[Ferrocene-1,1′-diyl­bis­(di­phenyl­phosphine-P)](toluene-3,4-di­thiol­ato)­platinum(II) di­chloro­methane solvate

Bacsa, J.; Darkwa, J.; Maisela, L.L.

doi:10.1107/S1600536801002264

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[Ferrocene-1,1'-diylbis(diphenylphosphine-P)](toluene-3,4-dithiolato)platinum(II) dichloromethane solvate

J. Bacsa, J. Darkwa and L. L. Maisela

The title compound, [Pt(C₃₄H₂₈FeP₂)(C₇H₆S₂)]·CH₂Cl₂, has a distorted square-planar geometry with two sets of cis S and P atoms. The Pt-S bonds differ significantly, with bond distances of 2.306 (2) and 2.322 (2) Å. The longer Pt-S distance may be due to the trans influence by the shorter Pt-P bond.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801002264/ob6026sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536801002264/ob6026Isup2.hkl Contains datablock I

CCDC reference: 159830

checkCIF report

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.010 Å
R factor = 0.051
wR factor = 0.111
Data-to-parameter ratio = 18.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

Comment top

A number of metal complexes containing thiolate ligands are known to absorb SO₂ reversibly, with the SO₂ bound to the S atom of the thiolate ligand (Eller et al., 1977; Mazid et al., 1981; Darensbourg et al., 1994; Shaver et al., 1992). In some of our recent work, we have investigated SO₂ binding by diphosphinonickel(II)–dithiolate complexes (Darkwa, 1997), but we found no conclusive evidence for the binding site of the SO₂ from spectroscopic data. In pursuing the objective of identifying the binding site for SO₂ adducts in diphosphinometal dithiolates, we reacted the title Pt complex (Maisela, 2001) with sulfur dioxide gas and attempted to grow crystals of this product. UV-vis and ¹H NMR spectroscopic data indicate the formation of an SO₂ adduct, but attempts to grow crystals of this adduct under an atmosphere of SO₂ resulted in crystals of (I), whose structure is reported here.

The molecular structure of (I) is shown in Fig. 1, and selected bond distances and angles are shown in Table 1. The essential features of this molecular structure are similar to that of [Pd(C₂₂H₃₆FeP₂)(C₆H₅S)₂] (Guzei et al., 2000). The coordination geometry around the Pt^II ion is square planar, with P and S atoms cis to each other. There is a small amount of distortion of the square plane towards a tetrahedron. The Pt atom is displaced slightly at a distance of 0.026 (1) Å from the coordination plane defined by the P1/P2/S1/S2 atoms. The Pt—P and Pt—S distances are typical in similar complexes (Maisela et al., 2001). However, the difference between the two Pt—S distances are significant. The longer Pt—S2 bond than Pt—S1 may be due to the trans influence by the shorter Pt—P1 bond than Pt—P2.

The two Fe—Cp (Cp is the cyclopentadienyl centroid) distances [1.639 (3) and 1.644 (3) Å] of the ferrocene moiety are the same within experimental error. The two Cp rings are staggered with an interplanar distance of 3.283 (4) Å. The dihedral angle of the Cp rings is 4.4 (1)°. The closest distance between the two Cp rings occurs at the C1 and C6 atoms bonded to P, and it is likely that the tilting is due to coordination of P atoms to Pt.

Experimental top

The title complex was synthesized by a recently reported procedure (Maisela et al., 2001). Crystals of (I) were grown by layering an SO₂-saturated solution of [Pt(dppf)(SC₆H₃MeS-o)] in dichloromethane with SO₂-saturated hexane and allowing the hexane to diffuse slowly into the solution of the platinum compound.

Computing details top

Data collection: COLLECT (Nonius, 2000); cell refinement: SCALEPACK (Otwinowski & Minor,1997); data reduction: SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1997); software used to prepare material for publication: PLATON.

