0.00277 (17)0.01233 (17)0.00221 (16)
P10.0241 (11)0.0229 (11)0.0399 (13)0.0014 (8)0.0081 (9)0.0012 (9)
P20.0398 (13)0.0252 (12)0.0384 (13)0.0005 (10)0.0092 (10)0.0035 (9)
S10.0562 (17)0.0641 (18)0.0530 (16)0.0221 (14)0.0253 (13)0.0002 (14)
S20.069 (2)0.0500 (17)0.0584 (18)0.0029 (14)0.0330 (15)0.0017 (13)
N10.112 (11)0.066 (9)0.132 (12)0.011 (8)0.055 (9)0.018 (8)
N20.096 (9)0.081 (9)0.074 (8)0.035 (7)0.017 (7)0.022 (7)
N30.018 (4)0.040 (4)0.051 (5)0.001 (3)0.005 (3)0.008 (4)
Fe0.0231 (6)0.0221 (6)0.0377 (7)0.0009 (5)0.0032 (5)0.0022 (5)
C10.057 (7)0.072 (9)0.067 (8)0.024 (7)0.016 (6)0.021 (7)
C110.032 (5)0.021 (4)0.047 (5)0.006 (3)0.005 (4)0.002 (4)
C120.032 (5)0.043 (6)0.054 (6)0.004 (4)0.009 (4)0.003 (5)
C130.038 (6)0.046 (6)0.069 (8)0.013 (5)0.004 (5)0.006 (6)
C140.061 (7)0.030 (5)0.062 (7)0.000 (5)0.008 (6)0.001 (5)
C150.069 (8)0.049 (6)0.050 (6)0.021 (6)0.010 (5)0.006 (5)
C160.043 (6)0.038 (5)0.045 (6)0.005 (4)0.004 (4)0.005 (4)
C20.052 (7)0.058 (7)0.053 (7)0.017 (5)0.022 (5)0.006 (6)
C210.031 (5)0.024 (4)0.058 (6)0.011 (4)0.012 (4)0.008 (4)
C220.053 (7)0.039 (6)0.063 (7)0.013 (5)0.015 (5)0.009 (5)
C230.047 (7)0.054 (7)0.103 (11)0.021 (6)0.020 (7)0.004 (7)
C240.054 (8)0.065 (8)0.084 (10)0.025 (6)0.009 (7)0.011 (7)
C250.082 (9)0.077 (9)0.052 (7)0.039 (7)0.006 (6)0.001 (6)
C260.061 (7)0.052 (7)0.047 (6)0.025 (5)0.013 (5)0.003 (5)
C310.031 (5)0.028 (4)0.036 (5)0.007 (4)0.005 (4)0.007 (4)
C320.019 (4)0.026 (4)0.050 (5)0.000 (3)0.011 (4)0.002 (4)
C330.022 (4)0.038 (5)0.039 (5)0.002 (4)0.009 (4)0.004 (4)
C340.027 (4)0.033 (5)0.029 (4)0.001 (4)0.007 (3)0.007 (4)
C350.024 (4)0.026 (4)0.032 (4)0.005 (3)0.000 (3)0.001 (3)
C360.030 (5)0.031 (5)0.040 (5)0.004 (4)0.004 (4)0.005 (4)
C370.029 (5)0.038 (5)0.086 (8)0.020 (4)0.012 (5)0.010 (5)
C380.041 (6)0.062 (7)0.048 (6)0.008 (5)0.003 (5)0.008 (5)
C390.030 (5)0.061 (7)0.072 (8)0.008 (5)0.011 (5)0.001 (6)
C410.031 (5)0.030 (5)0.044 (5)0.002 (4)0.006 (4)0.007 (4)
C420.044 (6)0.030 (5)0.034 (5)0.003 (4)0.004 (4)0.002 (4)
C430.057 (7)0.046 (6)0.035 (5)0.000 (5)0.005 (5)0.002 (4)
C440.042 (6)0.037 (6)0.053 (6)0.001 (4)0.013 (5)0.003 (5)
C450.037 (5)0.036 (5)0.050 (6)0.006 (4)0.004 (4)0.001 (4)
C510.092 (4)0.037 (3)0.061 (3)0.010 (2)0.009 (3)0.003 (2)
C520.092 (4)0.037 (3)0.061 (3)0.010 (2)0.009 (3)0.003 (2)
C530.092 (4)0.037 (3)0.061 (3)0.010 (2)0.009 (3)0.003 (2)
