Bis(2-bromo-pyridinium) hexa-chlorido-stannate(IV).

The asymmetric unit of the title compound, (C(5)H(5)BrN)(2)[SnCl(6)], contains one cation and one half-anion. The [SnCl(6)](2-) anion is located on an inversion center and forms a quasi-regular octa-hedral arrangement. Hydrogen-bonding inter-actions of two kinds, viz. N-H⋯Cl-Sn and C-H⋯Cl-Sn, along with Cl⋯Br inter-actions [3.4393 (15) Å], connect the ions in the crystal structure into two-dimensional supra-molecular arrays. These supra-molecular arrays are arranged in layers approximately parallel to (110) built up from anions inter-acting with six symmetry-related surrounding cations.

Related literature

The title salt is isomorphous with the Te-analogue, see: Fernandes et al. (2004 ▶). For related literature, see: Al-Far & Ali (2007 ▶); Ali, Al-Far & Al-Sou’od (2007 ▶); Ali & Al-Far (2007 ▶); Ali, Al-Far & Ng (2007 ▶); Allen et al. (1987 ▶); Aruta et al. (2005 ▶); Awwadi et al. (2007 ▶); Bouacida et al. (2007 ▶); Ellis & Macdonald (2006 ▶); Hill (1998 ▶); Kagan et al. (1999 ▶); Knutson et al. (2005 ▶); Li et al. (2005 ▶); Mitzi et al. (2001 ▶); Raptopoulou et al. (2002 ▶); Willett & Haddad (2000 ▶).

Experimental

Crystal data

(C5H5BrN)2[SnCl6]

M = 649.41

Monoclinic,

a = 9.0843 (14) Å

b = 10.6827 (9) Å

c = 10.6345 (17) Å

β = 109.843 (11)°

V = 970.8 (2) Å3

Z = 2

Mo Kα radiation

μ = 6.25 mm−1

T = 296 (2) K

0.20 × 0.15 × 0.10 mm

Data collection

Siemens P4 diffractometer

Absorption correction: ψ scan (XSCANS; Siemens, 1996 ▶) T min = 0.340, T max = 0.535

2385 measured reflections

1791 independent reflections

1343 reflections with I > 2σ(I)

R int = 0.048

Refinement

R[F 2 > 2σ(F 2)] = 0.040

wR(F 2) = 0.097

S = 1.05

1791 reflections

98 parameters

H-atom parameters constrained

Δρmax = 0.61 e Å−3

Δρmin = −0.73 e Å−3

Data collection: XSCANS (Siemens, 1996 ▶); cell refinement: XSCANS; data reduction: SHELXTL (Sheldrick, 2008 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053680800901X/bh2165sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053680800901X/bh2165Isup2.hkl

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

(C5H5BrN)2[SnCl6]	F000 = 612
Mr = 649.41	Dx = 2.222 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 90 reflections
a = 9.0843 (14) Å	θ = 1.6–27.4º
b = 10.6827 (9) Å	µ = 6.25 mm−1
c = 10.6345 (17) Å	T = 296 (2) K
β = 109.843 (11)º	Block, yellow
V = 970.8 (2) Å3	0.20 × 0.15 × 0.10 mm
Z = 2

Siemens P4 diffractometer	1791 independent reflections
Radiation source: fine-focus sealed tube	1343 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.048
Detector resolution: 3 pixels mm-1	θmax = 25.5º
T = 296(2) K	θmin = 2.8º
ω scans	h = −1→11
Absorption correction: ψ scan(XSCANS; Siemens, 1996)	k = −12→1
Tmin = 0.340, Tmax = 0.535	l = −12→12
2385 measured reflections

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.040	w = 1/[σ2(Fo2) + (0.0417P)2 + 0.8983P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.097	(Δ/σ)max < 0.001
S = 1.05	Δρmax = 0.61 e Å−3
1791 reflections	Δρmin = −0.73 e Å−3
98 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0145 (10)
Secondary atom site location: difference Fourier map

	x	y	z	Uiso*/Ueq
Sn1	0.0000	0.0000	0.5000	0.0271 (2)
Br2	0.68293 (9)	0.00098 (6)	0.92745 (7)	0.0595 (3)
Cl1	0.15178 (16)	0.07315 (13)	0.36630 (13)	0.0376 (4)
Cl2	0.24265 (16)	−0.03276 (15)	0.68883 (14)	0.0474 (4)
Cl3	0.01440 (19)	−0.21235 (13)	0.42546 (16)	0.0500 (4)
N1	0.8532 (5)	0.1873 (5)	1.0891 (4)	0.0410 (11)
H1	0.7983	0.1643	1.1369	0.049*
C6	0.9552 (7)	0.2804 (5)	1.1327 (6)	0.0485 (15)
H6	0.9655	0.3203	1.2130	0.058*
C5	1.0445 (8)	0.3170 (7)	1.0591 (7)	0.0612 (19)
H5	1.1162	0.3820	1.0881	0.073*
C2	0.8330 (6)	0.1285 (5)	0.9736 (5)	0.0368 (12)
C4	1.0264 (8)	0.2556 (7)	0.9409 (7)	0.0621 (19)
H4	1.0880	0.2782	0.8904	0.075*
C3	0.9181 (7)	0.1612 (6)	0.8968 (6)	0.0518 (16)
H3	0.9039	0.1210	0.8160	0.062*

