Literature DB >> 21578625

[μ-1,1'-Bis(diphenyl-phosphino)ferrocene-κP:P']bis-{[(Z)-O-isopropyl-N-(4-methyl-phen-yl)thio-carbamato-κS]gold(I)}.

Primjira P Tadbuppa, Edward R T Tiekink.   

Abstract

In the title compound, [Au(2)<span class="Chemical">Fe(C(11<class="Chemical">span class="Disease">)H(14)NOS)(2)(C(17)H(14)P)(2)], the Fe(II) atom is located on a crystallographic centre of inversion. For the Au(I) atom, the deviation from linearity defined by its S,P-donor set [S-Au-P = 178.17 (8) Å] is due to an intra-molecular Au⋯O contact [3.079 (4) Å]. In the crystal, supra-molecular chains mediated by C-H⋯N inter-actions are formed, which run parallel to [001].

Entities:  

Year:  2009        PMID: 21578625      PMCID: PMC2971759          DOI: 10.1107/S1600536809047898

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


Related literature

For structural systematics and luminescence properties of <span class="Chemical">phosphinegold(I) carbonimidothio­ates, see: Ho et al. (2006 ▶); Ho & Tiekink (2007 ▶); Kuan et al. (2008 ▶). For the synthesis, see Hall et al. (1993 ▶). For a related structure, see Ho & Tiekink (2009 ▶).

Experimental

Crystal data

<span class="Chemical">[Au2Fe(C11H14NOS)2(C17H14P)2] M = 1364.87 Trin class="Chemical">clinin class="Chemical">c, a = 8.1631 (9) Å b = 13.4959 (14) Å n class="Chemical">c = 13.5154 (14) Å α = 107.440 (2)° β = 97.401 (2)° γ = 106.366 (2)° V = 1325.5 (2) Å3 Z = 1 Mo Kα radiation μ = 5.97 mm−1 T = 223 K 0.21 × 0.07 × 0.04 mm

Data collection

Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.629, T max = 1 7710 measured reflen class="Chemical">ctionpan>s 4651 independent reflen class="Chemical">ctions 3790 reflen class="Chemical">ctionpan>s with I > 2σ(I) R int = 0.036

