Tris(piperazine-1,4-diium) bis­[hexa­chloridoindate(III)] tetra­hydrate

Bouacida, S.; Belhouas, R.; Fantazi, B.; Boudaren, C.; Roisnel, T.

doi:10.1107/S1600536811007355

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 4| April 2011| Pages m400-m401

doi:10.1107/S1600536811007355

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Tris(piperazine-1,4-diium) bis[hexachloridoindate(III)] tetrahydrate

Sofiane Bouacida,^a,^b ^* Ratiba Belhouas,^a Boubakeur Fantazi,^a Chaouki Boudaren ^a and Thierry Roisnel ^c

^aUnité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Mentouri-Constantine, 25000 Algeria, ^bDépartement Sciences de la Matière, Facult des Sciences Exactes et Sciences de la Nature et de la Vie, Université Larbi Ben M'hidi, Oum El Bouaghi 04000, Algeria, and ^cCentre de Difractométrie X, UMR 6226 CNRS Unité Sciences Chimiques de Rennes, Université de Rennes I, 263 Avenue du Général Leclerc, 35042 Rennes, France
^*Correspondence e-mail: bouacida_sofiane@yahoo.fr

(Received 5 February 2011; accepted 26 February 2011; online 9 March 2011)

The asymmetric unit of the title compound, (C₄H₁₂N₂)₃[InCl₆]₂·4H₂O, consists of one and half independent piperazinium cations, an hexachloridoindate anion and two molecules of water. The In^III ion is six-coordinated and forms a quasi-regular octahedral arrangement. In the crystal, alternating layers of cations and anions are arranged parallel to (10 $[\overline{1}]$ ) and are linked with the water molecules via intra- and intermolecular N—H⋯O, O—H⋯Cl, C—H⋯O and N—H⋯Cl hydrogen bonds, forming a complex three-dimensional network. Additional stabilization within the layers is provided by weak intermolecular C—H⋯Cl interactions.

Related literature

For related structures and protonated imines, see: Bouacida et al. (2005 , 2007 ); Bouacida (2008 ); Murugavel et al. (2009 ); Polishchuk et al. (2009 ).

Experimental

Crystal data

(C₄H₁₂N₂)₃[InCl₆]₂·4H₂O
M_r = 991.57
Triclinic, $[P \overline 1]$
a = 7.9267 (3) Å
b = 10.0940 (3) Å
c = 11.8265 (5) Å
α = 89.780 (1)°
β = 89.634 (1)°
γ = 73.087 (2)°
V = 905.31 (6) Å³
Z = 1
Mo Kα radiation
μ = 2.19 mm⁻¹
T = 295 K
0.15 × 0.06 × 0.05 mm

Data collection

Nonius KappaCCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2002 ) T_min = 0.773, T_max = 0.938
7414 measured reflections
4131 independent reflections
3293 reflections with I > 2σ(I)
R_int = 0.024

Refinement

R[F² > 2σ(F²)] = 0.030
wR(F²) = 0.069
S = 1.09
4131 reflections
163 parameters
1 restraint
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.61 e Å⁻³
Δρ_min = −0.75 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H11W⋯Cl2	0.84 (5)	2.43 (5)	3.248 (3)	167 (4)
O2W—H21W⋯Cl6ⁱ	0.80 (5)	2.58 (5)	3.353 (3)	163 (5)
O2W—H22W⋯Cl2ⁱⁱ	0.80 (6)	2.37 (6)	3.170 (3)	174 (6)
N3A—H31A⋯O1Wⁱ	0.90	1.91	2.805 (5)	178
N3A—H32A⋯O2W	0.90	1.95	2.843 (5)	171
N3B—H31B⋯Cl1ⁱⁱⁱ	0.90	2.61	3.233 (3)	127
N3B—H31B⋯Cl5ⁱⁱⁱ	0.90	2.47	3.202 (3)	138
N3B—H32B⋯Cl1	0.90	2.81	3.273 (3)	113
N3B—H32B⋯Cl3	0.90	2.37	3.231 (3)	160
N6A—H61A⋯Cl2^iv	0.90	2.64	3.334 (3)	134
N6A—H61A⋯Cl3^iv	0.90	2.62	3.330 (3)	136
N6A—H62A⋯Cl5^v	0.90	2.61	3.344 (3)	140
N6A—H62A⋯Cl6^v	0.90	2.77	3.502 (3)	139
C2B—H21B⋯O1W	0.97	2.47	3.306 (5)	144
C2A—H21A⋯Cl1ⁱ	0.97	2.72	3.470 (3)	135
C2B—H22B⋯Cl3^vi	0.97	2.83	3.607 (3)	138
C4A—H41A⋯Cl4^v	0.97	2.76	3.620 (3)	148
C4A—H42A⋯Cl6ⁱⁱ	0.97	2.74	3.577 (3)	145
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y+1, -z+1; (iii) -x, -y+1, -z; (iv) x, y+1, z; (v) x+1, y+1, z; (vi) -x+1, -y+1, -z.

