Bis[4-(dimethyl-amino)pyridinium] tetra-bromidodiphenyl-stannate(IV).

The Sn(IV) atom of the stannate anion in the title salt, (C(7)H(11)N(2))(2)[SnBr(4)(C(6)H(5))(2)], lies on a center of inversion in a tetra-gonally compressed octa-hedron. The two independent Br atoms in the anion are hydrogen-bond acceptors for the same cation.

Related literature

For the structure of dipyridinium tetra­bromidostannate(II), see: Tuleda & Khan (1991 ▶).

Experimental

Crystal data

(C7H11N2)2[SnBr4(C6H5)2]

M = 838.89

Monoclinic,

a = 10.7803 (2) Å

b = 9.3847 (2) Å

c = 14.4068 (4) Å

β = 94.126 (2)°

V = 1453.76 (6) Å3

Z = 2

Mo Kα radiation

μ = 6.40 mm−1

T = 100 (2) K

0.24 × 0.18 × 0.12 mm

Data collection

Bruker SMART APEX diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.386, T max = 0.514 (expected range = 0.348–0.464)

11853 measured reflections

3334 independent reflections

2688 reflections with I > 2σ(I)

R int = 0.035

Refinement

R[F 2 > 2σ(F 2)] = 0.024

wR(F 2) = 0.051

S = 0.99

3334 reflections

166 parameters

1 restraint

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.47 e Å−3

Δρmin = −0.42 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2008 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808010830/tk2264sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808010830/tk2264Isup2.hkl

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

(C7H11N2)2[SnBr4(C6H5)2]	F000 = 812
Mr = 838.89	Dx = 1.916 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3449 reflections
a = 10.7803 (2) Å	θ = 2.3–28.3º
b = 9.3847 (2) Å	µ = 6.40 mm−1
c = 14.4068 (4) Å	T = 100 (2) K
β = 94.126 (2)º	Block, colorless
V = 1453.76 (6) Å3	0.24 × 0.18 × 0.12 mm
Z = 2

Bruker SMART APEX diffractometer	3334 independent reflections
Radiation source: fine-focus sealed tube	2688 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.035
T = 100(2) K	θmax = 27.5º
ω scans	θmin = 2.3º
Absorption correction: Multi-scan(SADABS; Sheldrick, 1996)	h = −14→14
Tmin = 0.386, Tmax = 0.514	k = −12→12
11853 measured reflections	l = −18→14

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)] = 0.024	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.051	w = 1/[σ2(Fo2) + (0.0228P)2] where P = (Fo2 + 2Fc2)/3
S = 0.99	(Δ/σ)max = 0.001
3334 reflections	Δρmax = 0.47 e Å−3
166 parameters	Δρmin = −0.42 e Å−3
1 restraint	Extinction correction: none
Primary atom site location: structure-invariant direct methods

	x	y	z	Uiso*/Ueq
Sn1	0.5000	0.5000	0.5000	0.01159 (7)
Br1	0.25635 (2)	0.50711 (3)	0.43147 (2)	0.01591 (7)
Br2	0.55014 (2)	0.71661 (3)	0.38004 (2)	0.01549 (7)
N1	0.05057 (19)	1.2090 (2)	0.45413 (16)	0.0168 (5)
N2	0.2527 (2)	0.8608 (3)	0.3851 (2)	0.0309 (7)
H2N	0.296 (3)	0.785 (2)	0.372 (3)	0.057 (12)*
C1	0.4622 (2)	0.6546 (3)	0.60374 (19)	0.0130 (6)
C2	0.5344 (2)	0.7784 (3)	0.6151 (2)	0.0185 (6)
H2	0.6043	0.7916	0.5794	0.022*
C3	0.5038 (3)	0.8816 (3)	0.6784 (2)	0.0232 (7)
H3	0.5529	0.9654	0.6862	0.028*
C4	0.4025 (3)	0.8631 (3)	0.7301 (2)	0.0248 (7)
H4	0.3807	0.9354	0.7722	0.030*
C5	0.3325 (3)	0.7406 (3)	0.7212 (2)	0.0219 (7)
H5	0.2639	0.7277	0.7582	0.026*
C6	0.3615 (2)	0.6360 (3)	0.65865 (19)	0.0172 (6)
H6	0.3131	0.5515	0.6530	0.021*
C7	−0.0284 (3)	1.2845 (3)	0.3844 (2)	0.0260 (7)
H7A	0.0236	1.3368	0.3429	0.039*
H7B	−0.0816	1.3517	0.4153	0.039*
H7C	−0.0804	1.2160	0.3481	0.039*
C8	0.0588 (3)	1.2631 (3)	0.5493 (2)	0.0209 (6)
H8A	0.0386	1.1866	0.5920	0.031*
H8B	−0.0001	1.3418	0.5541	0.031*
H8C	0.1435	1.2972	0.5657	0.031*
C9	0.1188 (2)	1.0979 (3)	0.4305 (2)	0.0141 (6)
C10	0.1155 (2)	1.0461 (3)	0.3381 (2)	0.0182 (6)
H10	0.0668	1.0937	0.2900	0.022*
C11	0.1821 (3)	0.9282 (3)	0.3182 (2)	0.0254 (7)
H11	0.1786	0.8932	0.2562	0.031*
C12	0.2617 (3)	0.9093 (3)	0.4731 (2)	0.0280 (8)
H12	0.3141	0.8609	0.5186	0.034*
C13	0.1979 (2)	1.0250 (3)	0.4982 (2)	0.0201 (7)
H13	0.2058	1.0577	0.5607	0.024*