Refinement

R[F 2 > 2σ(F 2)] = 0.040 wR(F 2) = 0.088 S = 0.98 4651 reflen class="Chemical">ctionpan>s 305 parameters H-atom parameters n class="Chemical">conpan>strainpan>ed Δρmax = 1.74 e Å−3 Δρmin = −0.93 e Å−3 Data n class="Chemical">collepan> class="Chemical">ction: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; program(s) used to solve structure: PATTY in DIRDIF92 (Beurskens et al., 1992 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: publCIF (Westrip, 2009 ▶). Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809047898/hb5221sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809047898/hb5221Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Au2Fe(C11H14NOS)2(C17H14P)2]Z = 1
Mr = 1364.87F(000) = 668
Triclinic, P1Dx = 1.710 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71069 Å
a = 8.1631 (9) ÅCell parameters from 2346 reflections
b = 13.4959 (14) Åθ = 2.7–30.0°
c = 13.5154 (14) ŵ = 5.97 mm1
α = 107.440 (2)°T = 223 K
β = 97.401 (2)°Block, orange
γ = 106.366 (2)°0.21 × 0.07 × 0.04 mm
V = 1325.5 (2) Å3
Bruker SMART CCD diffractometer4651 independent reflections
Radiation source: fine-focus sealed tube3790 reflections with I > 2σ(I)
graphiteRint = 0.036
ω scansθmax = 25.0°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2000)h = −9→5
Tmin = 0.629, Tmax = 1k = −16→15
7710 measured reflectionsl = −15→16
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.088H-atom parameters constrained
S = 0.98w = 1/[σ2(Fo2) + (0.0429P)2] where P = (Fo2 + 2Fc2)/3
4651 reflections(Δ/σ)max < 0.001
305 parametersΔρmax = 1.74 e Å3
0 restraintsΔρmin = −0.93 e Å3
Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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*/Ueq
Au0.13463 (4)0.49437 (2)0.20439 (2)0.03125 (11)
Fe0.50000.50000.00000.0270 (3)
S10.1355 (3)0.63009 (17)0.35458 (14)0.0434 (5)
P10.1284 (2)0.35677 (14)0.05834 (13)0.0266 (4)
O10.4456 (6)0.6118 (4)0.4008 (3)0.0351 (11)
N10.3945 (9)0.7445 (5)0.5308 (5)0.0457 (17)
C10.3418 (10)0.6707 (6)0.4401 (6)0.0382 (18)
C20.2892 (11)0.8073 (7)0.5704 (6)0.046 (2)
C30.2959 (12)0.8999 (7)0.5460 (7)0.057 (2)
H30.36470.91850.49930.069*
C40.2016 (12)0.9663 (7)0.5898 (7)0.059 (2)
H40.20361.02700.56890.071*
C50.1061 (12)0.9464 (8)0.6622 (6)0.056 (2)
C60.1049 (13)0.8551 (9)0.6871 (6)0.062 (3)
H60.04060.83810.73630.075*
C70.1941 (12)0.7875 (8)0.6427 (7)0.056 (2)
H70.18970.72590.66250.068*
C80.0014 (15)1.0160 (9)0.7055 (8)0.087 (4)
H8A−0.10980.99240.65480.130*
H8B0.06571.09260.71780.130*
H8C−0.02011.00840.77230.130*
C90.6271 (10)0.6486 (7)0.4650 (6)0.046 (2)
H90.62560.66770.54140.055*
C100.6848 (11)0.5484 (7)0.4295 (6)0.047 (2)
H10A0.60750.48800.44410.071*
H10B0.80420.56660.46820.071*
H10C0.67940.52670.35360.071*
C110.7391 (11)0.7471 (7)0.4477 (7)0.060 (2)