Data collection: COLLECT (Hooft, 1998 ); cell refinement: DENZO (Otwinowski & Minor, 1997 ); data reduction: SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR2002 (Burla et al., 2003 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ); molecular graphics: PLATON (Spek, 2009 ) and DIAMOND (Brandenburg et al., 2001 ); software used to prepare material for publication: WinGX (Farrugia, 1999 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811007355/pv2386sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811007355/pv2386Isup2.hkl

checkCIF report

Comment top

The title compound, was prepared as part of our ongoing studies of hydrogen-bonding interactions in the crystal structures of protonated amines and imines (Bouacida, 2008; Bouacida et al., 2005; 2007). We report here the synthesis and crystal structure of a new hybrid compound, (I).

The asymmetric unit of the title compound consists of one and half independent piperazinium cations, an hexachloridoindate anion and two molecules of water. The molecular structure of (I) is shown in Fig. 1. In the title compound, both imine N atoms of piperazine are protonated as in other related structures (Murugavel et al., 2009; Polishchuk et al., 2009). These cations adopt typical chair conformation and alternate with hexachloridoindate complex forming layers parallel to the (10–1) plane (Fig 2).

The In^III ion is six-coordinated and forms a quasi-regular octahedral arrangement (Fig 2). The crystal packing in (I) is governed by classical hydrogen bond, viz cation-anion, cation-cation, water-anion and cation-water (Table 1). In the crystal, the components of the structure are linked via intra and intermolecular N—H···O, O—H···Cl, C—H···O and N—H···Cl hydrogen bonds to form a complex three-dimensional network. Additional stabilization within these layers is provided by weak intermolecular C—H···Cl interactions (Fig. 3, Table 1).

Related literature top

For related structures and protonated imines, see: Bouacida et al. (2005, 2007); Bouacida (2008); Murugavel et al. (2009); Polishchuk et al. (2009).

Experimental top

A solution of 1 mmol InCl₃ and 3 mmol piperazine in hydrochloric acid was slowly evaporated to dryness over a period of one week yielding colorless crystals suitable for X-ray diffraction.

Computing details top

Data collection: COLLECT (Hooft, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR2002 (Burla et al., 2003); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009) and DIAMOND (Brandenburg et al., 2001); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top

	Fig. 1. The molecular structure of (I) with the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. H atoms are represented as small spheres of arbitrary radii. Symmetry code: (i) 1 - x, 1 - y, -z
	Fig. 2. A diagram of the layered crystal packing in (I), viewed down the b axis.
	Fig. 3. Part of the crystal structure with hydrogen bonds shown as dashed lines.

Tris(piperazine-1,4-diium) bis[hexachloridoindate(III)] tetrahydrate top

Crystal data top

(C₄H₁₂N₂)₃[InCl₆]₂·4H₂O	Z = 1
M_r = 991.57	F(000) = 492
Triclinic, P1	D_x = 1.819 Mg m⁻³
a = 7.9267 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 10.0940 (3) Å	Cell parameters from 3980 reflections
c = 11.8265 (5) Å	θ = 2.9–27.5°
α = 89.780 (1)°	µ = 2.19 mm⁻¹
β = 89.634 (1)°	T = 295 K
γ = 73.087 (2)°	Needle, colorless
V = 905.31 (6) Å³	0.15 × 0.06 × 0.05 mm

