Bis(trimethyl-phenyl-ammonium) hexa-[bromido/chlorido(0.792/0.208)]stannate(IV).

In the title mol-ecular salt, [C(6)H(5)(CH(3))(3)N](2)[SnBr(4.75)Cl(1.25)], the Sn(IV) atom (site symmetry ) adopts an octa-hedral coordination geometry. The Br and Cl atoms are disordered over three sites in 0.7415 (13):0.2585 (14), 0.8514 (14):0.1486 (14) and 0.7821 (14):0.2179 (14) ratios.

Related literature

For the crystal structures of other ammonium hexa­bromidostannates(IV): see: Al-Far & Ali (2007 ▶); Al-Far et al. (2009 ▶); Ali et al. (2007 ▶); Howie et al. (2009 ▶).

Experimental

Crystal data

(C9H14N)2[SnBr4.75Cl1.25]

M = 815.00

Monoclinic,

a = 8.8003 (1) Å

b = 10.6362 (2) Å

c = 14.2869 (2) Å

β = 104.433 (1)°

V = 1295.07 (3) Å3

Z = 2

Mo Kα radiation

μ = 8.45 mm−1

T = 293 K

0.30 × 0.30 × 0.20 mm

Data collection

Bruker SMART APEX diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.186, T max = 0.283

12094 measured reflections

2974 independent reflections

2507 reflections with I > 2σ(I)

R int = 0.023

Refinement

R[F 2 > 2σ(F 2)] = 0.021

wR(F 2) = 0.052

S = 1.01

2974 reflections

133 parameters

5 restraints

H-atom parameters constrained

Δρmax = 0.38 e Å−3

Δρmin = −0.58 e Å−3

Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); 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, 2010 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681000680X/hb5336sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681000680X/hb5336Isup2.hkl

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

(C9H14N)2[SnBr4.75Cl1.25]	F(000) = 775
Mr = 815.00	Dx = 2.090 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 4823 reflections
a = 8.8003 (1) Å	θ = 2.4–28.2°
b = 10.6362 (2) Å	µ = 8.45 mm−1
c = 14.2869 (2) Å	T = 293 K
β = 104.433 (1)°	Block, yellow
V = 1295.07 (3) Å3	0.30 × 0.30 × 0.20 mm
Z = 2

Bruker SMART APEX diffractometer	2974 independent reflections
Radiation source: fine-focus sealed tube	2507 reflections with I > 2σ(I)
graphite	Rint = 0.023
ω scans	θmax = 27.5°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→11
Tmin = 0.186, Tmax = 0.283	k = −13→13
12094 measured reflections	l = −18→18

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)] = 0.021	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.052	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0273P)2 + 0.3311P] where P = (Fo2 + 2Fc2)/3
2974 reflections	(Δ/σ)max = 0.001
133 parameters	Δρmax = 0.38 e Å−3
5 restraints	Δρmin = −0.58 e Å−3

	x	y	z	Uiso*/Ueq	Occ. (<1)
Sn1	0.5000	0.5000	0.5000	0.02940 (7)
Br1	0.79909 (3)	0.50477 (3)	0.52754 (2)	0.04523 (11)	0.7415 (13)
Br2	0.50568 (4)	0.71415 (3)	0.58689 (2)	0.04665 (11)	0.8514 (14)
Br3	0.53087 (4)	0.38474 (3)	0.66315 (2)	0.04326 (11)	0.7821 (14)
Cl1	0.79909 (3)	0.50477 (3)	0.52754 (2)	0.04523 (11)	0.2585 (14)
Cl2	0.50568 (4)	0.71415 (3)	0.58689 (2)	0.04665 (11)	0.1486 (14)
Cl3	0.53087 (4)	0.38474 (3)	0.66315 (2)	0.04326 (11)	0.2179 (14)
N1	0.8193 (2)	0.0359 (2)	0.70182 (15)	0.0404 (5)
C1	0.9413 (3)	0.0799 (2)	0.65257 (17)	0.0354 (5)
C2	0.8999 (3)	0.1456 (3)	0.5678 (2)	0.0586 (8)
H2	0.7949	0.1610	0.5382	0.070*
C3	1.0162 (4)	0.1887 (3)	0.5271 (3)	0.0689 (10)
H3	0.9879	0.2330	0.4692	0.083*
C4	1.1700 (4)	0.1687 (3)	0.5682 (2)	0.0564 (8)
H4	1.2466	0.1978	0.5390	0.068*
C5	1.2101 (4)	0.1053 (3)	0.6533 (2)	0.0636 (9)
H5	1.3155	0.0919	0.6831	0.076*
C6	1.0965 (3)	0.0603 (3)	0.6963 (2)	0.0566 (8)
H6	1.1253	0.0170	0.7546	0.068*
C7	0.8529 (4)	−0.0962 (3)	0.7393 (3)	0.0619 (9)
H7A	0.8527	−0.1518	0.6864	0.093*
H7B	0.7735	−0.1221	0.7708	0.093*
H7C	0.9537	−0.0988	0.7847	0.093*
C8	0.8202 (4)	0.1222 (3)	0.7851 (2)	0.0636 (9)
H8A	0.9203	0.1176	0.8310	0.095*
H8B	0.7393	0.0973	0.8156	0.095*
H8C	0.8015	0.2069	0.7618	0.095*
C9	0.6576 (3)	0.0366 (3)	0.6359 (2)	0.0567 (8)
H9A	0.6272	0.1215	0.6175	0.085*
H9B	0.5852	0.0008	0.6689	0.085*
H9C	0.6569	−0.0122	0.5793	0.085*

