(Acetato-κO)(2,2′-bipyridine-κ2N,N′)trimethyl­platinum(IV) monohydrate

Vetter, C.; Wagner, C.; Steinborn, D.

doi:10.1107/S160053681000499X

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 3| March 2010| Page m286

doi:10.1107/S160053681000499X

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(Acetato-κO)(2,2′-bipyridine-κ²N,N′)trimethylplatinum(IV) monohydrate

Cornelia Vetter,^a Christoph Wagner ^a and Dirk Steinborn ^a ^*

^aAnorganische Chemie, Institut für Chemie, Martin-Luther-Universität, Kurt-Mothes-Strasse 2, Halle-Wittenberg, D-06120 Halle, Germany
^*Correspondence e-mail: dirk.steinborn@chemie.uni-halle.de

(Received 25 January 2010; accepted 8 February 2010; online 13 February 2010)

In the title hydrate, [Pt(CH₃)₃(CH₃COO)(C₁₀H₈N₂)]·H₂O, the Pt^IV atom exhibits a distorted octahedral coordination geometry built up by three methyl ligands in a facial arrangement, a bipyridine ligand and a monodentately bound acetate ligand. In the crystal structure, intermolecular O—H⋯O hydrogen bonds are observed between the water molecule and the platinum complex, which link the molecules into chains along the c axis.

Related literature

For ligand-substitution reactions of platinum complexes, see: Vetter et al. (2006 ); Clegg et al. (1972 ); Lindner et al. (2008 ); Steinborn & Junicke (2000 ). For a description of the Cambridge Structural Database, see: Allen (2002 ).

Experimental

Crystal data

[Pt(CH₃)₃(C₂H₃O₂)(C₁₀H₈N₂)]·H₂O
M_r = 473.44
Monoclinic, P 2₁ /c
a = 10.972 (3) Å
b = 13.455 (3) Å
c = 13.768 (3) Å
β = 125.05 (3)°
V = 1663.9 (8) Å³
Z = 4
Mo Kα radiation
μ = 8.44 mm⁻¹
T = 293 K
0.48 × 0.34 × 0.24 mm

Data collection

Stoe STADI-IV diffractometer
Absorption correction: ψ scan (X-RED32; Stoe & Cie, 1996 ) T_min = 0.031, T_max = 0.089
4494 measured reflections
2931 independent reflections
2455 reflections with I > 2σ(I)
R_int = 0.031
2 standard reflections every 60 min intensity decay: random, +−5%

Refinement

R[F² > 2σ(F²)] = 0.040
wR(F²) = 0.119
S = 1.06
2931 reflections
199 parameters
2 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 1.61 e Å⁻³
Δρ_min = −1.79 e Å⁻³

Table 1
Selected geometric parameters (Å, °)

C1—Pt1	2.036 (10)
C2—Pt1	2.041 (11)
C3—Pt1	2.032 (9)
N1—Pt1	2.161 (7)
N2—Pt1	2.152 (7)
O1—Pt1	2.168 (6)

C1—Pt1—C2	85.1 (5)
C1—Pt1—N2	99.9 (4)
C2—Pt1—N2	174.8 (5)
C1—Pt1—N1	176.5 (4)
C2—Pt1—N1	98.2 (4)
N2—Pt1—N1	76.7 (3)
C3—Pt1—O1	176.2 (4)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H22⋯O1	0.88 (11)	1.96 (11)	2.836 (12)	172 (15)
O3—H21⋯O2ⁱ	0.85 (9)	1.96 (10)	2.810 (14)	177 (11)
Symmetry code: (i) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: STADI4 (Stoe & Cie, 1996); cell refinement: STADI4; data reduction: STADI4; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2001 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681000499X/tk2621sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S160053681000499X/tk2621Isup2.hkl

checkCIF report

Comment top

Due to the low-spin d⁶ electron configuration of platinum(IV), ligand substitution reactions of their complexes may be hampered. Starting from complexes having a PtMe₃ unit (Vetter et al., 2006; Clegg et al., 1972; Lindner et al., 2008), substitution reactions were found to proceed smoothly even with weak donors (Steinborn & Junicke, 2000) because the leaving ligand is additionally activated by the high trans effect exerted by the methyl ligand.

