Diacridinium hexa-chloridoplatinate(IV) dihydrate.

The asymmetric unit of the title compound, (C(13)H(10)N)(2)[PtCl(6)]·2H(2)O, contains a protonated acridine cation, one half of a [PtCl(6)](2-) dianionic complex and a solvent water mol-ecule. The octa-hedral [PtCl(6)](2-) dianion is located on an inversion centre. π-π inter-actions between neighboring acridinium cations produce stacks along the a axis; the shortest distance between the centroids of the six-membered rings within the cations is 3.553 (9) Å. In the crystal, two independent inter-molecular O-H⋯Cl hydrogen bonds, both involving the same Cl atom of the anion as acceptor, give rise to chains also running along the a axis; in addition each water mol-ecule, as a hydrogen-bond acceptor, is linked to the acridinium N-H group.

Related literature

For related acridinium salts, see: Hafiz (2006 ▶); Veldhuizen et al. (1997 ▶). For the crystal structures of [PtCl6]2− complexes, see: Karaca et al. (2009 ▶); Yousefi et al. (2007 ▶); Zordan & Brammer (2004 ▶).

Experimental

Crystal data

(C13H10N)2[PtCl6]·2H2O

M = 804.26

Triclinic,

a = 7.4781 (8) Å

b = 9.8973 (10) Å

c = 10.7226 (12) Å

α = 70.675 (2)°

β = 71.505 (2)°

γ = 77.862 (2)°

V = 705.29 (13) Å3

Z = 1

Mo Kα radiation

μ = 5.57 mm−1

T = 200 K

0.24 × 0.20 × 0.06 mm

Data collection

Bruker SMART 1000 CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.577, T max = 1.000

4295 measured reflections

2725 independent reflections

2536 reflections with I > 2σ(I)

R int = 0.029

Refinement

R[F 2 > 2σ(F 2)] = 0.059

wR(F 2) = 0.174

S = 1.21

2725 reflections

169 parameters

H-atom parameters constrained

Δρmax = 1.99 e Å−3

Δρmin = −2.96 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810009566/ya2119sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810009566/ya2119Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

(C13H10N)2[PtCl6]·2H2O	Z = 1
Mr = 804.26	F(000) = 390
Triclinic, P1	Dx = 1.894 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.4781 (8) Å	Cell parameters from 2945 reflections
b = 9.8973 (10) Å	θ = 2.6–26.0°
c = 10.7226 (12) Å	µ = 5.57 mm−1
α = 70.675 (2)°	T = 200 K
β = 71.505 (2)°	Plate, orange
γ = 77.862 (2)°	0.24 × 0.20 × 0.06 mm
V = 705.29 (13) Å3

Bruker SMART 1000 CCD diffractometer	2725 independent reflections
Radiation source: fine-focus sealed tube	2536 reflections with I > 2σ(I)
graphite	Rint = 0.029
φ and ω scans	θmax = 26.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −9→8
Tmin = 0.577, Tmax = 1.000	k = −12→12
4295 measured reflections	l = −13→9

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)] = 0.059	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.174	H-atom parameters constrained
S = 1.21	w = 1/[σ2(Fo2) + (0.0248P)2 + 22.3646P] where P = (Fo2 + 2Fc2)/3
2725 reflections	(Δ/σ)max < 0.001
169 parameters	Δρmax = 1.99 e Å−3
0 restraints	Δρmin = −2.96 e Å−3

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 > 2sigma(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.

	x	y	z	Uiso*/Ueq
Pt1	0.5000	0.5000	0.0000	0.0289 (2)
Cl1	0.1916 (4)	0.4938 (3)	0.1558 (3)	0.0282 (7)
Cl2	0.3696 (4)	0.5171 (3)	−0.1801 (3)	0.0289 (7)
Cl3	0.5401 (5)	0.2446 (3)	0.0506 (3)	0.0315 (7)
N1	0.8227 (15)	0.1042 (13)	0.3453 (12)	0.035 (3)
H1	0.8630	0.1656	0.2645	0.042*
C1	0.8023 (17)	0.1451 (13)	0.4598 (13)	0.027 (3)
C2	0.842 (2)	0.2841 (15)	0.4478 (15)	0.035 (3)
H2	0.8838	0.3500	0.3600	0.043*
C3	0.820 (2)	0.3208 (17)	0.5619 (18)	0.047 (4)
H3	0.8465	0.4130	0.5553	0.056*
C4	0.758 (2)	0.2231 (18)	0.6908 (16)	0.046 (4)
H4	0.7445	0.2515	0.7699	0.055*
C5	0.716 (2)	0.0926 (16)	0.7086 (16)	0.040 (3)
H5	0.6727	0.0301	0.7982	0.048*
C6	0.7368 (19)	0.0490 (15)	0.5907 (16)	0.037 (3)
C7	0.694 (2)	−0.0880 (15)	0.6011 (14)	0.036 (3)
H7	0.6495	−0.1540	0.6883	0.043*
C8	0.7195 (18)	−0.1244 (15)	0.4794 (14)	0.032 (3)
C9	0.678 (2)	−0.2605 (15)	0.4860 (15)	0.038 (3)
H9	0.6376	−0.3289	0.5724	0.045*
C10	0.698 (2)	−0.2930 (16)	0.3666 (16)	0.040 (3)
H10	0.6665	−0.3824	0.3696	0.049*
C11	0.765 (2)	−0.1910 (17)	0.2399 (17)	0.047 (4)
H11	0.7788	−0.2149	0.1582	0.057*
C12	0.810 (2)	−0.0609 (17)	0.2278 (15)	0.040 (3)
H12	0.8583	0.0039	0.1405	0.048*
C13	0.784 (2)	−0.0259 (14)	0.3493 (16)	0.037 (3)
O1	0.0214 (17)	0.2503 (13)	0.0838 (11)	0.054 (3)
H1A	−0.0687	0.3001	0.0522	0.081*
H1B	0.1071	0.2824	0.0970	0.081*