Figures top

Fig. 1. A view of (I) with the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.

[Ferrocene-1,1'-diylbis(diphenylphosphine-P)](3,4-toluenethio)platinum(II) dichloromethane solvate top

Crystal data top

[Pt(C₃₄H₂₈FeP₂)(C₇H₆S₂)]·CH₂Cl₂	F(000) = 1952
M_r = 988.61	D_x = 1.744 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 4233 reflections
a = 14.539 (1) Å	θ = 2–27°
b = 14.550 (1) Å	µ = 4.47 mm⁻¹
c = 17.850 (1) Å	T = 173 K
β = 94.550 (1)°	Parallelepiped, orange
V = 3764.1 (4) Å³	0.37 × 0.25 × 0.16 mm
Z = 4

Data collection top

Nonius KappaCCD area-detector diffractometer	8290 independent reflections
Radiation source: fine-focus sealed tube	5735 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.075
ϕ and ω scans with θ offsets	θ_max = 27.5°, θ_min = 1.7°
Absorption correction: empirical (using intensity measurements) (SORTAV; Blessing, 1995)	h = −18→13
T_min = 0.264, T_max = 0.489	k = −18→17
20154 measured reflections	l = −13→23

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.051	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.111	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.0476P)²] where P = (F_o² + 2F_c²)/3
8290 reflections	(Δ/σ)_max = 0.004
453 parameters	Δρ_max = 1.43 e Å⁻³
0 restraints	Δρ_min = −1.93 e Å⁻³

Crystal data top

[Pt(C₃₄H₂₈FeP₂)(C₇H₆S₂)]·CH₂Cl₂	V = 3764.1 (4) Å³
M_r = 988.61	Z = 4
Monoclinic, P2₁/n	Mo Kα radiation
a = 14.539 (1) Å	µ = 4.47 mm⁻¹
b = 14.550 (1) Å	T = 173 K
c = 17.850 (1) Å	0.37 × 0.25 × 0.16 mm
β = 94.550 (1)°

