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The asymmetric unit of the title compound, (C12H28N2O4)[PtCl6]·2H2O, contains one half-cation, one half-anion and one water mol­ecule, both ions lying on inversion centres. The Pt ion has an octa­hedral coordination. In the crystal structure, inter­molecular O—H...Cl, N—H...O and O—H...O hydrogen bonds result in the formation of a supra­molecular structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807042341/hk2322sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807042341/hk2322Isup2.hkl
Contains datablock I

CCDC reference: 664183

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.013 Å
  • R factor = 0.030
  • wR factor = 0.085
  • Data-to-parameter ratio = 24.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Pt1 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 13 PLAT354_ALERT_3_C Short O-H Bond (0.82A) O3 - H3D ... 0.69 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C5 - C6 ... 1.40 Ang. PLAT417_ALERT_2_C Short Inter D-H..H-D H1C .. H3D .. 2.13 Ang. PLAT482_ALERT_4_C Small D-H..A Angle Rep for N1 .. O2 .. 97.00 Deg. PLAT482_ALERT_4_C Small D-H..A Angle Rep for N1 .. O1 .. 99.00 Deg.
Alert level G PLAT794_ALERT_5_G Check Predicted Bond Valency for Pt1 (4) 3.94
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Comment top

Recently, we reported the synthesis and crystal structure of [(H2DA18C6)Cl2], (II), (Yousefi et al., 2007) [where H2DA18C6 is 1,10 –Diazonia-18-crown-6]. Several proton transfer systems using 1,10-diaza-18 -crown-6, with proton donor molecules,such as [(H2DA18C6)I2·2H2O], (III), (Chekhlov, 2005), [(H2DA18C6)(C2HO4)2], (IV), and [(H2DA18C6)2(C2O4)2·2H2O], (V), (Chekhlov, 2000), [(H2DA18C6)(picrate)2], (VI), (Chekhlov, 2001), [(H2DA18C6)(HPTD)2], (VII), (Simonov et al., 2003), [(H2DA18C6)(PD)2·(H2O)4], (VIII), and [(H2DA18C6)(PS)2·(H2O)2], (IX), (Fonari et al., 2004), [(H2DA18C6)(CCl3COO)2(CCl3COOH)2], (X), (Chekhlov et al., 1994), [(H2DA18C6)(CCl3COO)2], (XI), (Chekhlov & Martynov, 1998), and {[H2DA18C6][(ArSO2)2N]2}, (XII), (Moers et al., 2000) [where H2DA18C6 is 1,10-Diazonia-18-crown-6, C2O4 is oxalate, HPTD is (4Z,5E)-pyrimidine-2,4,5,6(1H,3H)-tetraone 4,5-dioxime anion, PD is 2-(2-methylphenyl)-2H-[1,2,3]triazolo[4,5-d] pyrimidine-5,7(4H,6H)-dione 3-oxide anion, PS is 6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl- sulfamate and (ArSO2)2N is bis(4-chlorobenzenesulfonyl)imide] have been synthesized and characterized by single-crystal X-ray diffraction methods.

There are also several proton transfer systems using H2[PtCl6] with proton acceptor molecules, such as [HpyBr-3]2[PtCl6]·2H2O, (XIII), and [HpyI-3]2[PtCl6]·2H2O, (XIV), (Zordan & Brammer, 2004), [BMIM]2[PtCl6], (XV), and [EMIM]2[PtCl6], (XVI), (Hasan et al., 2001), {(DABCO)H2[PtCl6]}, (XVI), (Juan et al., 1998), {p-C6H4 (CH2ImMe)2[PtCl6]}, (XVIII), (Li & Liu, 2003), [het][PtCl6]·2H2O, (XIX), (Hu et al., 2003), [9-MeGuaH]2[PtCl6]·2H2O, (XX), (Terzis & Mentzafos, 1983) and [H10[30]aneN10][PtCl6]2Cl6·2H2O, (XXI), (Bencini et al., 1992) [Where BMIM+ is 1-n-butyl-3-methylimidazolium, EMIM+ is 1-ethyl-3-methyl- imidazolium, DABCO is 1,4-diazabicyclooctane, het is 2-(?-hydroxyethyl) thiamine and 9-MeGuaH is 9-methylguaninium] have been synthesized and characterized by single-crystal X-ray diffraction methods. We report herein the synthesis and crystal structure of the title compound, (I).

