cis-[1,3-Bis­(di­phenyl­phosphino)­propane]­dibromo­platinum(II)

Morgan, J.L.; Robinson, B.H.; Simpson, J.

doi:10.1107/S1600536802015428

Buy article online - an online subscription or single-article purchase is required to access this article.

cis-[1,3-Bis(diphenylphosphino)propane]dibromoplatinum(II)

J. L. Morgan, B. H. Robinson and J. Simpson

In the title compound, [PtBr₂(C₂₇H₂₆P₂)], the molecule adopts a distorted square-planar metal coordination, with the six-membered metallocyclic ring in a twist-boat conformation.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802015428/ac6013sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536802015428/ac6013Isup2.hkl Contains datablock I

CCDC reference: 198290

checkCIF report

Key indicators

Single-crystal X-ray study
T = 168 K
Mean (C-C) = 0.014 Å
R factor = 0.046
wR factor = 0.114
Data-to-parameter ratio = 17.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced
          by the scaled T values. Since the ratio of scaled T's is
          identical to the ratio of reported T values, the scaling does
          not imply a change to the absorption corrections used in the
          study.
          Ratio of Tmax expected/reported      0.072
          Tmax scaled      0.072 Tmin scaled      0.046

Comment top

The title compound, cis-[PtBr₂(dppp)₂], (I), [dppp is 1,3-bis(diphenylphosphino)propane] was prepared, unexpectedly, from the reaction between the corresponding trifluoromethylsulfonate complex cis-[Pt(CF₃SO₃)₂(dppp)] with Re(CO)₃(DAAD)₂Br (DAAD is 2,6-diazaanthracene-9,10-dione; Morgan et al., 2002). The molecular structure of cis-[PtBr₂(dppp)] has the Pt atom in a slightly distorted square-planar environment (Fig. 1). The two bromo ligands are in a cis configuration, imposed by the chelating dppp ligand. This is similar to the structures found for the chloro analogue cis-[PtCl₂(dppp)], (II) (Robertson & Wickramasinghe, 1987), and the isomorphous palladium complex cis-[PdCl₂(dppp)], (III) (Steffen & Palenik, 1976).

Distortion in the square-planar Pt coordination sphere is signalled by angles about Pt ranging from 88.12 (4) to 91.95 (6)°. (Table 1). The r.m.s. deviation from the Br₂PtP₂ plane is 0.089 Å, with P2 showing the largest deviation of 0.1133 (8) Å. The angle between the PtP₂ and PtBr₂ planes is 8.01 (5)°. Similar distortions were found in (II) (Robertson et al., 1987) and have been attributed to steric strain within the chelating ligand (Steffen et al., 1976). This is further indicated by the significant variations from tetrahedral angles observed in the alkyl chain of the dppp moiety. Torsion angles around the six-membered Pt—P—C—C—C—P chelate ring are consistent with a twist-boat conformation.

Relatively few structures of square planar Pt^II complexes with a PtBr₂P₂ ligand set have been reported. The data suggest that Pt—Br bond lengths trans to the P atoms of bidentate phosphine ligands are generally longer than those in cis-PtBr₂(monodentate phosphine)₂ structures (Sembiring et al., 1999; Bhattacharyya et al., 1996) or for trans-[PtBr₂P₂] complexes (Messmer & Amma, 1966; Cameron et al., 1990). The Pt—Br and Pt—P bond lengths observed for (I) are within the anticipated ranges (Orpen et al., 1989). Furthermore, the Pt—P distances are identical within experimental error, while the Pt—Br distances differ [2.4951 (9) and 2.4855 (10) Å], mirroring the bond-length variations observed in (II) (Robertson et al., 1987) and (III) (Steffen et al., 1976). The Pt—Br distances observed for (I) are also similar to those found for the previously reported cis-PtBr₂(bidentate phosphine) structures (Wilson et al., 1994; Sevillano et al., 2000).

Molecules of (I) are reasonably well separated in the unit cell, with the shortest intermolecular contact not involving H atoms being for C6···C24ⁱ of 3.4765 (9) Å [symmetry code: (i) x, y − 1, z]. The shortest contact involving the Br atoms is H8···Br2ⁱⁱ [H8···Br2ⁱⁱ 2.875 (1), C8···Br2 3.770 (1) Å and C8—H8···Br2 157.5 (2)°; symmetry code: (ii) x + 1, y − 1, z].