H11A0.69550.80790.47260.091*
H11B0.73570.72980.37230.091*
H11C0.85900.76800.48700.091*
C120.2458 (8)0.4006 (5)−0.0322 (5)0.0263 (15)
C130.2562 (9)0.5014 (6)−0.0501 (5)0.0329 (16)
H130.20790.5535−0.01450.039*
C140.3500 (10)0.5101 (7)−0.1288 (6)0.044 (2)
H140.37470.5680−0.15580.053*
C150.4004 (10)0.4153 (7)−0.1600 (5)0.045 (2)
H150.46550.3996−0.21160.054*
C160.3375 (9)0.3480 (6)−0.1013 (5)0.0354 (17)
H160.35340.2804−0.10700.043*
C17−0.0903 (8)0.2718 (5)−0.0236 (5)0.0267 (15)
C18−0.2168 (10)0.2284 (6)0.0247 (6)0.0423 (19)
H18−0.18930.24310.09850.051*
C19−0.3841 (11)0.1631 (7)−0.0356 (8)0.058 (2)
H19−0.46950.1317−0.00300.070*
C20−0.4260 (11)0.1439 (7)−0.1435 (8)0.057 (2)
H20−0.53990.0997−0.18430.068*
C21−0.3025 (11)0.1890 (6)−0.1906 (7)0.049 (2)
H21−0.33230.1767−0.26380.059*
C22−0.1347 (10)0.2522 (6)−0.1327 (6)0.0384 (18)
H22−0.04990.2822−0.16630.046*
C230.2152 (8)0.2599 (5)0.0958 (5)0.0294 (15)
C240.3196 (10)0.2918 (7)0.1944 (6)0.0423 (19)
H240.35070.36480.24160.051*
C250.3806 (12)0.2174 (8)0.2258 (7)0.059 (2)
H250.45120.23980.29460.070*
C260.3391 (12)0.1131 (8)0.1582 (7)0.056 (2)
H260.38400.06390.17970.067*
C270.2318 (10)0.0772 (6)0.0580 (7)0.048 (2)
H270.20060.00360.01190.057*
C280.1709 (9)0.1516 (6)0.0263 (6)0.0400 (18)
H280.09930.1289−0.04220.048*
U11U22U33U12U13U23
Au0.02798 (16)0.03521 (17)0.02566 (15)0.00940 (12)0.00453 (10)0.00587 (11)
Fe0.0229 (7)0.0322 (8)0.0227 (6)0.0055 (6)0.0028 (5)0.0098 (6)
S10.0352 (11)0.0527 (12)0.0320 (9)0.0184 (10)0.0026 (8)−0.0004 (9)
P10.0224 (9)0.0272 (9)0.0276 (9)0.0064 (8)0.0042 (7)0.0086 (8)
O10.028 (3)0.042 (3)0.029 (2)0.014 (2)0.000 (2)0.005 (2)
N10.046 (4)0.048 (4)0.033 (3)0.020 (3)−0.002 (3)0.003 (3)
C10.040 (4)0.035 (4)0.033 (4)0.003 (4)0.003 (3)0.015 (4)
C20.048 (5)0.054 (5)0.025 (4)0.019 (4)0.000 (4)0.003 (4)
C30.064 (6)0.051 (5)0.056 (5)0.016 (5)0.028 (5)0.016 (5)
C40.065 (6)0.040 (5)0.063 (6)0.016 (5)0.013 (5)0.008 (4)
C50.054 (6)0.068 (6)0.027 (4)0.018 (5)−0.002 (4)−0.005 (4)
C60.063 (6)0.092 (8)0.034 (4)0.027 (6)0.015 (4)0.023 (5)
C70.053 (5)0.075 (6)0.050 (5)0.032 (5)0.005 (4)0.028 (5)
C80.086 (8)0.099 (8)0.053 (6)0.048 (7)0.003 (6)−0.015 (6)
C90.036 (4)0.058 (5)0.031 (4)0.008 (4)−0.002 (3)0.011 (4)
C100.044 (5)0.070 (6)0.034 (4)0.027 (4)0.007 (4)0.021 (4)
C110.043 (5)0.051 (5)0.064 (6)−0.001 (4)−0.001 (4)0.009 (5)
C120.023 (3)0.025 (3)0.027 (3)0.006 (3)0.001 (3)0.007 (3)
C130.025 (4)0.037 (4)0.035 (4)0.010 (3)−0.002 (3)0.016 (3)
C140.043 (5)0.055 (5)0.032 (4)0.007 (4)−0.002 (4)0.023 (4)
C150.037 (4)0.064 (6)0.018 (3)0.002 (4)0.005 (3)0.007 (4)
C160.032 (4)0.037 (4)0.030 (4)0.009 (3)0.005 (3)0.006 (3)
C170.026 (4)0.016 (3)0.037 (4)0.007 (3)0.003 (3)0.009 (3)
C180.036 (4)0.044 (5)0.053 (5)0.014 (4)0.019 (4)0.022 (4)