Data collection top

Nonius KappaCCD area-detector diffractometer	8290 independent reflections
Absorption correction: empirical (using intensity measurements) (SORTAV; Blessing, 1995)	5735 reflections with I > 2σ(I)
T_min = 0.264, T_max = 0.489	R_int = 0.075
20154 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.051	0 restraints
wR(F²) = 0.111	H-atom parameters constrained
S = 1.04	Δρ_max = 1.43 e Å⁻³
8290 reflections	Δρ_min = −1.93 e Å⁻³
453 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Pt1	−0.004352 (14)	0.873072 (18)	0.210688 (13)	0.01624 (9)
Fe1	0.02298 (6)	1.11677 (7)	0.34546 (5)	0.0249 (2)
P1	−0.09648 (10)	1.00033 (12)	0.20765 (9)	0.0169 (4)
S2	0.08054 (10)	0.73801 (12)	0.20928 (10)	0.0246 (4)
P2	0.12992 (10)	0.94373 (12)	0.25592 (9)	0.0193 (4)
S1	−0.13038 (10)	0.79108 (12)	0.16073 (10)	0.0233 (4)
C7	0.1152 (4)	1.1429 (5)	0.2683 (4)	0.0294 (17)
H7	0.1009	1.1545	0.2163	0.035*
C10	0.1511 (4)	1.0706 (5)	0.3813 (4)	0.0317 (17)
H10	0.1655	1.0247	0.4182	0.038*
C9	0.1462 (4)	1.1655 (6)	0.3960 (4)	0.041 (2)
H9	0.1556	1.1941	0.4439	0.049*
C8	0.1245 (4)	1.2109 (6)	0.3260 (5)	0.041 (2)
H8	0.1175	1.2753	0.3190	0.050*
C6	0.1312 (4)	1.0533 (5)	0.3023 (4)	0.0244 (16)
C40	−0.1436 (4)	0.6178 (5)	0.1017 (4)	0.0258 (15)
H40	−0.2070	0.6321	0.0906	0.031*
C37	0.0392 (4)	0.5759 (5)	0.1360 (3)	0.0241 (15)
H37	0.1021	0.5601	0.1482	0.029*
C29	0.1932 (4)	0.8717 (4)	0.3271 (3)	0.0210 (14)
C11	−0.0740 (4)	1.0798 (4)	0.1327 (3)	0.0206 (14)
C35	−0.0869 (4)	0.6826 (5)	0.1396 (3)	0.0213 (15)
C17	−0.2203 (3)	0.9779 (4)	0.1891 (3)	0.0186 (14)
C39	−0.1118 (4)	0.5345 (5)	0.0800 (4)	0.0291 (16)
C2	−0.1055 (4)	1.1606 (5)	0.3064 (4)	0.0245 (15)
H2	−0.1202	1.2050	0.2683	0.029*
C1	−0.0931 (4)	1.0632 (5)	0.2943 (4)	0.0227 (15)
C22	−0.2583 (4)	0.9593 (4)	0.1166 (3)	0.0219 (15)
H22	−0.2205	0.9627	0.0756	0.026*
C15	0.0144 (5)	1.1227 (5)	0.0298 (4)	0.0347 (18)
H15	0.0641	1.1109	−0.0002	0.042*
C16	−0.0012 (4)	1.0649 (4)	0.0889 (3)	0.0206 (14)
H16	0.0388	1.0142	0.0996	0.025*
C21	−0.3502 (4)	0.9359 (5)	0.1037 (4)	0.0267 (16)
H21	−0.3759	0.9254	0.0538	0.032*
C23	0.2132 (3)	0.9637 (5)	0.1860 (3)	0.0203 (15)
C4	−0.0730 (5)	1.0942 (6)	0.4215 (4)	0.0379 (19)
H4	−0.0614	1.0866	0.4742	0.046*
C36	0.0074 (4)	0.6606 (4)	0.1585 (3)	0.0191 (14)
C5	−0.0739 (4)	1.0219 (5)	0.3668 (4)	0.0251 (15)
H5	−0.0637	0.9585	0.3767	0.030*
C38	−0.0178 (4)	0.5139 (5)	0.0964 (3)	0.0286 (16)
H38	0.0064	0.4572	0.0802	0.034*
C27	0.2811 (4)	0.9178 (5)	0.0742 (4)	0.0311 (17)
H27	0.2799	0.8809	0.0302	0.037*
C34	0.1431 (4)	0.8280 (5)	0.3796 (4)	0.0298 (17)