Experimental top

Re(CO)₃(DAAD)₂Br (115 mg, 0.15 mmol) and cis-[Pt(CF₃SO₃)₂(dppp)] (135 mg, 0.15 mmol) were dissolved in dichloromethane (30 ml). The solution was stirred for 20 h at ambient temperature. The orange precipitate was filtered off and washed with dichloromethane, hexane, diethyl ether and ethyl acetate. Crystallization was achieved in d₆-DMSO over a period of months at ambient temperature.

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997) and TITAN2000 (Hunter & Simpson, 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997) and TITAN2000); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Figures top

Fig. 1. Perspective drawing of the title molecule, showing the atom-numbering scheme and displacement ellipsoids drawn at the 50% probability level. H atoms are drawn as circles with arbitrary radii.

cis-[1,3-Bis(diphenylphosphino)propane]dibromoplatinum(II) top

Crystal data top

[PtBr₂(C₂₇H₂₆P₂)]	Z = 2
M_r = 767.33	F(000) = 732
Triclinic, P1	D_x = 1.994 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.709 (2) Å	Cell parameters from 5652 reflections
b = 10.760 (3) Å	θ = 4.9–52.7°
c = 14.429 (4) Å	µ = 8.76 mm⁻¹
α = 88.272 (3)°	T = 168 K
β = 80.296 (4)°	Block, pale brown
γ = 73.540 (3)°	0.51 × 0.33 × 0.30 mm
V = 1278.0 (6) Å³

Data collection top

Siemens SMART diffractometer	5118 independent reflections
Radiation source: fine-focus sealed tube	4792 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.036
Area–detector ω scans	θ_max = 26.4°, θ_min = 2.4°
Absorption correction: empirical (using intensity measurements) (SADABS; Bruker 1997)	h = −10→10
T_min = 0.641, T_max = 1	k = −10→13
15666 measured reflections	l = −17→17

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)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.114	H-atom parameters constrained
S = 1.23	w = 1/[σ²(F_o²) + (0.0571P)² + 9.6036P] where P = (F_o² + 2F_c²)/3
5118 reflections	(Δ/σ)_max = 0.007
289 parameters	Δρ_max = 2.38 e Å⁻³
36 restraints	Δρ_min = −4.26 e Å⁻³

Crystal data top

[PtBr₂(C₂₇H₂₆P₂)]	γ = 73.540 (3)°
M_r = 767.33	V = 1278.0 (6) Å³
Triclinic, P1	Z = 2
a = 8.709 (2) Å	Mo Kα radiation
b = 10.760 (3) Å	µ = 8.76 mm⁻¹
c = 14.429 (4) Å	T = 168 K
α = 88.272 (3)°	0.51 × 0.33 × 0.30 mm
β = 80.296 (4)°

Data collection top

Siemens SMART diffractometer	5118 independent reflections
Absorption correction: empirical (using intensity measurements) (SADABS; Bruker 1997)	4792 reflections with I > 2σ(I)
T_min = 0.641, T_max = 1	R_int = 0.036
15666 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.046	36 restraints
wR(F²) = 0.114	H-atom parameters constrained
S = 1.23	Δρ_max = 2.38 e Å⁻³
5118 reflections	Δρ_min = −4.26 e Å⁻³
289 parameters