Data collection top

Nonius KappaCCD diffractometer	4131 independent reflections
Radiation source: Enraf Nonius FR590	3293 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.024
Detector resolution: 9 pixels mm^-1	θ_max = 27.5°, θ_min = 3.2°
CCD rotation images, thick slices scans	h = −8→10
Absorption correction: multi-scan (SADABS; Sheldrick, 2002)	k = −13→13
T_min = 0.773, T_max = 0.938	l = −15→15
7414 measured reflections

Refinement top

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)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.069	H atoms treated by a mixture of independent and constrained refinement
S = 1.09	w = 1/[σ²(F_o²) + 0.1261P] where P = (F_o² + 2F_c²)/3
4131 reflections	(Δ/σ)_max = 0.002
163 parameters	Δρ_max = 0.61 e Å⁻³
1 restraint	Δρ_min = −0.75 e Å⁻³

Crystal data top

(C₄H₁₂N₂)₃[InCl₆]₂·4H₂O	γ = 73.087 (2)°
M_r = 991.57	V = 905.31 (6) Å³
Triclinic, P1	Z = 1
a = 7.9267 (3) Å	Mo Kα radiation
b = 10.0940 (3) Å	µ = 2.19 mm⁻¹
c = 11.8265 (5) Å	T = 295 K
α = 89.780 (1)°	0.15 × 0.06 × 0.05 mm
β = 89.634 (1)°

Data collection top

Nonius KappaCCD diffractometer	4131 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 2002)	3293 reflections with I > 2σ(I)
T_min = 0.773, T_max = 0.938	R_int = 0.024
7414 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.030	1 restraint
wR(F²) = 0.069	H atoms treated by a mixture of independent and constrained refinement
S = 1.09	Δρ_max = 0.61 e Å⁻³
4131 reflections	Δρ_min = −0.75 e Å⁻³
163 parameters