The asymmetric unit of (I), (Fig. 1), contains one half-cation, one half-anion and one water molecule. The Pt ion has an octahedral coordination. The bond lengths and angles, in cation, are in good agreement with the corresponding values in (II) and (III). Also, the Pt—Cl bond lengths and angles (Table 1) are within normal ranges, as in [H10[30]ane][PtCl6]2Cl6·2H2O, (XXII), (Bencini et al., 1992).

In the crystal structure, the intermolecular O—H···Cl, N—H···O and O—H···O hydrogen bonds (Table 2) seem to be effective in the stabilization of the crystal structure, resulting in the formation of a supramolecular structure (Fig. 2).

Related literature top

For related literature, see: Bencini et al. (1992); Chekhlov (2000, 2001, 2005); Chekhlov & Martynov (1998); Chekhlov et al. (1994); Fonari et al. (2004); Hasan et al. (2001); Hu et al. (2003); Juan et al. (1998); Li & Liu (2003); Moers et al. (2000); Simonov et al. (2003); Terzis & Mentzafos (1983); Yousefi et al. (2007); Zordan & Brammer (2004).

Experimental top

For the preparation of the title compound, (I), a solution of 1,10-diaza-18 -crown-6 (0.10 g, 0.37 mmol) in water (50 ml) was added to a solution of H2PtCl6·2H2O (0.20 g, 0.37 mmol) in water (30 ml) and the resulting yellow solution was stirred for 30 min at 333 K. Then, it was left to evaporate slowly at room temperature. After 24 h, yellow prismatic crystals of (I) were isolated (yield; 0.22 g, 84%, m.p. 470–472 K).

Refinement top

H3C and H3D (for OH2) were located in difference syntheses and refined isotropically [O—H = 0.69 (10) and 0.79 (7) Å and Uiso(H) = 0.062 (19) and 0.08 (3) Å2]. The remaining H atoms were positioned geometrically, with N—H = 0.90 Å and C—H = 0.97 Å for methylene H, and constrained to ride on their parent atoms, with Uiso(H) = 1.2Ueq(C,N).

Structure description top

Recently, we reported the synthesis and crystal structure of [(H2DA18C6)Cl2], (II), (Yousefi et al., 2007) [where H2DA18C6 is 1,10 –Diazonia-18-crown-6]. Several proton transfer systems using 1,10-diaza-18 -crown-6, with proton donor molecules,such as [(H2DA18C6)I2·2H2O], (III), (Chekhlov, 2005), [(H2DA18C6)(C2HO4)2], (IV), and [(H2DA18C6)2(C2O4)2·2H2O], (V), (Chekhlov, 2000), [(H2DA18C6)(picrate)2], (VI), (Chekhlov, 2001), [(H2DA18C6)(HPTD)2], (VII), (Simonov et al., 2003), [(H2DA18C6)(PD)2·(H2O)4], (VIII), and [(H2DA18C6)(PS)2·(H2O)2], (IX), (Fonari et al., 2004), [(H2DA18C6)(CCl3COO)2(CCl3COOH)2], (X), (Chekhlov et al., 1994), [(H2DA18C6)(CCl3COO)2], (XI), (Chekhlov & Martynov, 1998), and {[H2DA18C6][(ArSO2)2N]2}, (XII), (Moers et al., 2000) [where H2DA18C6 is 1,10-Diazonia-18-crown-6, C2O4 is oxalate, HPTD is (4Z,5E)-pyrimidine-2,4,5,6(1H,3H)-tetraone 4,5-dioxime anion, PD is 2-(2-methylphenyl)-2H-[1,2,3]triazolo[4,5-d] pyrimidine-5,7(4H,6H)-dione 3-oxide anion, PS is 6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl- sulfamate and (ArSO2)2N is bis(4-chlorobenzenesulfonyl)imide] have been synthesized and characterized by single-crystal X-ray diffraction methods.