H34	0.0779	0.8342	0.3774	0.036*
C30	0.2881 (4)	0.8631 (5)	0.3310 (4)	0.0331 (18)
H30	0.3225	0.8941	0.2956	0.040*
C18	−0.2771 (4)	0.9716 (5)	0.2480 (4)	0.0311 (17)
H18	−0.2525	0.9847	0.2977	0.037*
C33	0.1897 (5)	0.7745 (5)	0.4360 (4)	0.0384 (19)
H33	0.1562	0.7439	0.4721	0.046*
C14	−0.0419 (4)	1.1971 (5)	0.0144 (4)	0.0345 (18)
H14	−0.0312	1.2368	−0.0263	0.041*
C26	0.3509 (4)	0.9818 (5)	0.0880 (4)	0.0316 (17)
H26	0.3993	0.9858	0.0554	0.038*
C25	0.3500 (4)	1.0398 (6)	0.1490 (4)	0.0374 (19)
H25	0.3959	1.0860	0.1574	0.045*
C24	0.2817 (4)	1.0300 (5)	0.1978 (4)	0.0279 (16)
H24	0.2815	1.0693	0.2403	0.033*
C28	0.2136 (4)	0.9068 (5)	0.1230 (4)	0.0256 (16)
H28	0.1676	0.8609	0.1141	0.031*
C12	−0.1303 (4)	1.1554 (5)	0.1160 (4)	0.0328 (18)
H12	−0.1809	1.1668	0.1452	0.039*
C32	0.2836 (5)	0.7668 (5)	0.4385 (4)	0.040 (2)
H32	0.3149	0.7313	0.4772	0.048*
C3	−0.0921 (4)	1.1788 (5)	0.3842 (4)	0.0364 (19)
H3	−0.0953	1.2374	0.4074	0.044*
C13	−0.1142 (5)	1.2141 (5)	0.0581 (4)	0.0398 (19)
H13	−0.1527	1.2661	0.0482	0.048*
C31	0.3332 (5)	0.8090 (6)	0.3868 (4)	0.039 (2)
H31	0.3983	0.8015	0.3887	0.047*
Cl2	−0.03592 (15)	0.6595 (2)	0.44390 (15)	0.0720 (7)
C42	−0.0969 (4)	0.6922 (4)	0.3577 (3)	0.0197 (15)
H42A	−0.0528	0.7067	0.3199	0.024*
H42B	−0.1369	0.6411	0.3383	0.024*
C20	−0.4042 (4)	0.9279 (6)	0.1626 (5)	0.043 (2)
H20	−0.4667	0.9094	0.1535	0.051*
C19	−0.3689 (4)	0.9465 (6)	0.2353 (4)	0.042 (2)
H19	−0.4072	0.9421	0.2759	0.051*
C41	−0.1741 (5)	0.4700 (6)	0.0356 (5)	0.060 (3)
H41A	−0.1996	0.4255	0.0695	0.090*
H41B	−0.1391	0.4375	−0.0009	0.090*
H41C	−0.2245	0.5046	0.0090	0.090*
Cl1	−0.16384 (15)	0.78836 (17)	0.37363 (15)	0.0690 (7)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pt1	0.01589 (13)	0.01604 (14)	0.01638 (14)	0.00102 (11)	−0.00126 (8)	−0.00084 (12)
Fe1	0.0293 (5)	0.0241 (6)	0.0211 (5)	−0.0014 (4)	0.0009 (4)	−0.0078 (5)
P1	0.0173 (7)	0.0145 (9)	0.0191 (9)	0.0027 (7)	0.0024 (6)	−0.0012 (7)
S2	0.0216 (8)	0.0186 (9)	0.0323 (10)	0.0048 (7)	−0.0049 (7)	−0.0025 (8)
P2	0.0166 (7)	0.0228 (10)	0.0177 (9)	−0.0004 (7)	−0.0031 (6)	−0.0023 (8)
S1	0.0182 (7)	0.0184 (9)	0.0327 (10)	0.0011 (7)	−0.0016 (7)	−0.0052 (8)
C7	0.027 (3)	0.027 (5)	0.034 (4)	−0.006 (3)	0.008 (3)	−0.002 (3)
C10	0.034 (4)	0.034 (5)	0.026 (4)	−0.001 (3)	−0.007 (3)	0.000 (4)
C9	0.036 (4)	0.052 (6)	0.034 (5)	−0.008 (4)	−0.006 (3)	−0.017 (4)
C8	0.039 (4)	0.031 (5)	0.054 (6)	−0.012 (4)	0.006 (4)	−0.020 (4)
C6	0.022 (3)	0.025 (4)	0.024 (4)	−0.006 (3)	−0.007 (3)	−0.002 (3)
C40	0.028 (3)	0.024 (4)	0.025 (4)	−0.004 (3)	−0.003 (3)	0.001 (3)