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1A	0.7212 (4)	0.9420 (3)	0.1784 (3)	0.0419 (7)
H11A	0.7106	0.9799	0.1024	0.05*
H12A	0.6401	0.8867	0.186	0.05*
C1B	0.5638 (4)	0.5134 (3)	0.1119 (3)	0.04
H11B	0.61	0.5657	0.166	0.048*
H12B	0.5554	0.4295	0.1488	0.048*
C2A	0.9056 (4)	0.8527 (3)	0.1970 (3)	0.0403 (7)
H21A	0.932	0.7756	0.1446	0.048*
H22A	0.9873	0.906	0.182	0.048*
C2B	0.3830 (4)	0.5984 (3)	0.0742 (3)	0.0400 (7)
H21B	0.3032	0.6173	0.1386	0.048*
H22B	0.3895	0.6862	0.0438	0.048*
C4A	0.8812 (4)	0.9141 (3)	0.3988 (3)	0.0415 (7)
H41A	0.9621	0.9697	0.3916	0.05*
H42A	0.8914	0.876	0.4747	0.05*
C5A	0.6963 (4)	1.0037 (3)	0.3801 (3)	0.0394 (7)
H51A	0.6144	0.9505	0.3946	0.047*
H52A	0.6696	1.0809	0.4324	0.047*
N3A	0.9296 (4)	0.7988 (3)	0.3150 (2)	0.0437 (6)
H31A	1.0429	0.7492	0.325	0.052*
H32A	0.862	0.7422	0.3266	0.052*
N3B	0.3148 (3)	0.5233 (3)	−0.0131 (2)	0.0367 (6)
H31B	0.2088	0.5765	−0.0365	0.044*
H32B	0.3001	0.4455	0.0172	0.044*
N6A	0.6748 (3)	1.0568 (3)	0.2620 (2)	0.0386 (6)
H61A	0.5623	1.1079	0.2514	0.046*
H62A	0.7444	1.1121	0.2506	0.046*
Cl1	0.01218 (9)	0.49590 (7)	0.16760 (6)	0.03375 (16)
Cl2	0.34370 (11)	0.31722 (8)	0.36015 (7)	0.0466 (2)
Cl3	0.36503 (9)	0.21152 (7)	0.07659 (6)	0.03619 (17)
Cl4	0.26386 (10)	0.00367 (7)	0.29365 (7)	0.04150 (18)
Cl5	−0.06834 (10)	0.17934 (7)	0.09051 (6)	0.03826 (17)
Cl6	−0.11484 (11)	0.28867 (8)	0.37179 (7)	0.0466 (2)
In1	0.13014 (2)	0.247144 (19)	0.228928 (17)	0.03017 (7)
O2W	0.7076 (5)	0.6333 (3)	0.3757 (2)	0.0694 (9)
H21W	0.756 (7)	0.554 (5)	0.360 (4)	0.104*
H22W	0.698 (7)	0.639 (6)	0.443 (5)	0.104*
O1W	0.2846 (4)	0.6490 (3)	0.3457 (3)	0.073
H11W	0.286 (6)	0.567 (5)	0.357 (4)	0.109*
H12W	0.361 (5)	0.666 (5)	0.385 (4)	0.109*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1A	0.0472 (19)	0.0439 (17)	0.0357 (17)	−0.0150 (15)	−0.0066 (14)	−0.0006 (14)
C1B	0.036	0.053	0.035	−0.019	−0.005	0.006
C2A	0.0504 (19)	0.0300 (15)	0.0373 (17)	−0.0067 (14)	0.0061 (14)	−0.0019 (13)
C2B	0.0317 (16)	0.0445 (17)	0.0440 (18)	−0.0113 (14)	0.0025 (13)	0.0001 (14)
C4A	0.0402 (18)	0.0475 (18)	0.0319 (16)	−0.0050 (14)	−0.0029 (13)	0.0027 (14)
C5A	0.0399 (17)	0.0427 (17)	0.0330 (16)	−0.0081 (14)	0.0011 (13)	−0.0022 (13)
N3A	0.0460 (16)	0.0325 (13)	0.0448 (16)	0.0007 (12)	0.0051 (12)	0.0063 (11)
N3B	0.0246 (12)	0.0435 (14)	0.0424 (15)	−0.0104 (11)	−0.0045 (10)	0.0130 (12)
N6A	0.0306 (13)	0.0370 (13)	0.0434 (15)	−0.0025 (11)	−0.0039 (11)	0.0032 (11)
Cl1	0.0330 (4)	0.0259 (3)	0.0408 (4)	−0.0062 (3)	−0.0018 (3)	0.0043 (3)
Cl2	0.0442 (4)	0.0442 (4)	0.0461 (5)	−0.0041 (4)	−0.0133 (4)	−0.0085 (4)
Cl3	0.0354 (4)	0.0350 (4)	0.0368 (4)	−0.0081 (3)	0.0054 (3)	0.0028 (3)
Cl4	0.0341 (4)	0.0337 (4)	0.0540 (5)	−0.0057 (3)	−0.0029 (3)	0.0137 (3)
Cl5	0.0391 (4)	0.0343 (4)	0.0426 (4)	−0.0125 (3)	−0.0104 (3)	0.0059 (3)
Cl6	0.0439 (4)	0.0448 (4)	0.0445 (5)	−0.0026 (4)	0.0131 (3)	0.0093 (3)
In1	0.02748 (12)	0.02921 (12)	0.03188 (12)	−0.00524 (8)	−0.00114 (8)	0.00527 (8)
O2W	0.107 (2)	0.0454 (14)	0.0504 (16)	−0.0145 (16)	0.0142 (17)	−0.0025 (14)
O1W	0.076	0.057	0.078	−0.007	−0.017	0.002