	U11	U22	U33	U12	U13	U23
Sn1	0.01150 (12)	0.01286 (14)	0.01055 (14)	0.00047 (10)	0.00166 (10)	0.00068 (11)
Br1	0.01193 (13)	0.01943 (15)	0.01628 (15)	0.00059 (10)	0.00046 (10)	0.00031 (12)
Br2	0.01807 (13)	0.01534 (14)	0.01326 (14)	−0.00163 (11)	0.00254 (10)	0.00332 (13)
N1	0.0165 (11)	0.0180 (12)	0.0155 (13)	0.0016 (10)	−0.0018 (9)	0.0031 (11)
N2	0.0372 (15)	0.0258 (16)	0.0305 (17)	0.0166 (13)	0.0093 (13)	0.0049 (14)
C1	0.0147 (13)	0.0135 (14)	0.0109 (15)	0.0026 (11)	0.0011 (11)	−0.0007 (12)
C2	0.0209 (14)	0.0194 (15)	0.0155 (15)	−0.0009 (12)	0.0027 (12)	0.0045 (13)
C3	0.0308 (16)	0.0152 (16)	0.0227 (17)	−0.0012 (12)	−0.0039 (13)	−0.0025 (13)
C4	0.0339 (17)	0.0243 (17)	0.0158 (16)	0.0109 (14)	−0.0004 (13)	−0.0078 (14)
C5	0.0193 (14)	0.0345 (19)	0.0120 (15)	0.0065 (12)	0.0012 (12)	−0.0018 (14)
C6	0.0139 (13)	0.0235 (16)	0.0138 (15)	0.0001 (11)	−0.0015 (11)	−0.0003 (13)
C7	0.0217 (15)	0.0307 (18)	0.0244 (17)	0.0081 (13)	−0.0072 (13)	−0.0020 (15)
C8	0.0233 (14)	0.0217 (16)	0.0178 (16)	−0.0016 (12)	0.0018 (12)	−0.0022 (13)
C9	0.0132 (12)	0.0147 (14)	0.0147 (15)	−0.0048 (10)	0.0016 (11)	0.0038 (12)
C10	0.0184 (14)	0.0163 (15)	0.0197 (16)	0.0006 (11)	0.0000 (12)	0.0056 (13)
C11	0.0345 (17)	0.0237 (17)	0.0188 (17)	0.0052 (14)	0.0073 (14)	0.0021 (15)
C12	0.0271 (16)	0.0303 (19)	0.0261 (19)	0.0057 (14)	−0.0014 (14)	0.0102 (16)
C13	0.0192 (13)	0.0234 (17)	0.0175 (16)	−0.0012 (12)	0.0010 (12)	0.0045 (13)