C37	0.031 (3)	0.025 (4)	0.016 (3)	0.008 (3)	−0.001 (3)	0.000 (3)
C29	0.028 (3)	0.018 (4)	0.016 (3)	0.003 (3)	−0.004 (3)	0.002 (3)
C11	0.019 (3)	0.018 (4)	0.024 (4)	0.004 (3)	−0.010 (3)	−0.003 (3)
C35	0.019 (3)	0.028 (4)	0.017 (3)	0.002 (3)	0.000 (3)	0.000 (3)
C17	0.015 (3)	0.018 (4)	0.024 (4)	0.003 (3)	0.006 (3)	0.001 (3)
C39	0.040 (4)	0.024 (4)	0.023 (4)	−0.002 (3)	−0.002 (3)	0.000 (3)
C2	0.031 (3)	0.015 (3)	0.028 (4)	0.006 (3)	0.004 (3)	0.000 (3)
C1	0.019 (3)	0.030 (4)	0.020 (4)	−0.001 (3)	0.006 (3)	−0.008 (3)
C22	0.027 (3)	0.018 (4)	0.020 (4)	0.007 (3)	0.001 (3)	0.003 (3)
C15	0.036 (4)	0.046 (5)	0.022 (4)	−0.016 (4)	0.001 (3)	−0.006 (4)
C16	0.023 (3)	0.014 (4)	0.024 (4)	−0.008 (3)	−0.001 (3)	−0.003 (3)
C21	0.025 (3)	0.022 (4)	0.032 (4)	−0.002 (3)	−0.005 (3)	0.003 (3)
C23	0.014 (3)	0.028 (4)	0.018 (3)	0.000 (3)	−0.006 (2)	0.005 (3)
C4	0.043 (4)	0.043 (5)	0.029 (4)	−0.001 (4)	0.014 (3)	−0.013 (4)
C36	0.030 (3)	0.007 (3)	0.020 (4)	0.001 (3)	−0.002 (3)	0.005 (3)
C5	0.032 (3)	0.018 (4)	0.025 (4)	0.000 (3)	0.005 (3)	−0.001 (3)
C38	0.044 (4)	0.014 (4)	0.027 (4)	0.012 (3)	0.000 (3)	−0.009 (3)
C27	0.034 (4)	0.029 (4)	0.030 (4)	0.003 (3)	0.003 (3)	−0.002 (4)
C34	0.032 (4)	0.032 (5)	0.025 (4)	0.012 (3)	−0.001 (3)	0.001 (4)
C30	0.029 (4)	0.035 (5)	0.034 (4)	0.006 (3)	−0.003 (3)	0.002 (4)
C18	0.025 (3)	0.038 (5)	0.029 (4)	0.007 (3)	−0.002 (3)	−0.002 (4)
C33	0.061 (5)	0.038 (5)	0.016 (4)	0.010 (4)	0.003 (3)	0.000 (4)
C14	0.041 (4)	0.032 (5)	0.029 (4)	−0.015 (4)	−0.004 (3)	0.008 (4)
C26	0.026 (3)	0.042 (5)	0.027 (4)	0.007 (3)	0.004 (3)	0.008 (4)
C25	0.031 (4)	0.046 (5)	0.036 (5)	−0.009 (4)	0.005 (3)	0.005 (4)
C24	0.028 (3)	0.029 (4)	0.027 (4)	−0.011 (3)	0.004 (3)	−0.002 (3)
C28	0.024 (3)	0.031 (4)	0.022 (4)	0.001 (3)	0.002 (3)	−0.004 (3)
C12	0.030 (4)	0.037 (5)	0.031 (4)	0.001 (3)	0.001 (3)	0.007 (4)
C32	0.048 (4)	0.034 (5)	0.035 (5)	0.015 (4)	−0.015 (4)	0.002 (4)
C3	0.032 (4)	0.031 (5)	0.048 (5)	0.002 (3)	0.014 (3)	−0.012 (4)
C13	0.050 (4)	0.026 (5)	0.041 (5)	−0.004 (4)	−0.010 (4)	0.011 (4)
C31	0.029 (4)	0.043 (5)	0.045 (5)	0.012 (4)	−0.006 (3)	0.001 (4)
Cl2	0.0596 (13)	0.077 (2)	0.0802 (19)	0.0027 (13)	0.0128 (12)	0.0085 (16)
C42	0.032 (3)	0.009 (3)	0.022 (4)	−0.012 (3)	0.023 (3)	−0.009 (3)
C20	0.019 (3)	0.042 (5)	0.066 (6)	0.001 (3)	−0.006 (4)	−0.006 (5)
C19	0.028 (4)	0.057 (6)	0.044 (5)	−0.008 (4)	0.017 (3)	−0.017 (4)
C41	0.054 (5)	0.042 (6)	0.079 (7)	−0.001 (4)	−0.018 (5)	−0.023 (5)
Cl1	0.0691 (14)	0.0475 (16)	0.0933 (19)	−0.0009 (12)	0.0239 (13)	0.0012 (14)