C540.092 (4)0.037 (3)0.061 (3)0.010 (2)0.009 (3)0.003 (2)
C550.092 (4)0.037 (3)0.061 (3)0.010 (2)0.009 (3)0.003 (2)
C560.092 (4)0.037 (3)0.061 (3)0.010 (2)0.009 (3)0.003 (2)
C610.046 (6)0.022 (4)0.047 (6)0.005 (4)0.011 (4)0.005 (4)
C620.069 (8)0.063 (7)0.042 (6)0.031 (6)0.012 (5)0.011 (5)
C630.063 (8)0.070 (9)0.078 (9)0.026 (7)0.028 (7)0.010 (7)
C640.049 (7)0.048 (7)0.093 (10)0.014 (5)0.010 (7)0.001 (6)
C650.062 (8)0.050 (7)0.057 (7)0.012 (6)0.005 (6)0.003 (5)
C660.046 (6)0.042 (6)0.053 (6)0.015 (5)0.008 (5)0.003 (5)
Geometric parameters (Å, º) top
Au1—P12.265 (2)C31—C321.429 (12)
Au1—S12.327 (3)C32—C331.396 (12)
Au2—P22.260 (3)C32—H320.93
Au2—S22.313 (3)C33—C341.412 (13)
P1—C311.799 (9)C33—H330.93
P1—C111.813 (9)C34—C351.418 (12)
P1—C211.831 (9)C34—H340.93
P2—C411.769 (10)C35—C361.522 (12)
P2—C611.803 (10)C36—C371.535 (13)
P2—C511.816 (12)C36—H360.98
S1—C11.678 (15)C37—H37A0.96
S2—C21.673 (12)C37—H37B0.96
N1—C11.158 (18)C37—H37C0.96
N2—C21.133 (16)C38—H38A0.96
N3—C391.463 (12)C38—H38B0.96
N3—C381.468 (13)C38—H38C0.96
N3—C361.482 (11)C39—H39A0.96
Fe—C322.023 (9)C39—H39B0.96
Fe—C452.025 (10)C39—H39C0.96
Fe—C312.029 (9)C41—C421.428 (13)
Fe—C352.032 (8)C41—C451.439 (14)
Fe—C412.036 (9)C42—C431.400 (14)
Fe—C422.044 (9)C42—H420.93
Fe—C432.053 (10)C43—C441.402 (16)
Fe—C342.056 (9)C43—H430.93
Fe—C442.057 (10)C44—C451.391 (14)
Fe—C332.060 (9)C44—H440.93
C11—C161.392 (14)C45—H450.93
C11—C121.395 (13)C51—C521.377 (16)
C12—C131.402 (14)C51—C561.383 (16)
C12—H120.93C52—C531.337 (16)
C13—C141.348 (17)C52—H520.93
C13—H130.93C53—C541.416 (16)
C14—C151.383 (16)C53—H530.93
C14—H140.93C54—C551.366 (17)
C15—C161.389 (15)C54—H540.93
C15—H150.93C55—C561.354 (16)
C16—H160.93C55—H550.93
C21—C261.369 (14)C56—H560.93
C21—C221.386 (14)C61—C661.385 (14)
C22—C231.401 (16)C61—C621.403 (14)
C22—H220.93C62—C631.393 (16)
C23—C241.339 (18)C62—H620.93
C23—H230.93C63—C641.347 (18)
C24—C251.380 (19)C63—H630.93
C24—H240.93C64—C651.370 (17)
C25—C261.369 (16)C64—H640.93
C25—H250.93C65—C661.393 (16)
C26—H260.93C65—H650.93
C31—C351.427 (12)C66—H660.93
P1—Au1—S1175.61 (9)C33—C32—H32125.5
P2—Au2—S2176.86 (9)C31—C32—H32125.5
C31—P1—C11105.6 (4)Fe—C32—H32125
C31—P1—C21105.8 (4)C32—C33—C34108.1 (7)
C11—P1—C21107.1 (4)C32—C33—Fe68.6 (5)
C31—P1—Au1112.7 (3)C34—C33—Fe69.8 (5)
C11—P1—Au1114.4 (3)C32—C33—H33126
C21—P1—Au1110.6 (3)C34—C33—H33126
C41—P2—C61107.3 (4)Fe—C33—H33127.2