Special details top

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

	x	y	z	U_iso*/U_eq
Br1	−0.04852 (10)	0.17292 (8)	0.77096 (6)	0.02293 (19)
Br2	−0.16107 (10)	0.50253 (8)	0.72957 (7)	0.0302 (2)
Pt1	0.10137 (3)	0.34041 (2)	0.743254 (18)	0.01006 (10)
P1	0.3214 (2)	0.19242 (18)	0.77836 (14)	0.0137 (4)
C1	0.5077 (10)	0.2460 (8)	0.7658 (6)	0.0237 (18)
H1A	0.4923	0.3154	0.8129	0.028*
H1B	0.5996	0.1724	0.7782	0.028*
C2	0.5481 (10)	0.2965 (8)	0.6671 (7)	0.0280 (19)
H2A	0.5389	0.2338	0.6210	0.034*
H2B	0.6630	0.2977	0.6570	0.034*
C3	0.4433 (10)	0.4323 (8)	0.6450 (6)	0.0223 (17)
H3A	0.4326	0.4329	0.5778	0.027*
H3B	0.5028	0.4958	0.6538	0.027*
C4	0.3920 (10)	0.0441 (8)	0.7085 (6)	0.0231 (17)
C5	0.3284 (10)	0.0323 (8)	0.6265 (6)	0.0248 (18)
H5	0.2437	0.1013	0.6087	0.030*
C6	0.3905 (13)	−0.0814 (11)	0.5715 (8)	0.042 (3)
H6	0.3461	−0.0899	0.5170	0.050*
C7	0.5141 (14)	−0.1800 (10)	0.5953 (8)	0.042 (3)
H7	0.5553	−0.2569	0.5576	0.051*
C8	0.5791 (14)	−0.1682 (9)	0.6740 (9)	0.047 (3)
H8	0.6665	−0.2368	0.6893	0.057*
C9	0.5196 (12)	−0.0578 (9)	0.7314 (7)	0.035 (2)
H9	0.5653	−0.0516	0.7858	0.042*
C10	0.2856 (9)	0.1458 (7)	0.9005 (5)	0.0166 (15)
C11	0.2369 (11)	0.0340 (9)	0.9257 (6)	0.0273 (19)
H11	0.2314	−0.0232	0.8783	0.033*
C12	0.1966 (13)	0.0068 (10)	1.0201 (7)	0.035 (2)
H12	0.1644	−0.0693	1.0368	0.042*
C13	0.2029 (12)	0.0891 (10)	1.0893 (7)	0.035 (2)
H13	0.1735	0.0704	1.1535	0.042*
C14	0.2515 (13)	0.1983 (11)	1.0664 (7)	0.039 (2)
H14	0.2570	0.2542	1.1146	0.047*
C15	0.2934 (12)	0.2274 (10)	0.9711 (6)	0.032 (2)
H15	0.3271	0.3031	0.9553	0.038*
P2	0.2371 (2)	0.48954 (18)	0.71495 (14)	0.0145 (4)
C16	0.2601 (11)	0.5585 (9)	0.8246 (6)	0.0257 (15)
C17	0.1330 (12)	0.5758 (11)	0.9011 (7)	0.0352 (16)
H17	0.0365	0.5547	0.8946	0.042*
C18	0.1480 (13)	0.6237 (11)	0.9868 (7)	0.0406 (18)
H18	0.0610	0.6354	1.0382	0.049*
C19	0.2844 (13)	0.6536 (12)	0.9976 (8)	0.0435 (18)
H19	0.2927	0.6883	1.0558	0.052*
C20	0.4125 (14)	0.6331 (13)	0.9228 (8)	0.0499 (19)
H20	0.5112	0.6495	0.9306	0.060*
C21	0.3971 (13)	0.5889 (12)	0.8372 (8)	0.0424 (18)
H21	0.4837	0.5795	0.7858	0.051*
C22	0.1452 (10)	0.6275 (8)	0.6461 (6)	0.0196 (16)
C23	0.0915 (11)	0.7521 (8)	0.6832 (6)	0.0241 (17)
H23	0.1050	0.7685	0.7452	0.029*
C24	0.0167 (12)	0.8544 (8)	0.6284 (7)	0.031 (2)
H24	−0.0202	0.9404	0.6534	0.037*
C25	−0.0031 (12)	0.8303 (9)	0.5388 (7)	0.032 (2)
H25	−0.0536	0.9000	0.5022	0.038*