The asymmetric unit of the title hydrate comprises a neutral platinum complex, [PtMe₃(OAc-κO)(bpy)], and a water molecule. The primary coordination sphere of the platinum atom is built up by three methyl ligands in facial binding fashion, a bipyridine ligand and a monodentately bound acetato ligand. As expected for Pt(IV) complexes, an octahedral coordination geometry was found, which is distorted due to the restricted bite of the 2,2'-bipyridine ligand [N1—Pt1—N2 76.7 (3)°]; the other angles between cis arranged ligands are between 85.1 (5) and 99.9 (4)°. Due to the high trans influence of the methyl ligands the Pt1—O1 bond was found to be relatively long (2.168 (6) Å) compared to those of other carboxylato platinum(IV) [median: 2.013, lower/upper quartile: 2.001/2.044 Å, 496 observations taken from the CSD, version 5.30 (Allen, 2002)]. In the crystal structure quite strong intermolecular O—H···O hydrogen bonds were found in which the water molecules act as hydrogen donors and the oxygen atoms of acetato ligand as hydrogen acceptors (Table 1). Due to these hydrogen bonds the molecules are linked in infinite chains along the c axis.

Related literature top

For ligand-substitution reactions of platinum complexes, see: Vetter et al. (2006); Clegg et al.(1972); Lindner et al. (2008); Steinborn & Junicke (2000). For a description of the Cambridge Structural Database, see: Allen (2002).

Experimental top

Under anaerobic conditions [(PtMe₃I)₄] (50 mg, 0.03 mmol) and AgOAc (23 mg, 0.14 mmol) were stirred in acetone (10 ml) for 15 h in the absence of light. The precipitated AgI was filtered off and the solvent was reduced in vacuo to 3 ml. Then n-pentane was added and the white precipitate was collected by filtration, washed with n-pentane (2 × 1 ml) and recrystallized from chloroform.

Computing details top

Data collection: STADI4 (Stoe & Cie, 1996); cell refinement: STADI4 (Stoe & Cie, 1996); data reduction: STADI4 (Stoe & Cie, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

Fig. 1. Structure of the asymmetric unit of the title hydrate [PtMe₃(OAc-κO)(bpy)].H₂O. Displacement ellipsoids are drawn at the 30% probability level and the H atoms are shown as small spheres of arbitrary radii.

(Acetato-κO)(2,2'-bipyridine-κ²N,N')trimethylplatinum(IV) monohydrate top

Crystal data top

[Pt(CH₃)₃(C₂H₃O₂)(C₁₀H₈N₂)]·H₂O	F(000) = 912
M_r = 473.44	D_x = 1.890 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 26 reflections
a = 10.972 (3) Å	θ = 15.1–25.2°
b = 13.455 (3) Å	µ = 8.44 mm⁻¹
c = 13.768 (3) Å	T = 293 K
β = 125.05 (3)°	Block, orange
V = 1663.9 (8) Å³	0.48 × 0.34 × 0.24 mm
Z = 4

Data collection top

Stoe STADI-IV diffractometer	2455 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.031
Graphite monochromator	θ_max = 25.0°, θ_min = 2.3°
ω/2θ scans	h = −13→13
Absorption correction: ψ scan (X-RED32; Stoe & Cie, 1996)	k = −16→0
T_min = 0.031, T_max = 0.089	l = −13→16
4494 measured reflections	2 standard reflections every 60 min
2931 independent reflections	intensity decay: random, +−5%

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.040	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.119	w = 1/[σ²(F_o²) + (0.0676P)² + 4.3682P] where P = (F_o² + 2F_c²)/3
S = 1.06	(Δ/σ)_max = 0.001
2931 reflections	Δρ_max = 1.61 e Å⁻³
199 parameters	Δρ_min = −1.79 e Å⁻³
2 restraints	Extinction correction: SHELXL (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 constraints	Extinction coefficient: 0.0018 (3)
Primary atom site location: structure-invariant direct methods

Crystal data top

[Pt(CH₃)₃(C₂H₃O₂)(C₁₀H₈N₂)]·H₂O	V = 1663.9 (8) Å³
M_r = 473.44	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 10.972 (3) Å	µ = 8.44 mm⁻¹
b = 13.455 (3) Å	T = 293 K
c = 13.768 (3) Å	0.48 × 0.34 × 0.24 mm
β = 125.05 (3)°