There are also several proton transfer systems using H2[PtCl6] with proton acceptor molecules, such as [HpyBr-3]2[PtCl6]·2H2O, (XIII), and [HpyI-3]2[PtCl6]·2H2O, (XIV), (Zordan & Brammer, 2004), [BMIM]2[PtCl6], (XV), and [EMIM]2[PtCl6], (XVI), (Hasan et al., 2001), {(DABCO)H2[PtCl6]}, (XVI), (Juan et al., 1998), {p-C6H4 (CH2ImMe)2[PtCl6]}, (XVIII), (Li & Liu, 2003), [het][PtCl6]·2H2O, (XIX), (Hu et al., 2003), [9-MeGuaH]2[PtCl6]·2H2O, (XX), (Terzis & Mentzafos, 1983) and [H10[30]aneN10][PtCl6]2Cl6·2H2O, (XXI), (Bencini et al., 1992) [Where BMIM+ is 1-n-butyl-3-methylimidazolium, EMIM+ is 1-ethyl-3-methyl- imidazolium, DABCO is 1,4-diazabicyclooctane, het is 2-(?-hydroxyethyl) thiamine and 9-MeGuaH is 9-methylguaninium] have been synthesized and characterized by single-crystal X-ray diffraction methods. We report herein the synthesis and crystal structure of the title compound, (I).

The asymmetric unit of (I), (Fig. 1), contains one half-cation, one half-anion and one water molecule. The Pt ion has an octahedral coordination. The bond lengths and angles, in cation, are in good agreement with the corresponding values in (II) and (III). Also, the Pt—Cl bond lengths and angles (Table 1) are within normal ranges, as in [H10[30]ane][PtCl6]2Cl6·2H2O, (XXII), (Bencini et al., 1992).

In the crystal structure, the intermolecular O—H···Cl, N—H···O and O—H···O hydrogen bonds (Table 2) seem to be effective in the stabilization of the crystal structure, resulting in the formation of a supramolecular structure (Fig. 2).

For related literature, see: Bencini et al. (1992); Chekhlov (2000, 2001, 2005); Chekhlov & Martynov (1998); Chekhlov et al. (1994); Fonari et al. (2004); Hasan et al. (2001); Hu et al. (2003); Juan et al. (1998); Li & Liu (2003); Moers et al. (2000); Simonov et al. (2003); Terzis & Mentzafos (1983); Yousefi et al. (2007); Zordan & Brammer (2004).