C26	0.0495 (12)	0.7060 (9)	0.5014 (6)	0.031 (2)
H26	0.0348	0.6899	0.4396	0.038*
C27	0.1240 (12)	0.6048 (9)	0.5551 (6)	0.0272 (19)
H27	0.1610	0.5191	0.5295	0.033*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Br1	0.0207 (4)	0.0228 (4)	0.0287 (4)	−0.0120 (3)	−0.0043 (3)	0.0052 (3)
Br2	0.0167 (4)	0.0233 (4)	0.0484 (6)	−0.0015 (3)	−0.0070 (4)	0.0037 (4)
Pt1	0.00866 (15)	0.01236 (15)	0.01000 (15)	−0.00438 (10)	−0.00185 (10)	0.00229 (10)
P1	0.0088 (8)	0.0150 (9)	0.0162 (9)	−0.0017 (7)	−0.0022 (7)	0.0039 (7)
C1	0.013 (4)	0.030 (4)	0.031 (5)	−0.009 (3)	−0.007 (3)	0.006 (4)
C2	0.018 (4)	0.027 (4)	0.034 (5)	−0.004 (3)	0.005 (4)	0.003 (4)
C3	0.021 (4)	0.029 (4)	0.017 (4)	−0.009 (3)	−0.001 (3)	0.003 (3)
C4	0.027 (4)	0.018 (4)	0.020 (4)	−0.005 (3)	0.006 (3)	0.003 (3)
C5	0.019 (4)	0.028 (4)	0.026 (4)	−0.004 (3)	0.000 (3)	−0.008 (4)
C6	0.035 (6)	0.046 (6)	0.040 (6)	−0.010 (5)	0.003 (5)	−0.024 (5)
C7	0.051 (7)	0.028 (5)	0.042 (6)	−0.010 (5)	0.008 (5)	−0.012 (4)
C8	0.044 (6)	0.018 (4)	0.064 (8)	0.008 (4)	0.004 (6)	0.011 (5)
C9	0.032 (5)	0.032 (5)	0.034 (5)	0.005 (4)	−0.009 (4)	0.005 (4)
C10	0.016 (4)	0.019 (4)	0.014 (4)	−0.002 (3)	−0.008 (3)	0.006 (3)
C11	0.029 (5)	0.027 (4)	0.028 (5)	−0.012 (4)	−0.006 (4)	0.003 (4)
C12	0.041 (6)	0.040 (5)	0.026 (5)	−0.017 (4)	−0.008 (4)	0.019 (4)
C13	0.034 (5)	0.050 (6)	0.022 (5)	−0.013 (4)	−0.009 (4)	0.016 (4)
C14	0.045 (6)	0.058 (6)	0.016 (4)	−0.017 (5)	−0.004 (4)	−0.001 (4)
C15	0.041 (5)	0.042 (5)	0.020 (4)	−0.024 (4)	−0.008 (4)	0.005 (4)
P2	0.0167 (9)	0.0142 (9)	0.0147 (9)	−0.0085 (7)	−0.0018 (7)	0.0026 (7)
C16	0.024 (3)	0.044 (4)	0.018 (3)	−0.022 (3)	−0.002 (3)	−0.005 (3)
C17	0.029 (3)	0.056 (4)	0.026 (3)	−0.024 (3)	0.001 (3)	−0.008 (3)
C18	0.037 (3)	0.061 (4)	0.028 (3)	−0.022 (3)	0.002 (3)	−0.010 (3)
C19	0.040 (4)	0.066 (4)	0.030 (3)	−0.020 (3)	−0.007 (3)	−0.016 (3)
C20	0.039 (4)	0.077 (4)	0.041 (4)	−0.027 (3)	−0.004 (3)	−0.018 (4)
C21	0.032 (3)	0.067 (4)	0.035 (4)	−0.027 (3)	0.001 (3)	−0.013 (3)
C22	0.022 (4)	0.023 (4)	0.018 (4)	−0.012 (3)	−0.003 (3)	0.007 (3)
C23	0.032 (5)	0.021 (4)	0.022 (4)	−0.008 (3)	−0.012 (4)	0.003 (3)
C24	0.044 (5)	0.017 (4)	0.033 (5)	−0.009 (4)	−0.015 (4)	0.007 (4)
C25	0.037 (5)	0.029 (5)	0.036 (5)	−0.015 (4)	−0.021 (4)	0.020 (4)
C26	0.045 (6)	0.037 (5)	0.020 (4)	−0.020 (4)	−0.016 (4)	0.012 (4)
C27	0.038 (5)	0.027 (4)	0.019 (4)	−0.012 (4)	−0.008 (4)	0.004 (3)