C41—P2—C51103.6 (5)C33—C34—C35108.4 (8)
C61—P2—C51106.7 (6)C33—C34—Fe70.1 (5)
C41—P2—Au2113.4 (3)C35—C34—Fe68.8 (5)
C61—P2—Au2113.2 (3)C33—C34—H34125.8
C51—P2—Au2112.0 (5)C35—C34—H34125.8
C1—S1—Au195.9 (4)Fe—C34—H34126.9
C2—S2—Au2103.1 (4)C34—C35—C31107.7 (8)
C39—N3—C38110.7 (8)C34—C35—C36127.3 (8)
C39—N3—C36112.0 (8)C31—C35—C36124.6 (8)
C38—N3—C36114.2 (8)C34—C35—Fe70.6 (5)
C32—Fe—C45117.3 (4)C31—C35—Fe69.3 (5)
C32—Fe—C3141.3 (3)C36—C35—Fe130.5 (6)
C45—Fe—C31150.1 (4)N3—C36—C35106.6 (7)
C32—Fe—C3568.9 (3)N3—C36—C37115.7 (8)
C45—Fe—C35167.9 (4)C35—C36—C37112.6 (8)
C31—Fe—C3541.1 (3)N3—C36—H36107.2
C32—Fe—C41151.0 (3)C35—C36—H36107.2
C45—Fe—C4141.5 (4)C37—C36—H36107.2
C31—Fe—C41166.6 (4)C36—C37—H37A109.5
C35—Fe—C41128.3 (4)C36—C37—H37B109.5
C32—Fe—C42166.3 (4)H37A—C37—H37B109.5
C45—Fe—C4268.0 (4)C36—C37—H37C109.5
C31—Fe—C42128.0 (4)H37A—C37—H37C109.5
C35—Fe—C42108.5 (4)H37B—C37—H37C109.5
C41—Fe—C4241.0 (4)N3—C38—H38A109.5
C32—Fe—C43128.4 (4)N3—C38—H38B109.5
C45—Fe—C4367.3 (4)H38A—C38—H38B109.5
C31—Fe—C43107.5 (4)N3—C38—H38C109.5
C35—Fe—C43118.1 (4)H38A—C38—H38C109.5
C41—Fe—C4368.5 (4)H38B—C38—H38C109.5
C42—Fe—C4340.0 (4)N3—C39—H39A109.5
C32—Fe—C3467.7 (4)N3—C39—H39B109.5
C45—Fe—C34130.0 (4)H39A—C39—H39B109.5
C31—Fe—C3468.5 (4)N3—C39—H39C109.5
C35—Fe—C3440.6 (3)H39A—C39—H39C109.5
C41—Fe—C34108.7 (4)H39B—C39—H39C109.5
C42—Fe—C34119.6 (4)C42—C41—C45105.1 (8)
C43—Fe—C34152.2 (4)C42—C41—P2132.1 (7)
C32—Fe—C44108.0 (4)C45—C41—P2122.6 (7)
C45—Fe—C4439.8 (4)C42—C41—Fe69.8 (5)
C31—Fe—C44117.0 (4)C45—C41—Fe68.8 (5)
C35—Fe—C44150.8 (4)P2—C41—Fe129.2 (5)
C41—Fe—C4468.7 (4)C43—C42—C41108.9 (9)
C42—Fe—C4467.4 (4)C43—C42—Fe70.4 (6)
C43—Fe—C4439.9 (5)C41—C42—Fe69.2 (5)
C34—Fe—C44167.1 (4)C43—C42—H42125.5
C32—Fe—C3340.0 (4)C41—C42—H42125.5
C45—Fe—C33109.2 (4)Fe—C42—H42126.5
C31—Fe—C3368.4 (3)C42—C43—C44108.6 (9)
C35—Fe—C3368.2 (3)C42—C43—Fe69.7 (6)
C41—Fe—C33118.5 (4)C44—C43—Fe70.2 (6)
C42—Fe—C33152.7 (4)C42—C43—H43125.7
C43—Fe—C33166.1 (4)C44—C43—H43125.7
C34—Fe—C3340.1 (4)Fe—C43—H43126
C44—Fe—C33129.0 (4)C45—C44—C43108.0 (10)
N1—C1—S1178.7 (13)C45—C44—Fe68.8 (6)
C16—C11—C12118.9 (9)C43—C44—Fe69.9 (6)
C16—C11—P1123.1 (7)C45—C44—H44126
C12—C11—P1118.0 (7)C43—C44—H44126
C11—C12—C13119.6 (10)Fe—C44—H44126.8
C11—C12—H12120.2C44—C45—C41109.4 (10)
C13—C12—H12120.2C44—C45—Fe71.3 (6)
C14—C13—C12120.7 (10)C41—C45—Fe69.7 (5)
