Bis(2,2'-bipyridine-κN,N')dichlorido-platinum(IV) dichloride monohydrate.

In the title complex, [PtCl(2)(C(10)H(8)N(2))(2)]Cl(2)·H(2)O, the Pt(4+) ion is six-coordinated in a distorted octa-hedral environment by four N atoms from the two 2,2'-bipyridine ligands and two Cl atoms. As a result of the different trans influences of the N and Cl atoms, the Pt-N bonds trans to the Cl atom are slightly longer than those trans to the N atom. The compound displays inter-molecular hydrogen bonding between the water mol-ecule and the Cl anions. There are inter-molecular π-π inter-actions between adjacent pyridine rings, with a centroid-centroid distance of 3.962 Å.

Related literature

For related literature, see: Hambley (1986 ▶); Hojjat Kashani et al. (2008 ▶).

Experimental

Crystal data

[PtCl2(C10H8N2)2]Cl2·H2O

M = 667.27

Orthorhombic,

a = 11.1345 (12) Å

b = 11.5867 (12) Å

c = 17.0873 (19) Å

V = 2204.5 (4) Å3

Z = 4

Mo Kα radiation

μ = 6.87 mm−1

T = 293 (2) K

0.35 × 0.20 × 0.15 mm

Data collection

Bruker SMART 1000 CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.251, T max = 0.357

12649 measured reflections

4462 independent reflections

4284 reflections with I > 2σ(I)

R int = 0.017

Refinement

R[F 2 > 2σ(F 2)] = 0.016

wR(F 2) = 0.038

S = 0.84

4462 reflections

271 parameters

H-atom parameters constrained

Δρmax = 0.95 e Å−3

Δρmin = −0.53 e Å−3

Absolute structure: Flack (1983 ▶), 1901 Friedel pairs

Flack parameter: −0.006 (4)

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 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809000725/bt2846sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809000725/bt2846Isup2.hkl

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

[PtCl2(C10H8N2)2]Cl2·H2O	F(000) = 1280
Mr = 667.27	Dx = 2.011 Mg m−3
Orthorhombic, P212121	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 958 reflections
a = 11.1345 (12) Å	θ = 2.4–26.4°
b = 11.5867 (12) Å	µ = 6.87 mm−1
c = 17.0873 (19) Å	T = 293 K
V = 2204.5 (4) Å3	Stick, colorless
Z = 4	0.35 × 0.20 × 0.15 mm

Bruker SMART 1000 CCD diffractometer	4462 independent reflections
Radiation source: fine-focus sealed tube	4284 reflections with I > 2σ(I)
graphite	Rint = 0.017
φ and ω scans	θmax = 26.4°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −12→13
Tmin = 0.251, Tmax = 0.357	k = −14→14
12649 measured reflections	l = −21→16

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)] = 0.016	H-atom parameters constrained
wR(F2) = 0.038	w = 1/[σ2(Fo2)] where P = (Fo2 + 2Fc2)/3
S = 0.84	(Δ/σ)max = 0.003
4462 reflections	Δρmax = 0.95 e Å−3
271 parameters	Δρmin = −0.53 e Å−3
0 restraints	Absolute structure: Flack (1983), 1901 Friedel pairs
Primary atom site location: structure-invariant direct methods	Flack parameter: −0.006 (4)

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.