Data collection top

Stoe STADI-IV diffractometer	2455 reflections with I > 2σ(I)
Absorption correction: ψ scan (X-RED32; Stoe & Cie, 1996)	R_int = 0.031
T_min = 0.031, T_max = 0.089	2 standard reflections every 60 min
4494 measured reflections	intensity decay: random, +−5%
2931 independent reflections

Refinement top

R[F² > 2σ(F²)] = 0.040	2 restraints
wR(F²) = 0.119	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	Δρ_max = 1.61 e Å⁻³
2931 reflections	Δρ_min = −1.79 e Å⁻³
199 parameters

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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
C1	−0.0620 (12)	0.7592 (8)	0.1850 (9)	0.072 (3)
H1	−0.0535	0.7673	0.1198	0.087*
H3	−0.1629	0.7714	0.1584	0.087*
H2	−0.0345	0.6926	0.2150	0.087*
C2	−0.0048 (12)	0.7967 (10)	0.4045 (11)	0.081 (3)
H6	0.0412	0.8284	0.4804	0.097*
H5	0.0170	0.7269	0.4158	0.097*
H4	−0.1106	0.8063	0.3591	0.097*
C3	−0.0935 (11)	0.9574 (8)	0.2409 (10)	0.069 (3)
H9	−0.0603	1.0175	0.2869	0.083*
H8	−0.1760	0.9304	0.2387	0.083*
H7	−0.1241	0.9718	0.1616	0.083*
C4	0.3091 (10)	0.7018 (7)	0.3608 (9)	0.058 (2)
C5	0.4295 (13)	0.6271 (9)	0.4412 (12)	0.081 (4)
H11	0.4636	0.5950	0.3986	0.098*
H10	0.3899	0.5782	0.4667	0.098*
H12	0.5113	0.6608	0.5091	0.098*
C6	0.2491 (12)	0.9787 (10)	0.5540 (9)	0.077 (3)
H13	0.2051	0.9358	0.5784	0.093*
C7	0.3426 (14)	1.0548 (11)	0.6304 (10)	0.092 (4)
H14	0.3583	1.0638	0.7038	0.110*
C8	0.4096 (15)	1.1153 (11)	0.5953 (15)	0.098 (5)
H15	0.4738	1.1652	0.6454	0.117*
C9	0.3823 (12)	1.1025 (9)	0.4859 (13)	0.085 (4)
H16	0.4276	1.1437	0.4611	0.102*
C10	0.2869 (9)	1.0279 (7)	0.4123 (9)	0.058 (2)
C11	0.2542 (10)	1.0116 (7)	0.2937 (9)	0.057 (2)
C12	0.3080 (12)	1.0709 (9)	0.2434 (14)	0.085 (4)
H17	0.3648	1.1271	0.2829	0.102*
C13	0.2752 (16)	1.0446 (13)	0.1327 (15)	0.098 (5)
H18	0.3103	1.0832	0.0975	0.117*
C14	0.1935 (17)	0.9642 (12)	0.0776 (12)	0.091 (4)
H19	0.1719	0.9459	0.0041	0.109*
C15	0.1410 (13)	0.9078 (9)	0.1301 (9)	0.069 (3)
H20	0.0846	0.8514	0.0911	0.083*
N1	0.2221 (8)	0.9665 (5)	0.4471 (6)	0.0486 (16)
N2	0.1687 (8)	0.9318 (6)	0.2344 (6)	0.0525 (17)
O1	0.2551 (7)	0.7497 (5)	0.4062 (6)	0.0615 (17)
O2	0.2727 (10)	0.7105 (7)	0.2563 (8)	0.089 (2)
O3	0.4338 (10)	0.7587 (8)	0.6577 (9)	0.088 (3)
H21	0.382 (12)	0.767 (9)	0.685 (10)	0.07 (4)*
H22	0.379 (15)	0.763 (12)	0.580 (10)	0.12 (6)*
Pt1	0.07572 (3)	0.85719 (3)	0.31606 (3)	0.04758 (19)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.077 (7)	0.052 (6)	0.069 (7)	−0.020 (5)	0.031 (6)	0.003 (5)
C2	0.070 (6)	0.095 (9)	0.094 (8)	0.007 (6)	0.057 (6)	0.031 (7)
C3	0.057 (5)	0.067 (7)	0.075 (7)	0.015 (5)	0.033 (5)	0.015 (5)
C4	0.058 (5)	0.050 (5)	0.066 (6)	0.001 (4)	0.036 (5)	0.008 (5)
C5	0.071 (7)	0.076 (8)	0.100 (9)	0.017 (6)	0.050 (7)	0.004 (6)
C6	0.075 (7)	0.102 (9)	0.054 (6)	0.018 (6)	0.036 (5)	−0.005 (6)
C7	0.079 (8)	0.108 (11)	0.054 (6)	0.023 (8)	0.018 (6)	−0.027 (7)
C8	0.069 (8)	0.082 (9)	0.107 (12)	−0.003 (6)	0.030 (8)	−0.035 (8)
C9	0.055 (6)	0.068 (7)	0.103 (10)	−0.002 (5)	0.029 (6)	−0.020 (7)
C10	0.043 (4)	0.049 (5)	0.073 (6)	0.009 (4)	0.027 (4)	−0.003 (4)
C11	0.055 (5)	0.055 (6)	0.072 (6)	0.018 (4)	0.042 (5)	0.017 (5)
C12	0.066 (6)	0.070 (7)	0.134 (12)	0.007 (6)	0.067 (7)	0.031 (8)
C13	0.095 (9)	0.120 (13)	0.116 (12)	0.016 (8)	0.083 (9)	0.047 (10)
C14	0.106 (9)	0.121 (12)	0.079 (8)	0.039 (9)	0.072 (8)	0.037 (8)
C15	0.088 (7)	0.078 (7)	0.058 (6)	0.014 (6)	0.051 (6)	0.003 (5)
N1	0.048 (4)	0.051 (4)	0.048 (4)	0.009 (3)	0.029 (3)	0.006 (3)
N2	0.056 (4)	0.058 (4)	0.052 (4)	0.008 (4)	0.036 (3)	0.009 (4)
O1	0.063 (4)	0.062 (4)	0.055 (4)	0.014 (3)	0.032 (3)	0.006 (3)
O2	0.108 (6)	0.095 (6)	0.084 (6)	0.025 (5)	0.067 (5)	0.014 (5)
O3	0.070 (5)	0.118 (8)	0.068 (5)	−0.001 (5)	0.035 (5)	0.014 (5)
Pt1	0.0491 (2)	0.0487 (3)	0.0473 (3)	0.00074 (14)	0.02902 (18)	0.00514 (14)