Geometric parameters (Å, º) top

Pt1—P1	2.2835 (16)	C11—C16	1.382 (8)
Pt1—P2	2.2956 (15)	C11—C12	1.389 (9)
Pt1—S1	2.3058 (15)	C35—C36	1.422 (8)
Pt1—S2	2.3217 (16)	C17—C18	1.389 (8)
Fe1—C1	2.012 (6)	C17—C22	1.394 (8)
Fe1—C6	2.028 (6)	C39—C38	1.407 (8)
Fe1—C5	2.029 (6)	C39—C41	1.488 (9)
Fe1—C7	2.033 (7)	C2—C3	1.412 (9)
Fe1—C10	2.035 (6)	C2—C1	1.448 (9)
Fe1—C2	2.044 (6)	C1—C5	1.433 (9)
Fe1—C4	2.048 (7)	C22—C21	1.381 (8)
Fe1—C8	2.063 (7)	C15—C14	1.371 (10)
Fe1—C9	2.067 (7)	C15—C16	1.381 (9)
Fe1—C3	2.068 (6)	C21—C20	1.366 (9)
P1—C1	1.794 (6)	C23—C24	1.390 (8)
P1—C11	1.818 (7)	C23—C28	1.396 (8)
P1—C17	1.833 (5)	C4—C3	1.416 (10)
S2—C36	1.752 (6)	C4—C5	1.435 (9)
P2—C6	1.796 (7)	C27—C28	1.372 (8)
P2—C23	1.830 (6)	C27—C26	1.385 (9)
P2—C29	1.837 (6)	C34—C33	1.402 (9)
S1—C35	1.753 (7)	C30—C31	1.392 (9)
C7—C8	1.427 (9)	C18—C19	1.386 (8)
C7—C6	1.450 (9)	C33—C32	1.368 (9)
C10—C9	1.408 (11)	C14—C13	1.380 (9)
C10—C6	1.439 (9)	C26—C25	1.379 (10)
C9—C8	1.427 (11)	C25—C24	1.379 (8)
C40—C39	1.364 (9)	C12—C13	1.374 (10)
C40—C35	1.392 (9)	C32—C31	1.363 (10)
C37—C38	1.382 (8)	Cl2—C42	1.778 (7)
C37—C36	1.387 (8)	C42—Cl1	1.740 (6)
C29—C30	1.382 (8)	C20—C19	1.384 (10)
C29—C34	1.386 (9)