C14—C13—H13119.6C44—C45—H45125.3
C12—C13—H13119.6C41—C45—H45125.3
C13—C14—C15120.6 (10)Fe—C45—H45125.3
C13—C14—H14119.7C52—C51—C56117.5 (11)
C15—C14—H14119.7C52—C51—P2122.5 (9)
C14—C15—C16119.9 (10)C56—C51—P2119.8 (10)
C14—C15—H15120.1C53—C52—C51120.6 (11)
C16—C15—H15120.1C53—C52—H52119.7
C15—C16—C11120.3 (10)C51—C52—H52119.7
C15—C16—H16119.9C52—C53—C54122.5 (12)
C11—C16—H16119.9C52—C53—H53118.7
N2—C2—S2174.5 (12)C54—C53—H53118.7
C26—C21—C22117.7 (9)C55—C54—C53115.4 (11)
C26—C21—P1118.4 (7)C55—C54—H54122.3
C22—C21—P1123.9 (8)C53—C54—H54122.3
C21—C22—C23120.8 (11)C56—C55—C54122.1 (11)
C21—C22—H22119.6C56—C55—H55119
C23—C22—H22119.6C54—C55—H55119
C24—C23—C22119.9 (12)C55—C56—C51121.4 (12)
C24—C23—H23120C55—C56—H56119.3
C22—C23—H23120C51—C56—H56119.3
C23—C24—C25119.7 (12)C66—C61—C62117.4 (9)
C23—C24—H24120.2C66—C61—P2121.1 (7)
C25—C24—H24120.2C62—C61—P2121.5 (8)
C26—C25—C24120.7 (12)C63—C62—C61120.5 (10)
C26—C25—H25119.7C63—C62—H62119.7
C24—C25—H25119.7C61—C62—H62119.7
C25—C26—C21121.1 (10)C64—C63—C62120.2 (11)
C25—C26—H26119.5C64—C63—H63119.9
C21—C26—H26119.5C62—C63—H63119.9
C35—C31—C32106.8 (8)C63—C64—C65121.1 (12)
C35—C31—P1125.8 (7)C63—C64—H64119.4
C32—C31—P1127.4 (7)C65—C64—H64119.4
C35—C31—Fe69.5 (5)C64—C65—C66119.3 (12)
C32—C31—Fe69.1 (5)C64—C65—H65120.4
P1—C31—Fe125.9 (5)C66—C65—H65120.4
C33—C32—C31108.9 (8)C61—C66—C65121.4 (10)
C33—C32—Fe71.4 (5)C61—C66—H66119.3
C31—C32—Fe69.6 (5)C65—C66—H66119.3
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C54—H54···N1i0.932.613.501 (18)160
Symmetry code: (i) x, y+2, z+1.
Comparative geometrical parameters (Å, °) for selected gold(I) ferrocenyl complexes (X = Cl, SCN) top
ComplexAu–PAu–XP–Au–X
[(dppf)(AuCl)2]a2.226 (1)2.278 (1)177.56 (8)
[(dppf-R)(AuCl)2]b2.237 (2)2.271 (3)175.4 (1)
2.224 (2)2.278 (2)174.0 (1)
[(dppf-R)(AuSCN)2]c2.265 (2)2.327 (3)175.61 (9)
2.260 (3)2.313 (3)176.86 (9)
[(dppf)(AuI)2]d2.248 (9)2.545 (3)177.7 (2)
2.240 (8)2.561 (2)176.3 (2)
[(dppf-L)2(AuCl)3]e2.31 (2)2.52 (3)113 (2)
2.28 (2)2.20 (2)177 (2)
Notes: (a) Crespo et al. (2000); (b) Sam et al. (2005), R = -CH(CH3)N(CH3)2, dppf is 1,1'-bis(diphenylphosphino)ferrocene; (c) this work, R = -CH(CH3)N(CH3)2; (d) Canales et al. (1997), isolated as the CH2Cl2 solvate. (e) Togni et al. (1990), L = -CH(CH3)N(CH3)CH2CH2N(CH3)2, isolated as the Et2O solvate.
 

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