Computing details top

Data collection: X-AREA (Stoe & Cie, 2005); cell refinement: X-AREA (Stoe & Cie, 2005); data reduction: X-RED (Stoe & Cie, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. [symmetry codes: (a) 1 - x, 2 - y, 1 - z; (b) -x, 2 - y, -z].
[Figure 2] Fig. 2. A partial packing diagram of (I). Hydrogen bonds are shown as dashed lines.
1,10-Diazonia-18-crown-6 hexachloridoplatinate(IV) dihydrate top
Crystal data top
(C12H28N2O4)[PtCl6]·2H2OF(000) = 692
Mr = 708.18Dx = 1.972 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2000 reflections
a = 9.3668 (12) Åθ = 2.4–29.3°
b = 12.5688 (11) ŵ = 6.59 mm1
c = 10.9546 (15) ÅT = 298 K
β = 112.384 (9)°Prism, yellow
V = 1192.5 (3) Å30.25 × 0.18 × 0.10 mm
Z = 2
Data collection top
Stoe IPDS II
diffractometer
3168 independent reflections
Radiation source: fine-focus sealed tube2493 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
Detector resolution: 0.15 mm pixels mm-1θmax = 29.3°, θmin = 2.4°
rotation method scansh = 1212
Absorption correction: numerical
(X-RED; Stoe & Cie, 2005)
k = 1713
Tmin = 0.250, Tmax = 0.510l = 1015
8277 measured reflections
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)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.085H atoms treated by a mixture of independent and constrained refinement
S = 1.22 w = 1/[σ2(Fo2) + (0.0394P)2 + 0.839P]
where P = (Fo2 + 2Fc2)/3
3168 reflections(Δ/σ)max = 0.011
132 parametersΔρmax = 1.27 e Å3
0 restraintsΔρmin = 0.66 e Å3
Crystal data top
(C12H28N2O4)[PtCl6]·2H2OV = 1192.5 (3) Å3
Mr = 708.18Z = 2
Monoclinic, P21/cMo Kα radiation
a = 9.3668 (12) ŵ = 6.59 mm1
b = 12.5688 (11) ÅT = 298 K
c = 10.9546 (15) Å0.25 × 0.18 × 0.10 mm
β = 112.384 (9)°
Data collection top
Stoe IPDS II
diffractometer
3168 independent reflections
Absorption correction: numerical
(X-RED; Stoe & Cie, 2005)
2493 reflections with I > 2σ(I)
Tmin = 0.250, Tmax = 0.510Rint = 0.036
8277 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0300 restraints
wR(F2) = 0.085H atoms treated by a mixture of independent and constrained refinement
S = 1.22Δρmax = 1.27 e Å3
3168 reflectionsΔρmin = 0.66 e Å3
132 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
xyzUiso*/Ueq
C10.3080 (7)0.8830 (6)0.0359 (7)0.074 (2)
H1A0.35260.92810.04120.089*
H1B0.39070.85760.06110.089*
C20.2280 (7)0.7913 (5)0.0044 (7)0.0660 (17)
H2A0.18290.74700.08220.079*
H2B0.30250.74860.06430.079*
C30.0327 (10)0.7382 (5)0.0851 (8)0.086 (2)
H3A0.10640.70910.16670.103*
H3B0.00380.68220.01920.103*
C40.1087 (10)0.7764 (6)0.1067 (9)0.088 (2)
H4A0.18320.80600.02570.105*
H4B0.15690.71780.13420.105*
C50.1737 (10)0.8963 (8)0.2511 (10)0.097 (3)
H5B0.23070.83730.26760.116*
H5A0.11970.93160.33480.116*
C60.2797 (11)0.9680 (9)0.1662 (12)0.108 (3)
H6A0.35050.99190.20610.130*
H6B0.33930.93260.08380.130*
N10.1050 (5)0.8269 (3)0.0404 (5)0.0515 (10)
H1C0.14560.87350.10720.062*
H1D0.03170.86120.02640.062*
O10.2010 (5)0.9412 (4)0.1400 (5)0.0696 (12)
O20.0603 (5)0.8538 (4)0.2044 (5)0.0697 (11)
O30.1170 (5)1.0429 (4)0.1461 (4)0.0531 (9)
H3C0.199 (8)1.060 (6)0.197 (7)0.062 (19)*
H3D0.076 (12)1.015 (6)0.176 (11)0.08 (3)*