Geometric parameters (Å, º) top

Br1—Pt1	2.4951 (9)	C12—C13	1.373 (15)
Br2—Pt1	2.4855 (10)	C12—H12	0.9500
Pt1—P2	2.2384 (19)	C13—C14	1.370 (15)
Pt1—P1	2.2394 (19)	C13—H13	0.9500
P1—C4	1.809 (8)	C14—C15	1.411 (13)
P1—C10	1.818 (8)	C14—H14	0.9500
P1—C1	1.850 (8)	C15—H15	0.9500
C1—C2	1.530 (12)	P2—C22	1.827 (8)
C1—H1A	0.9900	P2—C16	1.832 (8)
C1—H1B	0.9900	C16—C21	1.364 (13)
C2—C3	1.544 (12)	C16—C17	1.401 (12)
C2—H2A	0.9900	C17—C18	1.393 (14)
C2—H2B	0.9900	C17—H17	0.9500
C3—P2	1.850 (8)	C18—C19	1.351 (15)
C3—H3A	0.9900	C18—H18	0.9500
C3—H3B	0.9900	C19—C20	1.389 (15)
C4—C9	1.400 (12)	C19—H19	0.9500
C4—C5	1.412 (12)	C20—C21	1.377 (15)
C5—C6	1.399 (12)	C20—H20	0.9500
C5—H5	0.9500	C21—H21	0.9500
C6—C7	1.363 (16)	C22—C23	1.381 (12)
C6—H6	0.9500	C22—C27	1.394 (12)
C7—C8	1.376 (17)	C23—C24	1.406 (12)
C7—H7	0.9500	C23—H23	0.9500
C8—C9	1.390 (15)	C24—C25	1.375 (13)
C8—H8	0.9500	C24—H24	0.9500
C9—H9	0.9500	C25—C26	1.379 (14)
C10—C15	1.387 (12)	C25—H25	0.9500
C10—C11	1.403 (11)	C26—C27	1.387 (12)
C11—C12	1.392 (13)	C26—H26	0.9500
C11—H11	0.9500	C27—H27	0.9500

P2—Pt1—P1	91.67 (7)	C13—C12—C11	120.5 (9)
P2—Pt1—Br2	91.95 (6)	C13—C12—H12	119.8
P1—Pt1—Br2	171.34 (5)	C11—C12—H12	119.8
P2—Pt1—Br1	178.72 (5)	C14—C13—C12	120.4 (9)
P1—Pt1—Br1	88.45 (6)	C14—C13—H13	119.8
Br2—Pt1—Br1	88.12 (4)	C12—C13—H13	119.8
C4—P1—C10	106.7 (4)	C13—C14—C15	120.0 (9)
C4—P1—C1	101.7 (4)	C13—C14—H14	120.0
C10—P1—C1	105.0 (4)	C15—C14—H14	120.0
C4—P1—Pt1	116.6 (3)	C10—C15—C14	120.2 (9)
C10—P1—Pt1	110.3 (2)	C10—C15—H15	119.9
C1—P1—Pt1	115.4 (3)	C14—C15—H15	119.9
C2—C1—P1	111.1 (6)	C22—P2—C16	105.9 (4)
C2—C1—H1A	109.4	C22—P2—C3	101.0 (4)
P1—C1—H1A	109.4	C16—P2—C3	106.4 (4)
C2—C1—H1B	109.4	C22—P2—Pt1	115.6 (3)
P1—C1—H1B	109.4	C16—P2—Pt1	111.3 (3)
H1A—C1—H1B	108.0	C3—P2—Pt1	115.6 (3)
C1—C2—C3	116.8 (7)	C21—C16—C17	118.0 (8)
C1—C2—H2A	108.1	C21—C16—P2	123.6 (7)
C3—C2—H2A	108.1	C17—C16—P2	118.3 (6)
C1—C2—H2B	108.1	C18—C17—C16	120.1 (9)
C3—C2—H2B	108.1	C18—C17—H17	119.9
H2A—C2—H2B	107.3	C16—C17—H17	119.9
C2—C3—P2	117.0 (6)	C19—C18—C17	120.9 (10)
C2—C3—H3A	108.1	C19—C18—H18	119.5
P2—C3—H3A	108.1	C17—C18—H18	119.5
C2—C3—H3B	108.1	C18—C19—C20	119.2 (10)
P2—C3—H3B	108.1	C18—C19—H19	120.4
H3A—C3—H3B	107.3	C20—C19—H19	120.4
C9—C4—C5	118.7 (8)	C21—C20—C19	120.3 (10)
C9—C4—P1	120.1 (7)	C21—C20—H20	119.9
C5—C4—P1	121.0 (6)	C19—C20—H20	119.9
C6—C5—C4	119.8 (9)	C16—C21—C20	121.5 (10)
C6—C5—H5	120.1	C16—C21—H21	119.3
C4—C5—H5	120.1	C20—C21—H21	119.3
C7—C6—C5	120.6 (10)	C23—C22—C27	119.7 (8)
C7—C6—H6	119.7	C23—C22—P2	121.6 (6)
C5—C6—H6	119.7	C27—C22—P2	118.7 (6)
C6—C7—C8	120.0 (9)	C22—C23—C24	119.4 (8)
C6—C7—H7	120.0	C22—C23—H23	120.3
C8—C7—H7	120.0	C24—C23—H23	120.3
C7—C8—C9	121.3 (10)	C25—C24—C23	120.2 (8)
C7—C8—H8	119.3	C25—C24—H24	119.9
C9—C8—H8	119.3	C23—C24—H24	119.9
C8—C9—C4	119.5 (10)	C24—C25—C26	120.7 (8)
C8—C9—H9	120.2	C24—C25—H25	119.6
C4—C9—H9	120.2	C26—C25—H25	119.6
C15—C10—C11	118.8 (8)	C25—C26—C27	119.3 (8)
C15—C10—P1	119.5 (6)	C25—C26—H26	120.3
C11—C10—P1	121.4 (6)	C27—C26—H26	120.3
C12—C11—C10	120.1 (8)	C26—C27—C22	120.7 (8)
C12—C11—H11	119.9	C26—C27—H27	119.6
C10—C11—H11	119.9	C22—C27—H27	119.6