Geometric parameters (Å, º) top

C1—Pt1	2.036 (10)	C7—H14	0.9300
C1—H1	0.9600	C8—C9	1.37 (2)
C1—H3	0.9600	C8—H15	0.9300
C1—H2	0.9600	C9—C10	1.382 (15)
C2—Pt1	2.041 (11)	C9—H16	0.9300
C2—H6	0.9600	C10—N1	1.345 (13)
C2—H5	0.9600	C10—C11	1.474 (15)
C2—H4	0.9600	C11—N2	1.349 (13)
C3—Pt1	2.032 (9)	C11—C12	1.391 (15)
C3—H9	0.9600	C12—C13	1.40 (2)
C3—H8	0.9600	C12—H17	0.9300
C3—H7	0.9600	C13—C14	1.33 (2)
C4—O2	1.258 (13)	C13—H18	0.9300
C4—O1	1.259 (12)	C14—C15	1.381 (17)
C4—C5	1.518 (14)	C14—H19	0.9300
C5—H11	0.9600	C15—N2	1.326 (12)
C5—H10	0.9600	C15—H20	0.9300
C5—H12	0.9600	N1—Pt1	2.161 (7)
C6—N1	1.335 (13)	N2—Pt1	2.152 (7)
C6—C7	1.403 (18)	O1—Pt1	2.168 (6)
C6—H13	0.9300	O3—H21	0.85 (9)
C7—C8	1.36 (2)	O3—H22	0.88 (11)