	U11	U22	U33	U12	U13	U23
Sn1	0.02718 (11)	0.02958 (12)	0.03066 (12)	−0.00216 (9)	0.00577 (8)	−0.00056 (9)
Br1	0.02788 (16)	0.0596 (2)	0.04703 (19)	−0.00311 (13)	0.00721 (13)	0.00024 (14)
Br2	0.05446 (19)	0.03536 (16)	0.04899 (19)	−0.00321 (13)	0.01072 (14)	−0.00974 (12)
Br3	0.04800 (18)	0.04521 (18)	0.03699 (17)	0.00217 (13)	0.01141 (13)	0.00745 (13)
Cl1	0.02788 (16)	0.0596 (2)	0.04703 (19)	−0.00311 (13)	0.00721 (13)	0.00024 (14)
Cl2	0.05446 (19)	0.03536 (16)	0.04899 (19)	−0.00321 (13)	0.01072 (14)	−0.00974 (12)
Cl3	0.04800 (18)	0.04521 (18)	0.03699 (17)	0.00217 (13)	0.01141 (13)	0.00745 (13)
N1	0.0381 (11)	0.0413 (12)	0.0425 (12)	0.0010 (9)	0.0116 (9)	0.0063 (10)
C1	0.0365 (13)	0.0337 (12)	0.0367 (13)	−0.0019 (10)	0.0107 (10)	−0.0008 (10)
C2	0.0461 (16)	0.064 (2)	0.0621 (19)	0.0077 (15)	0.0071 (14)	0.0280 (16)
C3	0.075 (2)	0.071 (2)	0.064 (2)	−0.0009 (18)	0.0238 (18)	0.0325 (18)
C4	0.0603 (19)	0.0526 (18)	0.064 (2)	−0.0082 (15)	0.0306 (16)	0.0018 (15)
C5	0.0394 (15)	0.086 (2)	0.068 (2)	0.0031 (16)	0.0184 (15)	0.0090 (18)
C6	0.0422 (15)	0.081 (2)	0.0456 (16)	0.0065 (15)	0.0101 (13)	0.0173 (16)
C7	0.0571 (18)	0.0496 (18)	0.082 (2)	0.0043 (14)	0.0235 (17)	0.0281 (16)
C8	0.069 (2)	0.077 (2)	0.0519 (18)	0.0022 (17)	0.0294 (16)	−0.0079 (16)
C9	0.0356 (14)	0.0623 (19)	0.068 (2)	−0.0023 (13)	0.0049 (14)	0.0087 (16)