P2—Pt1—P1—C4	−121.6 (3)	C13—C14—C15—C10	0.0 (16)
Br1—Pt1—P1—C4	57.1 (3)	C2—C3—P2—C22	−166.0 (7)
P2—Pt1—P1—C10	116.4 (3)	C2—C3—P2—C16	83.7 (7)
Br1—Pt1—P1—C10	−64.8 (3)	C2—C3—P2—Pt1	−40.5 (7)
P2—Pt1—P1—C1	−2.3 (3)	P1—Pt1—P2—C22	161.7 (3)
Br1—Pt1—P1—C1	176.4 (3)	P1—Pt1—P2—C16	−77.5 (3)
C4—P1—C1—C2	72.3 (7)	Br2—Pt1—P2—C16	94.6 (3)
C10—P1—C1—C2	−176.5 (6)	P1—Pt1—P2—C3	44.0 (3)
Pt1—P1—C1—C2	−54.9 (7)	Br2—Pt1—P2—C3	−143.9 (3)
P1—C1—C2—C3	75.5 (9)	C22—P2—C16—C21	−92.0 (10)
C1—C2—C3—P2	−24.7 (10)	C3—P2—C16—C21	14.8 (11)
C10—P1—C4—C9	−50.5 (8)	Pt1—P2—C16—C21	141.6 (9)
C1—P1—C4—C9	59.3 (8)	C22—P2—C16—C17	90.9 (9)
Pt1—P1—C4—C9	−174.3 (7)	C3—P2—C16—C17	−162.3 (8)
C10—P1—C4—C5	134.2 (7)	Pt1—P2—C16—C17	−35.5 (9)
C1—P1—C4—C5	−116.0 (7)	C21—C16—C17—C18	0.5 (17)
Pt1—P1—C4—C5	10.4 (8)	P2—C16—C17—C18	177.8 (9)
C9—C4—C5—C6	1.7 (13)	C16—C17—C18—C19	−0.3 (18)
P1—C4—C5—C6	177.1 (7)	C17—C18—C19—C20	−1.6 (19)
C4—C5—C6—C7	−1.3 (15)	C18—C19—C20—C21	3 (2)
C5—C6—C7—C8	−0.1 (17)	C17—C16—C21—C20	1.2 (18)
C6—C7—C8—C9	1.1 (17)	P2—C16—C21—C20	−175.9 (10)
C7—C8—C9—C4	−0.6 (17)	C19—C20—C21—C16	−3 (2)
C5—C4—C9—C8	−0.8 (14)	C16—P2—C22—C23	−7.0 (8)
P1—C4—C9—C8	−176.2 (8)	C3—P2—C22—C23	−117.8 (7)
C4—P1—C10—C15	154.6 (7)	Pt1—P2—C22—C23	116.7 (7)
C1—P1—C10—C15	47.2 (8)	C16—P2—C22—C27	175.3 (7)
Pt1—P1—C10—C15	−77.8 (7)	C3—P2—C22—C27	64.6 (7)
C4—P1—C10—C11	−30.7 (8)	Pt1—P2—C22—C27	−61.0 (7)
C1—P1—C10—C11	−138.1 (7)	C27—C22—C23—C24	−0.2 (13)
Pt1—P1—C10—C11	96.9 (7)	P2—C22—C23—C24	−177.9 (7)
C15—C10—C11—C12	0.4 (13)	C22—C23—C24—C25	0.2 (14)
P1—C10—C11—C12	−174.4 (7)	C23—C24—C25—C26	0.1 (15)
C10—C11—C12—C13	0.4 (15)	C24—C25—C26—C27	−0.4 (15)
C11—C12—C13—C14	−1.0 (16)	C25—C26—C27—C22	0.4 (15)
C12—C13—C14—C15	0.8 (16)	C23—C22—C27—C26	0.0 (13)
C11—C10—C15—C14	−0.6 (14)	P2—C22—C27—C26	177.7 (7)
P1—C10—C15—C14	174.3 (8)