Pt1—C1—H1	109.5	N1—C10—C11	117.4 (8)
Pt1—C1—H3	109.5	C9—C10—C11	121.4 (11)
H1—C1—H3	109.5	N2—C11—C12	120.2 (11)
Pt1—C1—H2	109.5	N2—C11—C10	115.6 (8)
H1—C1—H2	109.5	C12—C11—C10	124.2 (11)
H3—C1—H2	109.5	C11—C12—C13	118.7 (13)
Pt1—C2—H6	109.5	C11—C12—H17	120.6
Pt1—C2—H5	109.5	C13—C12—H17	120.6
H6—C2—H5	109.5	C14—C13—C12	119.7 (12)
Pt1—C2—H4	109.5	C14—C13—H18	120.2
H6—C2—H4	109.5	C12—C13—H18	120.2
H5—C2—H4	109.5	C13—C14—C15	119.7 (13)
Pt1—C3—H9	109.5	C13—C14—H19	120.1
Pt1—C3—H8	109.5	C15—C14—H19	120.1
H9—C3—H8	109.5	N2—C15—C14	121.9 (12)
Pt1—C3—H7	109.5	N2—C15—H20	119.1
H9—C3—H7	109.5	C14—C15—H20	119.1
H8—C3—H7	109.5	C6—N1—C10	119.3 (9)
O2—C4—O1	126.2 (9)	C6—N1—Pt1	126.3 (8)
O2—C4—C5	117.9 (10)	C10—N1—Pt1	114.4 (6)
O1—C4—C5	116.0 (10)	C15—N2—C11	119.8 (9)
C4—C5—H11	109.5	C15—N2—Pt1	124.8 (8)
C4—C5—H10	109.5	C11—N2—Pt1	115.4 (6)
H11—C5—H10	109.5	C4—O1—Pt1	126.0 (6)
C4—C5—H12	109.5	H21—O3—H22	112 (10)
H11—C5—H12	109.5	C3—Pt1—C1	89.0 (5)
H10—C5—H12	109.5	C3—Pt1—C2	89.2 (5)
N1—C6—C7	121.4 (13)	C1—Pt1—C2	85.1 (5)
N1—C6—H13	119.3	C3—Pt1—N2	89.6 (4)
C7—C6—H13	119.3	C1—Pt1—N2	99.9 (4)
C8—C7—C6	118.8 (13)	C2—Pt1—N2	174.8 (5)
C8—C7—H14	120.6	C3—Pt1—N1	89.8 (4)
C6—C7—H14	120.6	C1—Pt1—N1	176.5 (4)
C7—C8—C9	119.7 (13)	C2—Pt1—N1	98.2 (4)
C7—C8—H15	120.1	N2—Pt1—N1	76.7 (3)
C9—C8—H15	120.1	C3—Pt1—O1	176.2 (4)
C8—C9—C10	119.6 (14)	C1—Pt1—O1	92.5 (4)
C8—C9—H16	120.2	C2—Pt1—O1	87.4 (4)
C10—C9—H16	120.2	N2—Pt1—O1	93.6 (3)
N1—C10—C9	121.2 (11)	N1—Pt1—O1	88.9 (3)

N1—C6—C7—C8	−1.9 (18)	C12—C11—N2—Pt1	−173.8 (7)
C6—C7—C8—C9	2 (2)	C10—C11—N2—Pt1	7.6 (9)
C7—C8—C9—C10	−0.1 (19)	O2—C4—O1—Pt1	3.0 (15)
C8—C9—C10—N1	−1.1 (16)	C5—C4—O1—Pt1	−177.2 (7)
C8—C9—C10—C11	179.9 (10)	C15—N2—Pt1—C3	−92.8 (8)
N1—C10—C11—N2	−4.0 (12)	C11—N2—Pt1—C3	83.5 (7)
C9—C10—C11—N2	175.0 (9)	C15—N2—Pt1—C1	−3.8 (9)
N1—C10—C11—C12	177.5 (9)	C11—N2—Pt1—C1	172.4 (6)
C9—C10—C11—C12	−3.5 (14)	C15—N2—Pt1—N1	177.3 (8)
N2—C11—C12—C13	−1.7 (15)	C11—N2—Pt1—N1	−6.4 (6)
C10—C11—C12—C13	176.7 (10)	C15—N2—Pt1—O1	89.3 (8)
C11—C12—C13—C14	0.2 (19)	C11—N2—Pt1—O1	−94.5 (6)
C12—C13—C14—C15	0 (2)	C6—N1—Pt1—C3	93.0 (9)
C13—C14—C15—N2	0.5 (18)	C10—N1—Pt1—C3	−85.4 (7)
C7—C6—N1—C10	0.7 (15)	C6—N1—Pt1—C2	3.8 (9)
C7—C6—N1—Pt1	−177.7 (8)	C10—N1—Pt1—C2	−174.6 (6)
C9—C10—N1—C6	0.8 (13)	C6—N1—Pt1—N2	−177.4 (8)
C11—C10—N1—C6	179.8 (8)	C10—N1—Pt1—N2	4.2 (6)
C9—C10—N1—Pt1	179.3 (7)	C6—N1—Pt1—O1	−83.4 (8)
C11—C10—N1—Pt1	−1.7 (10)	C10—N1—Pt1—O1	98.2 (6)
C14—C15—N2—C11	−2.0 (15)	C4—O1—Pt1—C1	53.9 (8)
C14—C15—N2—Pt1	174.0 (8)	C4—O1—Pt1—C2	138.9 (9)
C12—C11—N2—C15	2.6 (13)	C4—O1—Pt1—N2	−46.2 (8)
C10—C11—N2—C15	−176.0 (8)	C4—O1—Pt1—N1	−122.8 (8)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O3—H22···O1	0.88 (11)	1.96 (11)	2.836 (12)	172 (15)
O3—H21···O2ⁱ	0.85 (9)	1.96 (10)	2.810 (14)	177 (11)