C190.036 (5)0.044 (5)0.104 (8)0.011 (4)0.029 (5)0.035 (5)
C200.025 (4)0.042 (5)0.088 (7)0.006 (4)−0.009 (5)0.016 (5)
C210.036 (5)0.045 (5)0.049 (5)0.009 (4)−0.011 (4)0.006 (4)
C220.036 (4)0.038 (4)0.037 (4)0.012 (4)0.006 (3)0.009 (3)
C230.018 (3)0.028 (4)0.035 (4)−0.002 (3)0.007 (3)0.011 (3)
C240.041 (5)0.054 (5)0.036 (4)0.021 (4)0.007 (3)0.019 (4)
C250.072 (6)0.087 (7)0.041 (5)0.051 (6)0.015 (4)0.032 (5)
C260.066 (6)0.070 (6)0.072 (6)0.045 (5)0.037 (5)0.052 (6)
C270.040 (5)0.031 (4)0.074 (6)0.004 (4)0.019 (4)0.026 (4)
C280.025 (4)0.037 (4)0.052 (5)0.004 (3)0.003 (3)0.017 (4)
Au—S12.2883 (19)C10—H10A0.9700
Au—P12.2520 (17)C10—H10B0.9700
Fe—C13i2.025 (6)C10—H10C0.9700
Fe—C132.025 (6)C11—H11A0.9700
Fe—C122.036 (6)C11—H11B0.9700
Fe—C12i2.036 (6)C11—H11C0.9700
Fe—C162.039 (7)C12—C161.420 (9)
Fe—C16i2.039 (7)C12—C131.433 (9)
Fe—C152.046 (7)C13—C141.403 (10)
Fe—C15i2.046 (7)C13—H130.9400
Fe—C14i2.059 (7)C14—C151.416 (11)
Fe—C142.059 (7)C14—H140.9400
S1—C11.753 (7)C15—C161.411 (10)
P1—C121.784 (7)C15—H150.9400
P1—C231.814 (7)C16—H160.9400
P1—C171.818 (6)C17—C181.377 (10)
O1—C11.370 (9)C17—C221.396 (9)
O1—C91.479 (8)C18—C191.382 (11)
N1—C11.253 (9)C18—H180.9400
N1—C21.415 (10)C19—C201.381 (13)
C2—C71.365 (12)C19—H190.9400
C2—C31.373 (11)C20—C211.358 (12)
C3—C41.390 (12)C20—H200.9400
C3—H30.9400C21—C221.371 (10)
C4—C51.369 (12)C21—H210.9400
C4—H40.9400C22—H220.9400
C5—C61.369 (13)C23—C241.358 (9)
C5—C81.485 (12)C23—C281.393 (10)
C6—C71.372 (12)C24—C251.386 (10)
C6—H60.9400C24—H240.9400
C7—H70.9400C25—C261.346 (12)
C8—H8A0.9700C25—H250.9400
C8—H8B0.9700C26—C271.378 (12)
C8—H8C0.9700C26—H260.9400
C9—C111.488 (11)C27—C281.387 (10)
C9—C101.519 (10)C27—H270.9400
C9—H90.9900C28—H280.9400
P1—Au—S1178.17 (8)O1—C9—C10104.7 (6)
C13i—Fe—C13180.0C11—C9—C10113.9 (7)
C13i—Fe—C12138.7 (3)O1—C9—H9109.3
C13—Fe—C1241.3 (3)C11—C9—H9109.3
C13i—Fe—C12i41.3 (3)C10—C9—H9109.3
C13—Fe—C12i138.7 (3)C9—C10—H10A109.5
C12—Fe—C12i180.0C9—C10—H10B109.5
C13i—Fe—C16111.4 (3)H10A—C10—H10B109.5
C13—Fe—C1668.6 (3)C9—C10—H10C109.5
C12—Fe—C1640.8 (3)H10A—C10—H10C109.5
C12i—Fe—C16139.2 (3)H10B—C10—H10C109.5
C13i—Fe—C16i68.6 (3)C9—C11—H11A109.5
C13—Fe—C16i111.4 (3)C9—C11—H11B109.5
C12—Fe—C16i139.2 (3)H11A—C11—H11B109.5
C12i—Fe—C16i40.8 (3)C9—C11—H11C109.5
C16—Fe—C16i180.0 (4)H11A—C11—H11C109.5
C13i—Fe—C15112.4 (3)H11B—C11—H11C109.5
C13—Fe—C1567.6 (3)C16—C12—C13106.7 (6)
C12—Fe—C1568.2 (3)C16—C12—P1130.5 (5)
C12i—Fe—C15111.8 (3)C13—C12—P1122.8 (5)
C16—Fe—C1540.4 (3)C16—C12—Fe69.7 (4)
C16i—Fe—C15139.6 (3)C13—C12—Fe68.9 (4)
C13i—Fe—C15i67.6 (3)P1—C12—Fe127.9 (3)
C13—Fe—C15i112.4 (3)C14—C13—C12109.3 (7)
C12—Fe—C15i111.8 (3)C14—C13—Fe71.2 (4)
C12i—Fe—C15i68.2 (3)C12—C13—Fe69.7 (4)
C16—Fe—C15i139.6 (3)C14—C13—H13125.4
C16i—Fe—C15i40.4 (3)C12—C13—H13125.4