	x	y	z	Uiso*/Ueq
Pt1	0.520023 (9)	0.241999 (9)	0.124231 (6)	0.02622 (4)
Cl1	0.35373 (7)	0.12668 (7)	0.10471 (5)	0.0410 (2)
Cl2	0.40172 (7)	0.40216 (7)	0.14570 (5)	0.0394 (2)
Cl3	0.36627 (9)	0.07710 (8)	0.54638 (6)	0.0517 (2)
Cl4	0.15636 (8)	0.59942 (8)	0.20502 (5)	0.0421 (2)
N1	0.6674 (2)	0.3407 (2)	0.14792 (15)	0.0272 (6)
N2	0.5239 (2)	0.2274 (2)	0.24255 (14)	0.0290 (5)
N3	0.5272 (2)	0.2554 (2)	0.00599 (14)	0.0288 (5)
N4	0.6210 (2)	0.1002 (2)	0.09926 (15)	0.0309 (6)
C1	0.7301 (3)	0.3999 (3)	0.0943 (2)	0.0340 (7)
H1	0.7110	0.3925	0.0416	0.041*
C2	0.8225 (3)	0.4716 (3)	0.1167 (2)	0.0389 (8)
H2	0.8644	0.5140	0.0794	0.047*
C3	0.8524 (3)	0.4801 (3)	0.1945 (2)	0.0413 (8)
H3	0.9159	0.5270	0.2099	0.050*
C4	0.7876 (3)	0.4185 (3)	0.2500 (2)	0.0364 (8)
H4	0.8078	0.4227	0.3027	0.044*
C5	0.6933 (3)	0.3516 (3)	0.22561 (18)	0.0284 (7)
C6	0.6124 (3)	0.2891 (3)	0.27847 (18)	0.0282 (7)
C7	0.6188 (3)	0.2940 (3)	0.35849 (19)	0.0391 (8)
H7	0.6792	0.3364	0.3827	0.047*
C8	0.5347 (3)	0.2355 (3)	0.4032 (2)	0.0415 (8)
H8	0.5378	0.2380	0.4575	0.050*
C9	0.4458 (3)	0.1728 (3)	0.3651 (2)	0.0452 (9)
H9	0.3886	0.1327	0.3940	0.054*
C10	0.4424 (3)	0.1702 (3)	0.2852 (2)	0.0399 (8)
H10	0.3827	0.1281	0.2601	0.048*
C11	0.4779 (3)	0.3413 (3)	−0.0360 (2)	0.0386 (8)
H11	0.4407	0.4024	−0.0103	0.046*
C12	0.4818 (3)	0.3402 (3)	−0.1165 (2)	0.0453 (9)
H12	0.4465	0.3996	−0.1450	0.054*
C13	0.5380 (3)	0.2508 (3)	−0.15455 (19)	0.0413 (8)
H13	0.5409	0.2489	−0.2089	0.050*
C14	0.5907 (3)	0.1629 (3)	−0.11082 (19)	0.0371 (8)
H14	0.6302	0.1024	−0.1356	0.045*
C15	0.5836 (3)	0.1666 (3)	−0.03080 (19)	0.0294 (7)
C16	0.6334 (3)	0.0775 (3)	0.02149 (18)	0.0299 (7)
C17	0.6884 (3)	−0.0219 (3)	−0.0035 (2)	0.0404 (8)
H17	0.6942	−0.0385	−0.0566	0.048*
C18	0.7351 (3)	−0.0971 (3)	0.0517 (2)	0.0444 (9)
H18	0.7734	−0.1644	0.0357	0.053*
C19	0.7249 (3)	−0.0725 (3)	0.1296 (2)	0.0435 (8)
H19	0.7567	−0.1223	0.1669	0.052*
C20	0.6665 (3)	0.0280 (3)	0.1524 (2)	0.0366 (8)
H20	0.6589	0.0451	0.2054	0.044*
O1	0.0454 (3)	0.2475 (2)	0.37482 (18)	0.0807 (11)
H1A	0.0141	0.3103	0.4125	0.080*
H1B	−0.0004	0.1831	0.3636	0.080*