	U11	U22	U33	U12	U13	U23
Sn1	0.0278 (3)	0.0278 (3)	0.0285 (3)	0.0023 (2)	0.0134 (2)	0.0006 (2)
Br2	0.0574 (5)	0.0572 (4)	0.0634 (5)	−0.0230 (3)	0.0197 (3)	−0.0074 (3)
Cl1	0.0379 (7)	0.0438 (7)	0.0379 (7)	−0.0022 (6)	0.0216 (6)	0.0021 (6)
Cl2	0.0334 (7)	0.0680 (9)	0.0382 (8)	−0.0004 (7)	0.0088 (6)	0.0147 (7)
Cl3	0.0604 (10)	0.0319 (7)	0.0698 (10)	0.0009 (7)	0.0378 (8)	−0.0086 (7)
N1	0.040 (3)	0.050 (3)	0.035 (2)	−0.003 (2)	0.016 (2)	0.001 (2)
C6	0.042 (3)	0.045 (3)	0.051 (4)	0.000 (3)	0.005 (3)	−0.010 (3)
C5	0.046 (4)	0.050 (4)	0.076 (5)	−0.010 (3)	0.005 (3)	0.007 (4)
C2	0.031 (3)	0.036 (3)	0.041 (3)	−0.002 (2)	0.009 (2)	0.001 (2)
C4	0.050 (4)	0.076 (5)	0.069 (5)	−0.013 (4)	0.033 (3)	0.002 (4)
C3	0.054 (4)	0.062 (4)	0.050 (4)	−0.009 (3)	0.031 (3)	−0.011 (3)

Sn1—Cl1	2.4216 (13)	N1—H1	0.8600
Sn1—Cl2	2.4513 (14)	C6—C5	1.362 (9)
Sn1—Cl3	2.4212 (13)	C6—H6	0.9300
Sn1—Cl1i	2.4216 (13)	C5—C4	1.378 (10)
Sn1—Cl2i	2.4513 (14)	C5—H5	0.9300
Sn1—Cl3i	2.4212 (13)	C2—C3	1.347 (8)
Br2—C2	1.871 (5)	C4—C3	1.375 (9)
N1—C6	1.331 (8)	C4—H4	0.9300
N1—C2	1.336 (7)	C3—H3	0.9300
Cl1—Sn1—Cl2	89.67 (5)	C2—N1—H1	118.9
Cl3—Sn1—Cl1i	89.70 (5)	N1—C6—C5	119.6 (6)
Cl3—Sn1—Cl1	90.30 (5)	N1—C6—H6	120.2
Cl3—Sn1—Cl2	90.06 (6)	C5—C6—H6	120.2
Cl3—Sn1—Cl2i	89.94 (6)	C6—C5—C4	118.6 (6)
Cl1—Sn1—Cl2i	90.33 (5)	C6—C5—H5	120.7
Cl3i—Sn1—Cl3	180.0	C4—C5—H5	120.7
Cl3i—Sn1—Cl1i	90.30 (5)	N1—C2—C3	120.5 (5)
Cl3i—Sn1—Cl1	89.70 (5)	N1—C2—Br2	116.4 (4)
Cl1i—Sn1—Cl1	180.0	C3—C2—Br2	123.1 (5)
Cl3i—Sn1—Cl2i	90.06 (6)	C3—C4—C5	120.7 (7)
Cl1i—Sn1—Cl2i	89.67 (5)	C3—C4—H4	119.6
Cl3i—Sn1—Cl2	89.94 (6)	C5—C4—H4	119.6
Cl1i—Sn1—Cl2	90.33 (5)	C2—C3—C4	118.4 (6)
Cl2i—Sn1—Cl2	180.0	C2—C3—H3	120.8
C6—N1—C2	122.3 (5)	C4—C3—H3	120.8
C6—N1—H1	118.9
C2—N1—C6—C5	−0.9 (9)	C6—C5—C4—C3	1.4 (11)
N1—C6—C5—C4	−0.1 (10)	N1—C2—C3—C4	0.6 (9)
C6—N1—C2—C3	0.7 (9)	Br2—C2—C3—C4	−179.4 (5)
C6—N1—C2—Br2	−179.4 (4)	C5—C4—C3—C2	−1.6 (11)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···Cl2ii	0.86	2.45	3.234 (5)	151
C3—H3···Cl1iii	0.93	2.77	3.646 (6)	158
C5—H5···Cl1iv	0.93	2.86	3.774 (7)	170

Sn1—Cl1	2.4216 (13)
Sn1—Cl2	2.4513 (14)
Sn1—Cl3	2.4212 (13)

Cl1—Sn1—Cl2	89.67 (5)
Cl3—Sn1—Cl1i	89.70 (5)
Cl3—Sn1—Cl1	90.30 (5)
Cl3—Sn1—Cl2	90.06 (6)
Cl3—Sn1—Cl2i	89.94 (6)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯Cl2ii	0.86	2.45	3.234 (5)	151
C3—H3⋯Cl1iii	0.93	2.77	3.646 (6)	158
C5—H5⋯Cl1iv	0.93	2.86	3.774 (7)	170

Symmetry codes: (ii) ; (iii) ; (iv) .