Geometric parameters (Å, º) top

C1A—N6A	1.487 (4)	C5A—H51A	0.97
C1A—C2A	1.494 (4)	C5A—H52A	0.97
C1A—H11A	0.97	N3A—H31A	0.9
C1A—H12A	0.97	N3A—H32A	0.9
C1B—N3Bⁱ	1.487 (4)	N3B—C1Bⁱ	1.487 (4)
C1B—C2B	1.509 (4)	N3B—H31B	0.9
C1B—H11B	0.97	N3B—H32B	0.9
C1B—H12B	0.97	N6A—H61A	0.9
C2A—N3A	1.489 (4)	N6A—H62A	0.9
C2A—H21A	0.97	Cl1—In1	2.5167 (7)
C2A—H22A	0.97	Cl2—In1	2.5521 (8)
C2B—N3B	1.478 (4)	Cl3—In1	2.5327 (7)
C2B—H21B	0.97	Cl4—In1	2.4959 (7)
C2B—H22B	0.97	Cl5—In1	2.5083 (7)
C4A—N3A	1.492 (4)	Cl6—In1	2.5082 (8)
C4A—C5A	1.498 (4)	O2W—H21W	0.80 (5)
C4A—H41A	0.97	O2W—H22W	0.80 (5)
C4A—H42A	0.97	O1W—H11W	0.84 (5)
C5A—N6A	1.487 (4)	O1W—H12W	0.824 (19)

N6A—C1A—C2A	110.3 (2)	C2A—N3A—C4A	111.2 (2)
N6A—C1A—H11A	109.6	C2A—N3A—H31A	109.4
C2A—C1A—H11A	109.6	C4A—N3A—H31A	109.4
N6A—C1A—H12A	109.6	C2A—N3A—H32A	109.4
C2A—C1A—H12A	109.6	C4A—N3A—H32A	109.4
H11A—C1A—H12A	108.1	H31A—N3A—H32A	108
N3Bⁱ—C1B—C2B	110.3 (2)	C2B—N3B—C1Bⁱ	111.8 (2)
N3Bⁱ—C1B—H11B	109.6	C2B—N3B—H31B	109.3
C2B—C1B—H11B	109.6	C1Bⁱ—N3B—H31B	109.3
N3Bⁱ—C1B—H12B	109.6	C2B—N3B—H32B	109.3
C2B—C1B—H12B	109.6	C1Bⁱ—N3B—H32B	109.3
H11B—C1B—H12B	108.1	H31B—N3B—H32B	107.9
N3A—C2A—C1A	111.2 (2)	C1A—N6A—C5A	111.6 (2)
N3A—C2A—H21A	109.4	C1A—N6A—H61A	109.3
C1A—C2A—H21A	109.4	C5A—N6A—H61A	109.3
N3A—C2A—H22A	109.4	C1A—N6A—H62A	109.3
C1A—C2A—H22A	109.4	C5A—N6A—H62A	109.3
H21A—C2A—H22A	108	H61A—N6A—H62A	108
N3B—C2B—C1B	110.3 (2)	Cl4—In1—Cl6	92.66 (3)
N3B—C2B—H21B	109.6	Cl4—In1—Cl5	93.02 (3)
C1B—C2B—H21B	109.6	Cl6—In1—Cl5	88.24 (3)
N3B—C2B—H22B	109.6	Cl4—In1—Cl1	176.49 (2)
C1B—C2B—H22B	109.6	Cl6—In1—Cl1	88.87 (2)
H21B—C2B—H22B	108.1	Cl5—In1—Cl1	90.18 (2)
N3A—C4A—C5A	110.8 (3)	Cl4—In1—Cl3	89.56 (3)
N3A—C4A—H41A	109.5	Cl6—In1—Cl3	176.85 (3)
C5A—C4A—H41A	109.5	Cl5—In1—Cl3	89.41 (3)
N3A—C4A—H42A	109.5	Cl1—In1—Cl3	89.04 (2)
C5A—C4A—H42A	109.5	Cl4—In1—Cl2	87.68 (3)
H41A—C4A—H42A	108.1	Cl6—In1—Cl2	94.98 (3)
N6A—C5A—C4A	110.5 (2)	Cl5—In1—Cl2	176.67 (3)
N6A—C5A—H51A	109.6	Cl1—In1—Cl2	89.04 (2)
C4A—C5A—H51A	109.6	Cl3—In1—Cl2	87.34 (3)
N6A—C5A—H52A	109.6	H21W—O2W—H22W	108 (5)
C4A—C5A—H52A	109.6	H11W—O1W—H12W	109 (5)
H51A—C5A—H52A	108.1