	U11	U22	U33	U12	U13	U23
Pt1	0.02736 (6)	0.02822 (6)	0.02310 (6)	−0.00141 (5)	−0.00187 (4)	0.00024 (5)
Cl1	0.0367 (4)	0.0447 (5)	0.0416 (5)	−0.0117 (4)	−0.0046 (3)	−0.0014 (4)
Cl2	0.0400 (4)	0.0375 (4)	0.0408 (5)	0.0082 (4)	−0.0011 (3)	−0.0036 (3)
Cl3	0.0656 (6)	0.0536 (6)	0.0360 (5)	−0.0087 (5)	0.0145 (4)	−0.0081 (4)
Cl4	0.0430 (5)	0.0454 (5)	0.0379 (5)	0.0001 (4)	−0.0017 (4)	−0.0040 (4)
N1	0.0243 (13)	0.0257 (13)	0.0314 (16)	−0.0014 (10)	−0.0031 (11)	0.0011 (10)
N2	0.0319 (13)	0.0301 (13)	0.0251 (13)	−0.0025 (14)	0.0013 (10)	0.0010 (10)
N3	0.0294 (13)	0.0332 (13)	0.0238 (12)	0.0022 (16)	−0.0056 (9)	0.0013 (10)
N4	0.0294 (14)	0.0309 (14)	0.0325 (15)	−0.0022 (11)	−0.0021 (11)	−0.0006 (11)
C1	0.0361 (18)	0.0362 (18)	0.0297 (18)	0.0021 (15)	0.0030 (14)	0.0024 (14)
C2	0.0323 (17)	0.0387 (18)	0.046 (2)	−0.0046 (13)	0.0074 (17)	0.0082 (17)
C3	0.0320 (18)	0.0377 (19)	0.054 (2)	−0.0076 (15)	−0.0029 (16)	−0.0009 (16)
C4	0.0338 (18)	0.042 (2)	0.033 (2)	−0.0010 (15)	−0.0042 (14)	−0.0032 (15)
C5	0.0288 (16)	0.0294 (16)	0.0271 (17)	0.0042 (13)	−0.0025 (13)	0.0009 (13)
C6	0.0277 (16)	0.0301 (15)	0.0269 (16)	0.0028 (12)	−0.0013 (12)	−0.0002 (12)
C7	0.0398 (19)	0.0493 (19)	0.0281 (19)	−0.0004 (15)	−0.0020 (14)	−0.0022 (15)
C8	0.050 (2)	0.050 (2)	0.0240 (16)	0.003 (2)	0.0016 (13)	0.0056 (14)
C9	0.058 (2)	0.0409 (19)	0.037 (2)	−0.0088 (16)	0.0134 (18)	0.0074 (16)
C10	0.047 (2)	0.0370 (18)	0.035 (2)	−0.0099 (16)	0.0033 (16)	0.0032 (14)
C11	0.044 (2)	0.0380 (17)	0.0336 (19)	0.0054 (17)	−0.0062 (16)	0.0047 (14)
C12	0.051 (2)	0.0494 (19)	0.035 (2)	0.0019 (17)	−0.0079 (18)	0.0104 (16)
C13	0.0481 (19)	0.052 (2)	0.0233 (15)	0.000 (3)	−0.0028 (13)	0.0036 (15)
C14	0.0406 (19)	0.0441 (18)	0.0267 (19)	−0.0010 (15)	0.0029 (15)	−0.0038 (14)
C15	0.0268 (16)	0.0338 (17)	0.0277 (17)	−0.0020 (13)	−0.0035 (13)	0.0011 (13)
C16	0.0288 (17)	0.0327 (17)	0.0283 (18)	−0.0023 (13)	−0.0017 (13)	−0.0008 (13)
C17	0.045 (2)	0.039 (2)	0.037 (2)	0.0053 (17)	0.0047 (15)	−0.0058 (15)
C18	0.044 (2)	0.038 (2)	0.051 (3)	0.0120 (17)	0.0043 (17)	−0.0011 (17)
C19	0.0421 (19)	0.0395 (18)	0.049 (2)	0.0079 (15)	−0.0068 (18)	0.0024 (19)
C20	0.0423 (19)	0.0386 (18)	0.0287 (18)	−0.0012 (15)	−0.0087 (15)	0.0029 (14)
O1	0.0528 (17)	0.084 (2)	0.106 (3)	−0.0042 (15)	−0.0045 (15)	−0.043 (2)