Pt10.50001.00000.50000.03249 (8)
Cl10.54112 (16)1.13900 (10)0.64977 (13)0.0528 (3)
Cl20.45210 (13)1.12134 (10)0.32866 (12)0.0489 (3)
Cl30.23954 (13)0.99812 (10)0.46689 (13)0.0476 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.051 (3)0.095 (5)0.075 (4)0.013 (3)0.023 (3)0.023 (4)
C20.067 (4)0.061 (3)0.060 (4)0.030 (3)0.013 (3)0.000 (3)
C30.165 (8)0.035 (3)0.073 (4)0.007 (4)0.064 (5)0.004 (3)
C40.113 (6)0.075 (5)0.080 (5)0.045 (4)0.043 (5)0.011 (4)
C50.103 (6)0.115 (7)0.103 (6)0.013 (5)0.074 (6)0.014 (6)
C60.072 (5)0.143 (8)0.131 (9)0.000 (5)0.063 (6)0.036 (7)
N10.065 (3)0.038 (2)0.050 (2)0.0104 (18)0.019 (2)0.0004 (18)
O10.061 (2)0.071 (3)0.092 (3)0.012 (2)0.044 (2)0.007 (3)
O20.082 (3)0.053 (2)0.090 (3)0.005 (2)0.051 (3)0.000 (2)
O30.044 (2)0.063 (2)0.046 (2)0.0040 (18)0.0101 (17)0.002 (2)
Pt10.03113 (11)0.03264 (11)0.03280 (11)0.00666 (8)0.01116 (8)0.00084 (10)
Cl10.0654 (7)0.0460 (6)0.0518 (7)0.0157 (5)0.0276 (6)0.0151 (5)
Cl20.0440 (6)0.0511 (7)0.0459 (6)0.0080 (5)0.0106 (5)0.0102 (5)
Cl30.0354 (5)0.0533 (6)0.0552 (6)0.0044 (4)0.0183 (4)0.0045 (6)
Geometric parameters (Å, º) top
Pt1—Cl2i2.3257 (12)C2—H2A0.9700
Pt1—Cl22.3257 (12)C2—H2B0.9700
Pt1—Cl32.3259 (12)C3—N11.482 (8)
Pt1—Cl3i2.3259 (12)C3—C41.509 (12)
Pt1—Cl1i2.3262 (12)C3—H3A0.9700
Pt1—Cl12.3262 (12)C3—H3B0.9700
O1—C6ii1.444 (11)C4—O21.389 (9)
O3—H3C0.79 (7)C4—H4A0.9700
O3—H3D0.69 (10)C4—H4B0.9700
N1—H1C0.9000C5—C61.400 (13)
N1—H1D0.9000C5—O21.446 (9)
C1—O11.404 (8)C5—H5B0.9700
C1—C21.485 (10)C5—H5A0.9700
C1—H1A0.9700C6—O1ii1.444 (11)
C1—H1B0.9700C6—H6A0.9700
C2—N11.483 (8)C6—H6B0.9700
Cl2i—Pt1—Cl2180N1—C2—C1111.5 (5)
Cl2i—Pt1—Cl389.30 (4)N1—C2—H2A109.3
Cl2—Pt1—Cl390.70 (4)C1—C2—H2A109.3
Cl2i—Pt1—Cl3i90.70 (4)N1—C2—H2B109.3
Cl2—Pt1—Cl3i89.30 (4)C1—C2—H2B109.3
Cl3—Pt1—Cl3i180H2A—C2—H2B108.0
Cl2i—Pt1—Cl1i90.34 (5)N1—C3—C4110.6 (5)
Cl2—Pt1—Cl1i89.66 (5)N1—C3—H3A109.5
Cl3—Pt1—Cl1i90.02 (5)C4—C3—H3A109.5
Cl3i—Pt1—Cl1i89.98 (5)N1—C3—H3B109.5
Cl2i—Pt1—Cl189.66 (5)C4—C3—H3B109.5
Cl2—Pt1—Cl190.34 (5)H3A—C3—H3B108.1
Cl3—Pt1—Cl189.98 (5)O2—C4—C3107.2 (6)
Cl3i—Pt1—Cl190.02 (5)O2—C4—H4A110.3
Cl1i—Pt1—Cl1180C3—C4—H4A110.3
C1—O1—C6ii108.3 (6)O2—C4—H4B110.3
C4—O2—C5117.6 (6)C3—C4—H4B110.3
H3C—O3—H3D112 (10)H4A—C4—H4B108.5
C3—N1—C2113.1 (5)C6—C5—O2115.7 (7)
C3—N1—H1C109.0C6—C5—H5B108.4
C2—N1—H1C109.0O2—C5—H5B108.4
C3—N1—H1D109.0C6—C5—H5A108.4
C2—N1—H1D109.0O2—C5—H5A108.4
H1C—N1—H1D107.8H5B—C5—H5A107.4
O1—C1—C2109.1 (5)C5—C6—O1ii110.8 (7)
O1—C1—H1A109.9C5—C6—H6A109.5
C2—C1—H1A109.9O1ii—C6—H6A109.5
O1—C1—H1B109.9C5—C6—H6B109.5
C2—C1—H1B109.9O1ii—C6—H6B109.5
H1A—C1—H1B108.3H6A—C6—H6B108.1
O1—C1—C2—N162.0 (7)C1—C2—N1—C3174.4 (6)
N1—C3—C4—O261.1 (8)C2—C1—O1—C6ii178.1 (7)
O2—C5—C6—O1ii59.2 (13)C3—C4—O2—C5174.7 (6)
C4—C3—N1—C2170.2 (6)C6—C5—O2—C475.3 (10)
Symmetry codes: (i) x+1, y+2, z+1; (ii) x, y+2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1C···O20.902.552.803 (9)97
N1—H1C···O30.902.212.936 (7)138
N1—H1D···O10.902.572.852 (8)99
O3—H3C···Cl20.79 (6)2.39 (6)3.169 (4)173 (7)
O3—H3D···O20.69 (13)2.48 (10)3.103 (7)152 (10)
N1—H1D···O3ii0.901.932.817 (6)169
O3—H3D···O1ii0.69 (13)2.53 (12)2.961 (7)123 (12)
Symmetry code: (ii) x, y+2, z.