C15—Fe—C15i180.0 (2)Fe—C13—H13125.3
C13i—Fe—C14i40.2 (3)C13—C14—C15107.0 (7)
C13—Fe—C14i139.8 (3)C13—C14—Fe68.6 (4)
C12—Fe—C14i111.2 (3)C15—C14—Fe69.3 (4)
C12i—Fe—C14i68.8 (3)C13—C14—H14126.5
C16—Fe—C14i111.6 (3)C15—C14—H14126.5
C16i—Fe—C14i68.4 (3)Fe—C14—H14127.1
C15—Fe—C14i139.6 (3)C16—C15—C14109.2 (7)
C15i—Fe—C14i40.4 (3)C16—C15—Fe69.5 (4)
C13i—Fe—C14139.8 (3)C14—C15—Fe70.3 (4)
C13—Fe—C1440.2 (3)C16—C15—H15125.4
C12—Fe—C1468.8 (3)C14—C15—H15125.4
C12i—Fe—C14111.2 (3)Fe—C15—H15126.3
C16—Fe—C1468.4 (3)C15—C16—C12107.9 (7)
C16i—Fe—C14111.6 (3)C15—C16—Fe70.1 (4)
C15—Fe—C1440.4 (3)C12—C16—Fe69.5 (4)
C15i—Fe—C14139.6 (3)C15—C16—H16126.0
C14i—Fe—C14180.000 (1)C12—C16—H16126.0
C1—S1—Au105.7 (3)Fe—C16—H16126.0
C12—P1—C23108.0 (3)C18—C17—C22119.3 (7)
C12—P1—C17104.2 (3)C18—C17—P1118.6 (5)
C23—P1—C17104.0 (3)C22—C17—P1122.1 (6)
C12—P1—Au114.8 (2)C17—C18—C19119.9 (8)
C23—P1—Au110.6 (2)C17—C18—H18120.0
C17—P1—Au114.5 (2)C19—C18—H18120.0
C1—O1—C9116.5 (5)C20—C19—C18120.1 (8)
C1—N1—C2120.7 (7)C20—C19—H19120.0
N1—C1—O1120.6 (7)C18—C19—H19120.0
N1—C1—S1125.4 (6)C21—C20—C19120.0 (8)
O1—C1—S1114.0 (5)C21—C20—H20120.0
C7—C2—C3117.1 (8)C19—C20—H20120.0
C7—C2—N1122.6 (8)C20—C21—C22120.8 (8)
C3—C2—N1119.9 (8)C20—C21—H21119.6
C2—C3—C4120.5 (9)C22—C21—H21119.6
C2—C3—H3119.7C21—C22—C17119.8 (8)
C4—C3—H3119.7C21—C22—H22120.1
C5—C4—C3122.4 (9)C17—C22—H22120.1
C5—C4—H4118.8C24—C23—C28119.2 (7)
C3—C4—H4118.8C24—C23—P1119.8 (5)
C6—C5—C4115.9 (9)C28—C23—P1121.0 (5)
C6—C5—C8122.3 (10)C23—C24—C25120.4 (8)
C4—C5—C8121.7 (10)C23—C24—H24119.8
C5—C6—C7122.3 (9)C25—C24—H24119.8
C5—C6—H6118.8C26—C25—C24120.2 (8)
C7—C6—H6118.8C26—C25—H25119.9
C2—C7—C6121.7 (9)C24—C25—H25119.9
C2—C7—H7119.1C25—C26—C27121.1 (7)
C6—C7—H7119.1C25—C26—H26119.5
C5—C8—H8A109.5C27—C26—H26119.5
C5—C8—H8B109.5C26—C27—C28118.7 (8)
H8A—C8—H8B109.5C26—C27—H27120.6
C5—C8—H8C109.5C28—C27—H27120.6
H8A—C8—H8C109.5C27—C28—C23120.3 (7)
H8B—C8—H8C109.5C27—C28—H28119.9
O1—C9—C11110.2 (6)C23—C28—H28119.9
C2—N1—C1—O1178.4 (7)C16—Fe—C14—C1381.9 (5)
C2—N1—C1—S1−3.5 (11)C16i—Fe—C14—C13−98.1 (5)
C9—O1—C1—N1−6.9 (10)C15—Fe—C14—C13118.9 (6)
C9—O1—C1—S1174.8 (5)C15i—Fe—C14—C13−61.1 (6)
Au—S1—C1—N1179.4 (6)C13i—Fe—C14—C1561.1 (6)
Au—S1—C1—O1−2.4 (6)C13—Fe—C14—C15−118.9 (6)
C1—N1—C2—C7101.8 (9)C12—Fe—C14—C15−80.9 (5)
C1—N1—C2—C3−85.8 (10)C12i—Fe—C14—C1599.1 (5)
C7—C2—C3—C4−3.1 (13)C16—Fe—C14—C15−37.0 (4)
N1—C2—C3—C4−175.9 (7)C16i—Fe—C14—C15143.0 (4)
C2—C3—C4—C53.3 (14)C15i—Fe—C14—C15180.0
C3—C4—C5—C6−1.7 (13)C13—C14—C15—C160.3 (8)
C3—C4—C5—C8−178.0 (9)Fe—C14—C15—C1658.8 (5)
C4—C5—C6—C70.2 (13)C13—C14—C15—Fe−58.5 (5)
C8—C5—C6—C7176.4 (8)C13i—Fe—C15—C1697.3 (5)
C3—C2—C7—C61.7 (12)C13—Fe—C15—C16−82.7 (5)
N1—C2—C7—C6174.3 (8)C12—Fe—C15—C16−38.0 (4)
C5—C6—C7—C2−0.3 (14)C12i—Fe—C15—C16142.0 (4)