Pt1—N3	2.028 (2)	C7—H7	0.9300
Pt1—N2	2.029 (2)	C8—C9	1.389 (5)
Pt1—N4	2.037 (3)	C8—H8	0.9300
Pt1—N1	2.040 (2)	C9—C10	1.366 (5)
Pt1—Cl2	2.3051 (8)	C9—H9	0.9300
Pt1—Cl1	2.3076 (8)	C10—H10	0.9300
N1—C1	1.341 (4)	C11—C12	1.377 (5)
N1—C5	1.364 (4)	C11—H11	0.9300
N2—C10	1.339 (4)	C12—C13	1.375 (5)
N2—C6	1.364 (4)	C12—H12	0.9300
N3—C11	1.344 (4)	C13—C14	1.393 (5)
N3—C15	1.360 (4)	C13—H13	0.9300
N4—C20	1.335 (4)	C14—C15	1.370 (4)
N4—C16	1.361 (4)	C14—H14	0.9300
C1—C2	1.377 (4)	C15—C16	1.474 (4)
C1—H1	0.9300	C16—C17	1.373 (4)
C2—C3	1.373 (5)	C17—C18	1.385 (5)
C2—H2	0.9300	C17—H17	0.9300
C3—C4	1.389 (5)	C18—C19	1.367 (5)
C3—H3	0.9300	C18—H18	0.9300
C4—C5	1.370 (4)	C19—C20	1.389 (4)
C4—H4	0.9300	C19—H19	0.9300
C5—C6	1.467 (4)	C20—H20	0.9300
C6—C7	1.370 (4)	O1—H1A	1.033
C7—C8	1.385 (5)	O1—H1B	0.924
N3—Pt1—N2	176.52 (10)	C7—C6—C5	124.2 (3)
N3—Pt1—N4	80.30 (10)	C6—C7—C8	119.6 (3)
N2—Pt1—N4	97.47 (10)	C6—C7—H7	120.2
N3—Pt1—N1	97.07 (10)	C8—C7—H7	120.2
N2—Pt1—N1	80.33 (10)	C7—C8—C9	118.7 (3)
N4—Pt1—N1	92.84 (9)	C7—C8—H8	120.7
N3—Pt1—Cl2	96.85 (7)	C9—C8—H8	120.7
N2—Pt1—Cl2	85.44 (7)	C10—C9—C8	119.9 (3)
N4—Pt1—Cl2	176.91 (7)	C10—C9—H9	120.1
N1—Pt1—Cl2	88.68 (7)	C8—C9—H9	120.1
N3—Pt1—Cl1	86.10 (7)	N2—C10—C9	121.0 (3)
N2—Pt1—Cl1	96.47 (7)	N2—C10—H10	119.5
N4—Pt1—Cl1	86.88 (7)	C9—C10—H10	119.5
N1—Pt1—Cl1	176.73 (7)	N3—C11—C12	120.9 (3)
Cl2—Pt1—Cl1	91.76 (3)	N3—C11—H11	119.5
C1—N1—C5	120.5 (3)	C12—C11—H11	119.5
C1—N1—Pt1	124.8 (2)	C13—C12—C11	119.6 (3)
C5—N1—Pt1	114.53 (19)	C13—C12—H12	120.2
C10—N2—C6	120.3 (3)	C11—C12—H12	120.2
C10—N2—Pt1	124.7 (2)	C12—C13—C14	119.3 (3)
C6—N2—Pt1	114.83 (19)	C12—C13—H13	120.3
C11—N3—C15	120.2 (3)	C14—C13—H13	120.3
C11—N3—Pt1	124.9 (2)	C15—C14—C13	119.2 (3)
C15—N3—Pt1	114.88 (19)	C15—C14—H14	120.4
C20—N4—C16	120.3 (3)	C13—C14—H14	120.4
C20—N4—Pt1	124.9 (2)	N3—C15—C14	120.8 (3)
C16—N4—Pt1	114.6 (2)	N3—C15—C16	115.1 (3)
N1—C1—C2	120.6 (3)	C14—C15—C16	124.1 (3)
N1—C1—H1	119.7	N4—C16—C17	120.7 (3)
C2—C1—H1	119.7	N4—C16—C15	114.8 (3)
C3—C2—C1	119.5 (3)	C17—C16—C15	124.5 (3)
C3—C2—H2	120.2	C16—C17—C18	118.9 (3)
C1—C2—H2	120.2	C16—C17—H17	120.6
C2—C3—C4	119.9 (3)	C18—C17—H17	120.6
C2—C3—H3	120.0	C19—C18—C17	120.1 (3)
C4—C3—H3	120.0	C19—C18—H18	119.9
C5—C4—C3	118.7 (3)	C17—C18—H18	119.9
C5—C4—H4	120.6	C18—C19—C20	119.1 (3)
C3—C4—H4	120.6	C18—C19—H19	120.4
N1—C5—C4	120.7 (3)	C20—C19—H19	120.4
N1—C5—C6	115.0 (3)	N4—C20—C19	120.8 (3)