P1—Pt1—P2	97.24 (6)	C8—C9—Fe1	69.7 (4)
P1—Pt1—S1	87.92 (6)	C7—C8—C9	108.3 (7)
P2—Pt1—S1	174.42 (6)	C7—C8—Fe1	68.5 (4)
P1—Pt1—S2	175.87 (5)	C9—C8—Fe1	69.9 (4)
P2—Pt1—S2	86.84 (6)	C10—C6—C7	105.5 (6)
S1—Pt1—S2	87.98 (6)	C10—C6—P2	127.0 (5)
C1—Fe1—C6	107.4 (2)	C7—C6—P2	127.6 (5)
C1—Fe1—C5	41.5 (2)	C10—C6—Fe1	69.5 (4)
C6—Fe1—C5	109.4 (3)	C7—C6—Fe1	69.3 (4)
C1—Fe1—C7	109.9 (3)	P2—C6—Fe1	126.8 (3)
C6—Fe1—C7	41.8 (3)	C39—C40—C35	122.6 (6)
C5—Fe1—C7	139.4 (3)	C38—C37—C36	121.8 (6)
C1—Fe1—C10	136.8 (3)	C30—C29—C34	120.1 (6)
C6—Fe1—C10	41.5 (2)	C30—C29—P2	121.9 (5)
C5—Fe1—C10	110.4 (3)	C34—C29—P2	117.9 (4)
C7—Fe1—C10	68.8 (3)	C16—C11—C12	117.9 (6)
C1—Fe1—C2	41.8 (3)	C16—C11—P1	120.5 (5)
C6—Fe1—C2	136.8 (3)	C12—C11—P1	121.6 (5)
C5—Fe1—C2	69.3 (3)	C40—C35—C36	119.0 (6)
C7—Fe1—C2	110.2 (3)	C40—C35—S1	120.4 (5)
C10—Fe1—C2	178.2 (3)	C36—C35—S1	120.6 (5)
C1—Fe1—C4	69.4 (3)	C18—C17—C22	118.3 (5)
C6—Fe1—C4	140.2 (3)	C18—C17—P1	120.6 (5)
C5—Fe1—C4	41.2 (3)	C22—C17—P1	120.9 (4)
C7—Fe1—C4	177.9 (3)	C40—C39—C38	118.4 (6)
C10—Fe1—C4	113.2 (3)	C40—C39—C41	120.4 (6)
C2—Fe1—C4	67.9 (3)	C38—C39—C41	121.1 (6)
C1—Fe1—C8	140.1 (3)	C3—C2—C1	108.7 (6)
C6—Fe1—C8	69.6 (3)	C3—C2—Fe1	70.9 (4)
C5—Fe1—C8	178.2 (3)	C1—C2—Fe1	67.9 (3)
C7—Fe1—C8	40.8 (3)	C5—C1—C2	107.0 (6)
C10—Fe1—C8	67.8 (3)	C5—C1—P1	123.7 (5)
C2—Fe1—C8	112.5 (3)	C2—C1—P1	129.2 (5)
C4—Fe1—C8	138.7 (3)	C5—C1—Fe1	69.9 (3)
C1—Fe1—C9	176.8 (3)	C2—C1—Fe1	70.3 (4)
C6—Fe1—C9	69.5 (3)	P1—C1—Fe1	123.6 (3)
C5—Fe1—C9	137.9 (3)	C21—C22—C17	120.6 (6)
C7—Fe1—C9	68.7 (3)	C14—C15—C16	120.1 (7)
C10—Fe1—C9	40.2 (3)	C15—C16—C11	121.0 (6)
C2—Fe1—C9	141.2 (3)	C20—C21—C22	120.1 (6)
C4—Fe1—C9	112.2 (3)	C24—C23—C28	119.0 (6)
C8—Fe1—C9	40.4 (3)	C24—C23—P2	120.8 (5)
C1—Fe1—C3	69.5 (3)	C28—C23—P2	120.0 (5)
C6—Fe1—C3	176.8 (3)	C3—C4—C5	109.1 (6)
C5—Fe1—C3	69.0 (3)	C3—C4—Fe1	70.6 (4)
C7—Fe1—C3	137.7 (3)	C5—C4—Fe1	68.7 (4)
C10—Fe1—C3	141.6 (3)	C37—C36—C35	118.0 (6)
C2—Fe1—C3	40.2 (3)	C37—C36—S2	121.2 (5)
C4—Fe1—C3	40.2 (3)	C35—C36—S2	120.8 (5)
C8—Fe1—C3	112.0 (3)	C1—C5—C4	107.4 (6)
C9—Fe1—C3	113.6 (3)	C1—C5—Fe1	68.6 (4)
C1—P1—C11	108.4 (3)	C4—C5—Fe1	70.1 (4)
C1—P1—C17	101.9 (3)	C37—C38—C39	120.1 (6)
C11—P1—C17	102.2 (3)	C28—C27—C26	121.0 (7)
C1—P1—Pt1	114.6 (2)	C29—C34—C33	119.3 (6)
C11—P1—Pt1	113.2 (2)	C29—C30—C31	119.9 (7)
C17—P1—Pt1	115.2 (2)	C19—C18—C17	121.1 (6)
C36—S2—Pt1	104.4 (2)	C32—C33—C34	119.6 (7)
C6—P2—C23	101.0 (3)	C15—C14—C13	119.8 (7)
C6—P2—C29	101.6 (3)	C25—C26—C27	120.0 (6)
C23—P2—C29	103.9 (3)	C26—C25—C24	119.1 (7)
C6—P2—Pt1	122.5 (2)	C25—C24—C23	121.3 (7)
C23—P2—Pt1	114.9 (2)	C27—C28—C23	119.4 (6)
C29—P2—Pt1	110.7 (2)	C13—C12—C11	121.4 (7)
C35—S1—Pt1	105.1 (2)	C31—C32—C33	121.4 (7)
C8—C7—C6	108.5 (7)	C2—C3—C4	107.8 (7)
C8—C7—Fe1	70.8 (4)	C2—C3—Fe1	69.0 (4)
C6—C7—Fe1	68.9 (4)	C4—C3—Fe1	69.1 (4)
C9—C10—C6	110.2 (7)	C12—C13—C14	119.8 (7)
C9—C10—Fe1	71.1 (4)	C32—C31—C30	119.7 (6)
C6—C10—Fe1	69.0 (4)	Cl1—C42—Cl2	108.7 (3)
C10—C9—C8	107.5 (7)	C21—C20—C19	120.8 (6)
C10—C9—Fe1	68.7 (4)	C20—C19—C18	119.0 (6)