C1—O1—C9—C11−78.4 (8)C14i—Fe—C15—C1659.6 (6)
C1—O1—C9—C10158.6 (6)C14—Fe—C15—C16−120.4 (6)
C23—P1—C12—C1624.5 (7)C13i—Fe—C15—C14−142.3 (4)
C17—P1—C12—C16−85.7 (6)C13—Fe—C15—C1437.7 (4)
Au—P1—C12—C16148.3 (5)C12—Fe—C15—C1482.4 (5)
C23—P1—C12—C13−158.2 (5)C12i—Fe—C15—C14−97.6 (5)
C17—P1—C12—C1391.7 (5)C16—Fe—C15—C14120.4 (6)
Au—P1—C12—C13−34.4 (6)C16i—Fe—C15—C14−59.6 (6)
C23—P1—C12—Fe−70.5 (5)C14—C15—C16—C120.1 (8)
C17—P1—C12—Fe179.3 (4)Fe—C15—C16—C1259.4 (5)
Au—P1—C12—Fe53.3 (4)C14—C15—C16—Fe−59.3 (5)
C13i—Fe—C12—C16−62.0 (6)C13—C12—C16—C15−0.5 (7)
C13—Fe—C12—C16118.0 (6)P1—C12—C16—C15177.2 (5)
C16i—Fe—C12—C16180.0Fe—C12—C16—C15−59.8 (5)
C15—Fe—C12—C1637.6 (4)C13—C12—C16—Fe59.3 (4)
C15i—Fe—C12—C16−142.4 (4)P1—C12—C16—Fe−123.0 (6)
C14i—Fe—C12—C16−98.9 (4)C13i—Fe—C16—C15−99.8 (5)
C14—Fe—C12—C1681.1 (4)C13—Fe—C16—C1580.2 (5)
C13i—Fe—C12—C13180.0C12—Fe—C16—C15119.0 (6)
C16—Fe—C12—C13−118.0 (6)C12i—Fe—C16—C15−61.0 (6)
C16i—Fe—C12—C1362.0 (6)C14i—Fe—C16—C15−143.1 (5)
C15—Fe—C12—C13−80.4 (4)C14—Fe—C16—C1536.9 (5)
C15i—Fe—C12—C1399.6 (4)C13i—Fe—C16—C12141.2 (4)
C14i—Fe—C12—C13143.1 (4)C13—Fe—C16—C12−38.8 (4)
C14—Fe—C12—C13−36.9 (4)C12i—Fe—C16—C12180.0
C13i—Fe—C12—P164.2 (6)C15—Fe—C16—C12−119.0 (6)
C13—Fe—C12—P1−115.8 (6)C15i—Fe—C16—C1261.0 (6)
C16—Fe—C12—P1126.1 (6)C14i—Fe—C16—C1297.9 (4)
C16i—Fe—C12—P1−53.9 (6)C14—Fe—C16—C12−82.1 (4)
C15—Fe—C12—P1163.8 (5)C12—P1—C17—C18−177.4 (5)
C15i—Fe—C12—P1−16.2 (5)C23—P1—C17—C1869.6 (6)
C14i—Fe—C12—P127.3 (5)Au—P1—C17—C18−51.2 (6)
C14—Fe—C12—P1−152.7 (5)C12—P1—C17—C220.7 (6)
C16—C12—C13—C140.7 (7)C23—P1—C17—C22−112.3 (6)
P1—C12—C13—C14−177.2 (5)Au—P1—C17—C22126.9 (5)
Fe—C12—C13—C1460.5 (5)C22—C17—C18—C192.1 (10)
C16—C12—C13—Fe−59.8 (4)P1—C17—C18—C19−179.7 (6)
P1—C12—C13—Fe122.3 (5)C17—C18—C19—C20−1.8 (12)
C12—Fe—C13—C14−119.8 (6)C18—C19—C20—C210.2 (13)
C12i—Fe—C13—C1460.2 (6)C19—C20—C21—C221.1 (12)
C16—Fe—C13—C14−81.5 (5)C20—C21—C22—C17−0.8 (12)
C16i—Fe—C13—C1498.5 (5)C18—C17—C22—C21−0.8 (10)
C15—Fe—C13—C14−37.8 (5)P1—C17—C22—C21−178.9 (6)
C15i—Fe—C13—C14142.2 (5)C12—P1—C23—C24106.1 (6)
C14i—Fe—C13—C14180.0C17—P1—C23—C24−143.6 (6)
C12i—Fe—C13—C12180.0Au—P1—C23—C24−20.2 (6)
C16—Fe—C13—C1238.3 (4)C12—P1—C23—C28−76.4 (6)
C16i—Fe—C13—C12−141.7 (4)C17—P1—C23—C2833.9 (7)
C15—Fe—C13—C1282.0 (4)Au—P1—C23—C28157.3 (5)
C15i—Fe—C13—C12−98.0 (4)C28—C23—C24—C25−0.3 (12)
C14i—Fe—C13—C12−60.2 (6)P1—C23—C24—C25177.2 (6)
C14—Fe—C13—C12119.8 (6)C23—C24—C25—C261.0 (13)
C12—C13—C14—C15−0.6 (7)C24—C25—C26—C27−1.8 (14)
Fe—C13—C14—C1559.0 (5)C25—C26—C27—C281.9 (13)
C12—C13—C14—Fe−59.6 (4)C26—C27—C28—C23−1.2 (12)
C13i—Fe—C14—C13180.0C24—C23—C28—C270.4 (11)
C12—Fe—C14—C1337.9 (4)P1—C23—C28—C27−177.0 (6)
C12i—Fe—C14—C13−142.1 (4)
D—H···AD—HH···AD···AD—H···A
C25—H25···N1ii0.942.453.370 (11)167
Table 1