C4—C5—C6	124.2 (3)	N4—C20—H20	119.6
N2—C6—C7	120.6 (3)	C19—C20—H20	119.6
N2—C6—C5	115.2 (3)	H1A—O1—H1B	120.8
N3—Pt1—N1—C1	6.2 (3)	C3—C4—C5—C6	−175.4 (3)
N2—Pt1—N1—C1	−176.1 (3)	C10—N2—C6—C7	−0.4 (4)
N4—Pt1—N1—C1	86.8 (3)	Pt1—N2—C6—C7	174.8 (2)
Cl2—Pt1—N1—C1	−90.5 (2)	C10—N2—C6—C5	−177.7 (3)
N3—Pt1—N1—C5	−179.5 (2)	Pt1—N2—C6—C5	−2.6 (3)
N2—Pt1—N1—C5	−1.9 (2)	N1—C5—C6—N2	1.0 (4)
N4—Pt1—N1—C5	−99.0 (2)	C4—C5—C6—N2	179.9 (3)
Cl2—Pt1—N1—C5	83.7 (2)	N1—C5—C6—C7	−176.2 (3)
N4—Pt1—N2—C10	−91.0 (3)	C4—C5—C6—C7	2.7 (5)
N1—Pt1—N2—C10	177.4 (3)	N2—C6—C7—C8	0.2 (5)
Cl2—Pt1—N2—C10	87.9 (2)	C5—C6—C7—C8	177.3 (3)
Cl1—Pt1—N2—C10	−3.3 (3)	C6—C7—C8—C9	0.1 (5)
N4—Pt1—N2—C6	94.0 (2)	C7—C8—C9—C10	−0.2 (5)
N1—Pt1—N2—C6	2.4 (2)	C6—N2—C10—C9	0.3 (5)
Cl2—Pt1—N2—C6	−87.0 (2)	Pt1—N2—C10—C9	−174.4 (3)
Cl1—Pt1—N2—C6	−178.28 (19)	C8—C9—C10—N2	0.0 (5)
N4—Pt1—N3—C11	−178.1 (3)	C15—N3—C11—C12	1.1 (5)
N1—Pt1—N3—C11	−86.4 (3)	Pt1—N3—C11—C12	−176.5 (2)
Cl2—Pt1—N3—C11	3.1 (2)	N3—C11—C12—C13	−0.8 (5)
Cl1—Pt1—N3—C11	94.4 (2)	C11—C12—C13—C14	−0.3 (5)
N4—Pt1—N3—C15	4.2 (2)	C12—C13—C14—C15	1.0 (5)
N1—Pt1—N3—C15	95.9 (2)	C11—N3—C15—C14	−0.3 (4)
Cl2—Pt1—N3—C15	−174.61 (19)	Pt1—N3—C15—C14	177.5 (2)
Cl1—Pt1—N3—C15	−83.3 (2)	C11—N3—C15—C16	−179.7 (3)
N3—Pt1—N4—C20	178.5 (3)	Pt1—N3—C15—C16	−1.8 (3)
N2—Pt1—N4—C20	1.2 (3)	C13—C14—C15—N3	−0.7 (5)
N1—Pt1—N4—C20	81.8 (3)	C13—C14—C15—C16	178.6 (3)
Cl1—Pt1—N4—C20	−94.9 (3)	C20—N4—C16—C17	2.6 (5)
N3—Pt1—N4—C16	−6.0 (2)	Pt1—N4—C16—C17	−173.2 (2)
N2—Pt1—N4—C16	176.7 (2)	C20—N4—C16—C15	−177.5 (3)
N1—Pt1—N4—C16	−102.7 (2)	Pt1—N4—C16—C15	6.8 (3)
Cl1—Pt1—N4—C16	80.5 (2)	N3—C15—C16—N4	−3.3 (4)
C5—N1—C1—C2	0.8 (5)	C14—C15—C16—N4	177.4 (3)
Pt1—N1—C1—C2	174.7 (2)	N3—C15—C16—C17	176.6 (3)
N1—C1—C2—C3	1.6 (5)	C14—C15—C16—C17	−2.7 (5)
C1—C2—C3—C4	−1.5 (5)	N4—C16—C17—C18	−2.3 (5)
C2—C3—C4—C5	−1.0 (5)	C15—C16—C17—C18	177.8 (3)
C1—N1—C5—C4	−3.4 (4)	C16—C17—C18—C19	0.7 (5)
Pt1—N1—C5—C4	−177.9 (2)	C17—C18—C19—C20	0.6 (5)
C1—N1—C5—C6	175.6 (3)	C16—N4—C20—C19	−1.3 (5)
Pt1—N1—C5—C6	1.1 (3)	Pt1—N4—C20—C19	174.0 (2)
C3—C4—C5—N1	3.4 (5)	C18—C19—C20—N4	−0.3 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···Cl3i	1.033	2.21	3.150 (3)	149.79 (16)
O1—H1B···Cl4ii	0.924	2.31	3.139 (3)	149.3 (2)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯Cl3i	1.033	2.21	3.150 (3)	149.79 (16)
O1—H1B⋯Cl4ii	0.924	2.31	3.139 (3)	149.3 (2)

Symmetry codes: (i) ; (ii) .