Experimental details

Crystal data
Chemical formula	[Pt(C₃₄H₂₈FeP₂)(C₇H₆S₂)]·CH₂Cl₂
M_r	988.61
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	173
a, b, c (Å)	14.539 (1), 14.550 (1), 17.850 (1)
β (°)	94.550 (1)
V (Å³)	3764.1 (4)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	4.47
Crystal size (mm)	0.37 × 0.25 × 0.16

Data collection
Diffractometer	Nonius KappaCCD area-detector diffractometer
Absorption correction	Empirical (using intensity measurements) (SORTAV; Blessing, 1995)
T_min, T_max	0.264, 0.489
No. of measured, independent and observed [I > 2σ(I)] reflections	20154, 8290, 5735
R_int	0.075
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.051, 0.111, 1.04
No. of reflections	8290
No. of parameters	453
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.43, −1.93

Computer programs: COLLECT (Nonius, 2000), SCALEPACK (Otwinowski & Minor,1997), SCALEPACK, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), PLATON (Spek, 1997), PLATON.

Selected geometric parameters (Å, º) top

Pt1—P1	2.2835 (16)	Pt1—S1	2.3058 (15)
Pt1—P2	2.2956 (15)	Pt1—S2	2.3217 (16)

P1—Pt1—P2	97.24 (6)	P1—Pt1—S2	175.87 (5)
P1—Pt1—S1	87.92 (6)	P2—Pt1—S2	86.84 (6)
P2—Pt1—S1	174.42 (6)	S1—Pt1—S2	87.98 (6)

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[Ferrocene-1,1'-diyl­bis­(di­phenyl­phosphine-P)](toluene-3,4-di­thiol­ato)­platinum(II) di­chloro­methane solvate