	U11	U22	U33	U12	U13	U23
Pt1	0.0362 (4)	0.0291 (4)	0.0234 (4)	−0.0105 (3)	−0.0078 (3)	−0.0060 (3)
Cl1	0.0281 (16)	0.0351 (17)	0.0217 (14)	−0.0124 (13)	0.0031 (12)	−0.0124 (13)
Cl2	0.0365 (17)	0.0379 (17)	0.0221 (15)	−0.0061 (13)	−0.0158 (13)	−0.0125 (13)
Cl3	0.049 (2)	0.0154 (14)	0.0234 (15)	−0.0030 (13)	−0.0029 (13)	−0.0041 (12)
N1	0.024 (6)	0.043 (7)	0.039 (7)	−0.006 (5)	−0.008 (5)	−0.012 (5)
C1	0.023 (6)	0.027 (6)	0.028 (7)	−0.013 (5)	0.003 (5)	−0.007 (5)
C2	0.036 (8)	0.036 (8)	0.038 (8)	0.004 (6)	−0.018 (6)	−0.012 (6)
C3	0.042 (9)	0.035 (8)	0.072 (12)	−0.001 (7)	−0.024 (8)	−0.018 (8)
C4	0.049 (9)	0.055 (10)	0.046 (9)	0.014 (8)	−0.017 (7)	−0.036 (8)
C5	0.038 (8)	0.042 (8)	0.040 (8)	−0.001 (6)	−0.008 (6)	−0.016 (7)
C6	0.028 (7)	0.034 (7)	0.052 (9)	0.010 (6)	−0.017 (6)	−0.017 (7)
C7	0.036 (8)	0.035 (7)	0.032 (7)	0.003 (6)	−0.012 (6)	−0.006 (6)
C8	0.024 (7)	0.039 (8)	0.039 (8)	0.002 (5)	−0.015 (6)	−0.019 (6)
C9	0.040 (8)	0.027 (7)	0.042 (8)	−0.003 (6)	−0.016 (7)	0.000 (6)
C10	0.043 (8)	0.037 (8)	0.051 (9)	−0.006 (6)	−0.019 (7)	−0.017 (7)
C11	0.056 (10)	0.048 (9)	0.051 (10)	0.015 (8)	−0.027 (8)	−0.031 (8)
C12	0.032 (8)	0.047 (9)	0.039 (8)	0.010 (6)	−0.007 (6)	−0.020 (7)
C13	0.034 (8)	0.024 (7)	0.053 (9)	0.012 (6)	−0.018 (7)	−0.012 (6)
O1	0.052 (7)	0.064 (8)	0.039 (6)	−0.005 (6)	−0.008 (5)	−0.012 (6)