Experimental details

Crystal data
Chemical formula(C12H28N2O4)[PtCl6]·2H2O
Mr708.18
Crystal system, space groupMonoclinic, P21/c
Temperature (K)298
a, b, c (Å)9.3668 (12), 12.5688 (11), 10.9546 (15)
β (°) 112.384 (9)
V3)1192.5 (3)
Z2
Radiation typeMo Kα
µ (mm1)6.59
Crystal size (mm)0.25 × 0.18 × 0.10
Data collection
DiffractometerStoe IPDS II
Absorption correctionNumerical
(X-RED; Stoe & Cie, 2005)
Tmin, Tmax0.250, 0.510
No. of measured, independent and
observed [I > 2σ(I)] reflections
8277, 3168, 2493
Rint0.036
(sin θ/λ)max1)0.688
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.030, 0.085, 1.22
No. of reflections3168
No. of parameters132
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)1.27, 0.66

Computer programs: X-AREA (Stoe & Cie, 2005), X-RED (Stoe & Cie, 2005), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEP-3 for Windows (Farrugia, 1997), WinGX (Farrugia, 1999).

Selected geometric parameters (Å, º) top
Pt1—Cl2i2.3257 (12)Pt1—Cl3i2.3259 (12)
Pt1—Cl22.3257 (12)Pt1—Cl1i2.3262 (12)
Pt1—Cl32.3259 (12)Pt1—Cl12.3262 (12)
Cl2i—Pt1—Cl2180Cl3—Pt1—Cl1i90.02 (5)
Cl2i—Pt1—Cl389.30 (4)Cl3i—Pt1—Cl1i89.98 (5)
Cl2i—Pt1—Cl3i90.70 (4)Cl2i—Pt1—Cl189.66 (5)
Cl2—Pt1—Cl3i89.30 (4)Cl2—Pt1—Cl190.34 (5)
Cl3—Pt1—Cl3i180Cl3—Pt1—Cl189.98 (5)
Cl2i—Pt1—Cl1i90.34 (5)Cl3i—Pt1—Cl190.02 (5)
Cl2—Pt1—Cl1i89.66 (5)Cl1i—Pt1—Cl1180
Symmetry code: (i) x+1, y+2, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1C···O20.902.552.803 (9)97
N1—H1C···O30.902.212.936 (7)138
N1—H1D···O10.902.572.852 (8)99
O3—H3C···Cl20.79 (6)2.39 (6)3.169 (4)173 (7)
O3—H3D···O20.69 (13)2.48 (10)3.103 (7)152 (10)
N1—H1D···O3ii0.901.932.817 (6)169
O3—H3D···O1ii0.69 (13)2.53 (12)2.961 (7)123 (12)
Symmetry code: (ii) x, y+2, z.
 

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