Symmetry code: (i) x, −y+3/2, z+1/2.

Experimental details

Crystal data
Chemical formula	[Pt(CH₃)₃(C₂H₃O₂)(C₁₀H₈N₂)]·H₂O
M_r	473.44
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	10.972 (3), 13.455 (3), 13.768 (3)
β (°)	125.05 (3)
V (Å³)	1663.9 (8)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	8.44
Crystal size (mm)	0.48 × 0.34 × 0.24

Data collection
Diffractometer	Stoe STADI-IV diffractometer
Absorption correction	ψ scan (X-RED32; Stoe & Cie, 1996)
T_min, T_max	0.031, 0.089
No. of measured, independent and observed [I > 2σ(I)] reflections	4494, 2931, 2455
R_int	0.031
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.040, 0.119, 1.06
No. of reflections	2931
No. of parameters	199
No. of restraints	2
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	1.61, −1.79

Computer programs: STADI4 (Stoe & Cie, 1996), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2001).

Selected geometric parameters (Å, º) top

C1—Pt1	2.036 (10)	C4—O1	1.259 (12)
C2—Pt1	2.041 (11)	N1—Pt1	2.161 (7)
C3—Pt1	2.032 (9)	N2—Pt1	2.152 (7)
C4—O2	1.258 (13)	O1—Pt1	2.168 (6)

O2—C4—O1	126.2 (9)	C1—Pt1—N1	176.5 (4)
C1—Pt1—C2	85.1 (5)	C2—Pt1—N1	98.2 (4)
C1—Pt1—N2	99.9 (4)	N2—Pt1—N1	76.7 (3)
C2—Pt1—N2	174.8 (5)	C3—Pt1—O1	176.2 (4)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O3—H22···O1	0.88 (11)	1.96 (11)	2.836 (12)	172 (15)
O3—H21···O2ⁱ	0.85 (9)	1.96 (10)	2.810 (14)	177 (11)

Symmetry code: (i) x, −y+3/2, z+1/2.

References

Allen, F. H. (2002). Acta Cryst. B58, 380–388. Web of Science CrossRef CAS IUCr Journals Google Scholar
Brandenburg, K. (2001). DIAMOND. Crystal Impact GbR. Bonn, Germany. Google Scholar
Clegg, D. E., Hall, J. R. & Swile, G. A. (1972). J. Organomet. Chem. 38, 403–420. CrossRef CAS Web of Science Google Scholar
Lindner, R., Kaluđerović, G. N., Paschke, R., Wagner, C. & Steinborn, D. (2008). Polyhedron, 27, 914–922. Web of Science CSD CrossRef CAS Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Steinborn, D. & Junicke, H. (2000). Chem. Rev. 100, 4283–4317. Web of Science CrossRef PubMed CAS Google Scholar
Stoe & Cie (1996). STADI4 and X-RED32. Stoe & Cie GmbH. Darmstadt, Germany. Google Scholar
Vetter, C., Wagner, C., Schmidt, J. & Steinborn, D. (2006). Inorg. Chim. Acta, 359, 4326–4334. Web of Science CSD CrossRef CAS Google Scholar

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Volume 66| Part 3| March 2010| Page m286

doi:10.1107/S160053681000499X

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