Pt1—Cl2i	2.370 (3)	C5—C6	1.42 (2)
Pt1—Cl2	2.370 (3)	C5—H5	0.9500
Pt1—Cl3i	2.377 (3)	C6—C7	1.42 (2)
Pt1—Cl3	2.377 (3)	C7—C8	1.412 (19)
Pt1—Cl1i	2.379 (3)	C7—H7	0.9500
Pt1—Cl1	2.379 (3)	C8—C13	1.42 (2)
N1—C13	1.362 (18)	C8—C9	1.418 (19)
N1—C1	1.370 (17)	C9—C10	1.38 (2)
N1—H1	0.8800	C9—H9	0.9500
C1—C6	1.411 (19)	C10—C11	1.41 (2)
C1—C2	1.424 (18)	C10—H10	0.9500
C2—C3	1.34 (2)	C11—C12	1.36 (2)
C2—H2	0.9500	C11—H11	0.9500
C3—C4	1.40 (2)	C12—C13	1.40 (2)
C3—H3	0.9500	C12—H12	0.9500
C4—C5	1.33 (2)	O1—H1A	0.8400
C4—H4	0.9500	O1—H1B	0.8400
Cl2i—Pt1—Cl2	180.0	C3—C4—H4	118.2
Cl2i—Pt1—Cl3i	89.44 (11)	C4—C5—C6	118.4 (15)
Cl2—Pt1—Cl3i	90.56 (11)	C4—C5—H5	120.8
Cl2i—Pt1—Cl3	90.56 (11)	C6—C5—H5	120.8
Cl2—Pt1—Cl3	89.44 (11)	C1—C6—C7	119.4 (13)
Cl3i—Pt1—Cl3	180.00 (16)	C1—C6—C5	118.8 (13)
Cl2i—Pt1—Cl1i	90.27 (11)	C7—C6—C5	121.8 (14)
Cl2—Pt1—Cl1i	89.73 (11)	C8—C7—C6	118.7 (13)
Cl3i—Pt1—Cl1i	90.55 (11)	C8—C7—H7	120.6
Cl3—Pt1—Cl1i	89.45 (11)	C6—C7—H7	120.6
Cl2i—Pt1—Cl1	89.73 (11)	C7—C8—C13	120.8 (13)
Cl2—Pt1—Cl1	90.27 (11)	C7—C8—C9	120.3 (13)
Cl3i—Pt1—Cl1	89.45 (11)	C13—C8—C9	118.9 (12)
Cl3—Pt1—Cl1	90.55 (11)	C10—C9—C8	119.7 (13)
Cl1i—Pt1—Cl1	180.00 (10)	C10—C9—H9	120.1
C13—N1—C1	123.9 (12)	C8—C9—H9	120.1
C13—N1—H1	118.0	C9—C10—C11	118.7 (13)
C1—N1—H1	118.0	C9—C10—H10	120.6
N1—C1—C6	119.2 (11)	C11—C10—H10	120.6
N1—C1—C2	120.8 (12)	C12—C11—C10	123.9 (14)
C6—C1—C2	119.9 (12)	C12—C11—H11	118.1
C3—C2—C1	119.3 (14)	C10—C11—H11	118.1
C3—C2—H2	120.4	C11—C12—C13	117.3 (15)
C1—C2—H2	120.4	C11—C12—H12	121.4
C2—C3—C4	119.9 (14)	C13—C12—H12	121.4
C2—C3—H3	120.0	N1—C13—C12	120.7 (14)
C4—C3—H3	120.0	N1—C13—C8	117.9 (13)
C5—C4—C3	123.7 (14)	C12—C13—C8	121.4 (13)
C5—C4—H4	118.2	H1A—O1—H1B	125.9
C13—N1—C1—C6	−0.4 (19)	C6—C7—C8—C13	−1(2)
C13—N1—C1—C2	−178.9 (12)	C6—C7—C8—C9	180.0 (12)
N1—C1—C2—C3	179.7 (13)	C7—C8—C9—C10	177.9 (13)
C6—C1—C2—C3	1(2)	C13—C8—C9—C10	−1(2)
C1—C2—C3—C4	0(2)	C8—C9—C10—C11	2(2)
C2—C3—C4—C5	−1(2)	C9—C10—C11—C12	−1(2)
C3—C4—C5—C6	1(2)	C10—C11—C12—C13	−2(2)
N1—C1—C6—C7	0.3 (19)	C1—N1—C13—C12	−179.3 (12)
C2—C1—C6—C7	178.8 (12)	C1—N1—C13—C8	−0.1 (19)
N1—C1—C6—C5	−179.8 (12)	C11—C12—C13—N1	−178.5 (13)
C2—C1—C6—C5	−1.3 (19)	C11—C12—C13—C8	2(2)
C4—C5—C6—C1	0(2)	C7—C8—C13—N1	0.6 (19)
C4—C5—C6—C7	−179.7 (14)	C9—C8—C13—N1	179.9 (12)
C1—C6—C7—C8	0.2 (19)	C7—C8—C13—C12	179.8 (13)
C5—C6—C7—C8	−179.7 (13)	C9—C8—C13—C12	−1(2)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O1ii	0.88	1.94	2.782 (16)	161
O1—H1A···Cl1iii	0.84	2.74	3.485 (12)	149
O1—H1B···Cl1	0.84	2.62	3.342 (12)	145

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯O1i	0.88	1.94	2.782 (16)	161
O1—H1A⋯Cl1ii	0.84	2.74	3.485 (12)	149
O1—H1B⋯Cl1	0.84	2.62	3.342 (12)	145

Symmetry codes: (i) ; (ii) .