Selected bond lengths (Å)

Au—S12.2883 (19)
Au—P12.2520 (17)
Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A D—HH⋯A DA D—H⋯A
C25—H25⋯N1i 0.942.453.370 (11)167

Symmetry code: (i) .

  3 in total

1.  A short history of SHELX.

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

2.  Luminescent phosphine gold(I) thiolates: correlation between crystal structure and photoluminescent properties in [R3PAu{SC(OMe)=NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)=NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc).

Authors:  Soo Yei Ho; Eddie Chung-Chin Cheng; Edward R T Tiekink; Vivian Wing-Wah Yam
Journal:  Inorg Chem       Date:  2006-10-02       Impact factor: 5.165

3.  μ-1,1'-Bis(diphenyl-phosphino)ferrocene-κP:P'-bis-{[(Z)-O-isopropyl N-(4-nitro-phen-yl)thio-carbamato-κS]gold(I)} chloro-form disolvate.

Authors:  Soo Yei Ho; Edward R T Tiekink
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-10-31
  3 in total
  1 in total

1.  [μ-1,1'-Bis(diphenyl-phosphino)ferrocene]bis-{[(Z)-O-ethyl N-phenyl-thio-carbamato-κS]gold(I)} dichloro-methane solvate.

Authors:  Soo Yei Ho; Edward R T Tiekink
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-05-08
  1 in total

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