Sn1—Cl1i	2.5630 (3)	C3—C4	1.352 (4)
Sn1—Br1i	2.5630 (3)	C3—H3	0.9300
Sn1—Br1	2.5630 (3)	C4—C5	1.357 (5)
Sn1—Cl3i	2.5874 (3)	C4—H4	0.9300
Sn1—Br3i	2.5874 (3)	C5—C6	1.383 (4)
Sn1—Br2	2.5886 (3)	C5—H5	0.9300
Sn1—Br3	2.5874 (3)	C6—H6	0.9300
Sn1—Br2i	2.5886 (3)	C7—H7A	0.9600
Sn1—Cl2i	2.5886 (3)	C7—H7B	0.9600
N1—C8	1.501 (4)	C7—H7C	0.9600
N1—C1	1.498 (3)	C8—H8A	0.9600
N1—C9	1.498 (3)	C8—H8B	0.9600
N1—C7	1.506 (4)	C8—H8C	0.9600
C1—C6	1.368 (4)	C9—H9A	0.9600
C1—C2	1.367 (4)	C9—H9B	0.9600
C2—C3	1.375 (4)	C9—H9C	0.9600
C2—H2	0.9300
Cl1i—Sn1—Br1i	0.00 (2)	C8—N1—C7	109.1 (2)
Cl1i—Sn1—Br1	180.000 (15)	C1—N1—C7	111.0 (2)
Br1i—Sn1—Br1	180.000 (15)	C9—N1—C7	107.4 (2)
Cl1i—Sn1—Cl3i	89.879 (10)	C6—C1—C2	119.8 (2)
Br1i—Sn1—Cl3i	89.879 (10)	C6—C1—N1	119.2 (2)
Br1—Sn1—Cl3i	90.121 (10)	C2—C1—N1	120.8 (2)
Cl1i—Sn1—Br3i	89.879 (10)	C1—C2—C3	118.9 (3)
Br1i—Sn1—Br3i	89.879 (10)	C1—C2—H2	120.6
Br1—Sn1—Br3i	90.121 (10)	C3—C2—H2	120.6
Cl3i—Sn1—Br3i	0.000 (6)	C4—C3—C2	122.3 (3)
Cl1i—Sn1—Br3	90.121 (10)	C4—C3—H3	118.9
Br1i—Sn1—Br3	90.121 (10)	C2—C3—H3	118.9
Br1—Sn1—Br3	89.879 (10)	C3—C4—C5	118.4 (3)
Cl3i—Sn1—Br3	180.0	C3—C4—H4	120.8
Br3i—Sn1—Br3	180.0	C5—C4—H4	120.8
Cl1i—Sn1—Br2	89.277 (10)	C4—C5—C6	121.0 (3)
Br1i—Sn1—Br2	89.277 (10)	C4—C5—H5	119.5
Br1—Sn1—Br2	90.723 (10)	C6—C5—H5	119.5
Cl3i—Sn1—Br2	90.014 (10)	C1—C6—C5	119.6 (3)
Br3i—Sn1—Br2	90.014 (10)	C1—C6—H6	120.2
Br3—Sn1—Br2	89.986 (10)	C5—C6—H6	120.2
Cl1i—Sn1—Br2i	90.723 (10)	N1—C7—H7A	109.5
Br1i—Sn1—Br2i	90.723 (10)	N1—C7—H7B	109.5
Br1—Sn1—Br2i	89.277 (10)	H7A—C7—H7B	109.5
Cl3i—Sn1—Br2i	89.986 (10)	N1—C7—H7C	109.5
Br3i—Sn1—Br2i	89.986 (10)	H7A—C7—H7C	109.5
Br3—Sn1—Br2i	90.014 (10)	H7B—C7—H7C	109.5
Br2—Sn1—Br2i	180.0	N1—C8—H8A	109.5
Cl1i—Sn1—Cl2i	90.723 (10)	N1—C8—H8B	109.5
Br1i—Sn1—Cl2i	90.723 (10)	H8A—C8—H8B	109.5
Br1—Sn1—Cl2i	89.277 (10)	N1—C8—H8C	109.5
Cl3i—Sn1—Cl2i	89.986 (10)	H8A—C8—H8C	109.5
Br3i—Sn1—Cl2i	89.986 (10)	H8B—C8—H8C	109.5
Br3—Sn1—Cl2i	90.014 (10)	N1—C9—H9A	109.5
Br2—Sn1—Cl2i	180.0	N1—C9—H9B	109.5
Br2i—Sn1—Cl2i	0.000 (6)	H9A—C9—H9B	109.5
C8—N1—C1	108.6 (2)	N1—C9—H9C	109.5
C8—N1—C9	108.1 (2)	H9A—C9—H9C	109.5
C1—N1—C9	112.5 (2)	H9B—C9—H9C	109.5
C8—N1—C1—C6	73.7 (3)	N1—C1—C2—C3	177.3 (3)
C9—N1—C1—C6	−166.6 (3)	C1—C2—C3—C4	−0.3 (6)
C7—N1—C1—C6	−46.2 (4)	C2—C3—C4—C5	−0.8 (6)
C8—N1—C1—C2	−102.3 (3)	C3—C4—C5—C6	1.0 (5)
C9—N1—C1—C2	17.4 (4)	C2—C1—C6—C5	−1.2 (5)
C7—N1—C1—C2	137.8 (3)	N1—C1—C6—C5	−177.3 (3)
C6—C1—C2—C3	1.4 (5)	C4—C5—C6—C1	0.0 (5)

Table 1

Selected bond lengths (Å)

Sn1—Br1	2.5630 (3)
Sn1—Br2	2.5886 (3)
Sn1—Br3	2.5874 (3)