Sn1—C1	2.143 (3)	C4—H4	0.9500
Sn1—C1i	2.143 (3)	C5—C6	1.384 (4)
Sn1—Br1	2.7395 (2)	C5—H5	0.9500
Sn1—Br1i	2.7395 (2)	C6—H6	0.9500
Sn1—Br2	2.7470 (3)	C7—H7A	0.9800
Sn1—Br2i	2.7470 (3)	C7—H7B	0.9800
N1—C9	1.334 (3)	C7—H7C	0.9800
N1—C7	1.454 (3)	C8—H8A	0.9800
N1—C8	1.459 (4)	C8—H8B	0.9800
N2—C12	1.344 (4)	C8—H8C	0.9800
N2—C11	1.342 (4)	C9—C10	1.415 (4)
N2—H2N	0.879 (10)	C9—C13	1.424 (4)
C1—C6	1.399 (4)	C10—C11	1.361 (4)
C1—C2	1.402 (4)	C10—H10	0.9500
C2—C3	1.387 (4)	C11—H11	0.9500
C2—H2	0.9500	C12—C13	1.349 (4)
C3—C4	1.376 (4)	C12—H12	0.9500
C3—H3	0.9500	C13—H13	0.9500
C4—C5	1.376 (4)
C1—Sn1—C1i	180.0	C6—C5—C4	120.3 (3)
C1—Sn1—Br1	90.53 (7)	C6—C5—H5	119.8
C1—Sn1—Br1i	89.47 (7)	C4—C5—H5	119.8
C1—Sn1—Br2	89.64 (7)	C5—C6—C1	120.1 (3)
C1—Sn1—Br2i	90.36 (7)	C5—C6—H6	120.0
C1i—Sn1—Br1	89.47 (7)	C1—C6—H6	120.0
C1i—Sn1—Br1i	90.53 (7)	N1—C7—H7A	109.5
C1i—Sn1—Br2	90.36 (7)	N1—C7—H7B	109.5
C1i—Sn1—Br2i	89.64 (7)	H7A—C7—H7B	109.5
Br1—Sn1—Br1i	180.0	N1—C7—H7C	109.5
Br1—Sn1—Br2	88.981 (8)	H7A—C7—H7C	109.5
Br1—Sn1—Br2i	91.019 (8)	H7B—C7—H7C	109.5
Br1i—Sn1—Br2i	88.981 (8)	N1—C8—H8A	109.5
Br1i—Sn1—Br2	91.019 (8)	N1—C8—H8B	109.5
Br2—Sn1—Br2i	180.0	H8A—C8—H8B	109.5
C9—N1—C7	120.7 (2)	N1—C8—H8C	109.5
C9—N1—C8	121.0 (2)	H8A—C8—H8C	109.5
C7—N1—C8	118.2 (2)	H8B—C8—H8C	109.5
C12—N2—C11	121.0 (3)	N1—C9—C10	122.1 (2)
C12—N2—H2N	118 (3)	N1—C9—C13	121.0 (3)
C11—N2—H2N	120 (3)	C10—C9—C13	116.9 (2)
C6—C1—C2	118.9 (3)	C11—C10—C9	120.0 (3)
C6—C1—Sn1	120.3 (2)	C11—C10—H10	120.0
C2—C1—Sn1	120.71 (19)	C9—C10—H10	120.0
C3—C2—C1	120.0 (3)	N2—C11—C10	120.8 (3)
C3—C2—H2	120.0	N2—C11—H11	119.6
C1—C2—H2	120.0	C10—C11—H11	119.6
C4—C3—C2	120.2 (3)	N2—C12—C13	121.5 (3)
C4—C3—H3	119.9	N2—C12—H12	119.3
C2—C3—H3	119.9	C13—C12—H12	119.3
C3—C4—C5	120.4 (3)	C12—C13—C9	119.7 (3)
C3—C4—H4	119.8	C12—C13—H13	120.1
C5—C4—H4	119.8	C9—C13—H13	120.1
Br1i—Sn1—C1—C6	−130.5 (2)	C2—C1—C6—C5	1.7 (4)
Br1—Sn1—C1—C6	49.5 (2)	Sn1—C1—C6—C5	−175.7 (2)
Br2i—Sn1—C1—C6	−41.5 (2)	C7—N1—C9—C10	−1.6 (4)
Br2—Sn1—C1—C6	138.5 (2)	C8—N1—C9—C10	−178.0 (2)
Br1i—Sn1—C1—C2	52.2 (2)	C7—N1—C9—C13	178.9 (2)
Br1—Sn1—C1—C2	−127.8 (2)	C8—N1—C9—C13	2.6 (4)
Br2i—Sn1—C1—C2	141.2 (2)	N1—C9—C10—C11	−176.8 (3)
Br2—Sn1—C1—C2	−38.8 (2)	C13—C9—C10—C11	2.6 (4)
C6—C1—C2—C3	−1.5 (4)	C12—N2—C11—C10	−1.4 (5)
Sn1—C1—C2—C3	175.9 (2)	C9—C10—C11—N2	−0.9 (4)
C1—C2—C3—C4	−0.2 (4)	C11—N2—C12—C13	1.7 (5)
C2—C3—C4—C5	1.7 (4)	N2—C12—C13—C9	0.2 (5)
C3—C4—C5—C6	−1.5 (4)	N1—C9—C13—C12	177.1 (3)
C4—C5—C6—C1	−0.2 (4)	C10—C9—C13—C12	−2.3 (4)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2N···Br1	0.88 (1)	2.79 (3)	3.385 (3)	126 (3)
N2—H2N···Br2	0.88 (1)	2.81 (3)	3.485 (3)	135 (3)

Sn1—C1	2.143 (3)
Sn1—Br1	2.7395 (2)
Sn1—Br2	2.7470 (3)

C1—Sn1—Br1	90.53 (7)
C1—Sn1—Br1i	89.47 (7)
C1—Sn1—Br2	89.64 (7)
C1—Sn1—Br2i	90.36 (7)
Br1—Sn1—Br2	88.981 (8)
Br1—Sn1—Br2i	91.019 (8)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2N⋯Br1	0.88 (1)	2.79 (3)	3.385 (3)	126 (3)
N2—H2N⋯Br2	0.88 (1)	2.81 (3)	3.485 (3)	135 (3)