Experimental details

Crystal data
Chemical formula	[PtBr₂(C₂₇H₂₆P₂)]
M_r	767.33
Crystal system, space group	Triclinic, P1
Temperature (K)	168
a, b, c (Å)	8.709 (2), 10.760 (3), 14.429 (4)
α, β, γ (°)	88.272 (3), 80.296 (4), 73.540 (3)
V (Å³)	1278.0 (6)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	8.76
Crystal size (mm)	0.51 × 0.33 × 0.30

Data collection
Diffractometer	Siemens SMART diffractometer
Absorption correction	Empirical (using intensity measurements) (SADABS; Bruker 1997)
T_min, T_max	0.641, 1
No. of measured, independent and observed [I > 2σ(I)] reflections	15666, 5118, 4792
R_int	0.036
(sin θ/λ)_max (Å⁻¹)	0.626

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.046, 0.114, 1.23
No. of reflections	5118
No. of parameters	289
No. of restraints	36
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	2.38, −4.26

Computer programs: SMART (Bruker, 1997), SMART, SAINT (Bruker, 1997), SHELXS97 (Sheldrick, 1997) and TITAN2000 (Hunter & Simpson, 1999), SHELXL97 (Sheldrick, 1997) and TITAN2000), ORTEP-3 (Farrugia, 1997), SHELXL97.

Selected geometric parameters (Å, º) top

Br1—Pt1	2.4951 (9)	P1—C1	1.850 (8)
Br2—Pt1	2.4855 (10)	C1—C2	1.530 (12)
Pt1—P2	2.2384 (19)	C2—C3	1.544 (12)
Pt1—P1	2.2394 (19)	C3—P2	1.850 (8)

P2—Pt1—P1	91.67 (7)	Br2—Pt1—Br1	88.12 (4)
P2—Pt1—Br2	91.95 (6)	C1—P1—Pt1	115.4 (3)
P1—Pt1—Br2	171.34 (5)	C2—C1—P1	111.1 (6)
P2—Pt1—Br1	178.72 (5)	C1—C2—C3	116.8 (7)
P1—Pt1—Br1	88.45 (6)	C2—C3—P2	117.0 (6)

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.

E-mail address*
Repeat e-mail address* (for error checking)

Format*	PDF (US $40)
	HTML (US $40)
	PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number (non-UK EC countries only)
Country*

Terms and conditions of use
Contact us

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page