Symmetry code: (i) −x+1, −y+1, −z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H11W···Cl2	0.84 (5)	2.43 (5)	3.248 (3)	167 (4)
O2W—H21W···Cl6ⁱⁱ	0.80 (5)	2.58 (5)	3.353 (3)	163 (5)
O2W—H22W···Cl2ⁱⁱⁱ	0.80 (6)	2.37 (6)	3.170 (3)	174 (6)
N3A—H31A···O1Wⁱⁱ	0.90	1.91	2.805 (5)	178
N3A—H32A···O2W	0.90	1.95	2.843 (5)	171
N3B—H31B···Cl1^iv	0.90	2.61	3.233 (3)	127
N3B—H31B···Cl5^iv	0.90	2.47	3.202 (3)	138
N3B—H32B···Cl1	0.90	2.81	3.273 (3)	113
N3B—H32B···Cl3	0.90	2.37	3.231 (3)	160
N6A—H61A···Cl2^v	0.90	2.64	3.334 (3)	134
N6A—H61A···Cl3^v	0.90	2.62	3.330 (3)	136
N6A—H62A···Cl5^vi	0.90	2.61	3.344 (3)	140
N6A—H62A···Cl6^vi	0.90	2.77	3.502 (3)	139
C2B—H21B···O1W	0.97	2.47	3.306 (5)	144
C2A—H21A···Cl1ⁱⁱ	0.97	2.72	3.470 (3)	135
C2B—H22B···Cl3ⁱ	0.97	2.83	3.607 (3)	138
C4A—H41A···Cl4^vi	0.97	2.76	3.620 (3)	148
C4A—H42A···Cl6ⁱⁱⁱ	0.97	2.74	3.577 (3)	145

Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1, y, z; (iii) −x+1, −y+1, −z+1; (iv) −x, −y+1, −z; (v) x, y+1, z; (vi) x+1, y+1, z.

Experimental details

Crystal data
Chemical formula	(C₄H₁₂N₂)₃[InCl₆]₂·4H₂O
M_r	991.57
Crystal system, space group	Triclinic, P1
Temperature (K)	295
a, b, c (Å)	7.9267 (3), 10.0940 (3), 11.8265 (5)
α, β, γ (°)	89.780 (1), 89.634 (1), 73.087 (2)
V (Å³)	905.31 (6)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	2.19
Crystal size (mm)	0.15 × 0.06 × 0.05

Data collection
Diffractometer	Nonius KappaCCD diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 2002)
T_min, T_max	0.773, 0.938
No. of measured, independent and observed [I > 2σ(I)] reflections	7414, 4131, 3293
R_int	0.024
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.030, 0.069, 1.09
No. of reflections	4131
No. of parameters	163
No. of restraints	1
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.61, −0.75

Computer programs: COLLECT (Hooft, 1998), DENZO (Otwinowski & Minor, 1997), SCALEPACK (Otwinowski & Minor, 1997), SIR2002 (Burla et al., 2003), SHELXL97 (Sheldrick, 2008), PLATON (Spek, 2009) and DIAMOND (Brandenburg et al., 2001), WinGX (Farrugia, 1999).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H11W···Cl2	0.84 (5)	2.43 (5)	3.248 (3)	167 (4)
O2W—H21W···Cl6ⁱ	0.80 (5)	2.58 (5)	3.353 (3)	163 (5)
O2W—H22W···Cl2ⁱⁱ	0.80 (6)	2.37 (6)	3.170 (3)	174 (6)
N3A—H31A···O1Wⁱ	0.90	1.91	2.805 (5)	178
N3A—H32A···O2W	0.90	1.95	2.843 (5)	171
N3B—H31B···Cl1ⁱⁱⁱ	0.90	2.61	3.233 (3)	127
N3B—H31B···Cl5ⁱⁱⁱ	0.90	2.47	3.202 (3)	138
N3B—H32B···Cl1	0.90	2.81	3.273 (3)	113
N3B—H32B···Cl3	0.90	2.37	3.231 (3)	160
N6A—H61A···Cl2^iv	0.90	2.64	3.334 (3)	134
N6A—H61A···Cl3^iv	0.90	2.62	3.330 (3)	136
N6A—H62A···Cl5^v	0.90	2.61	3.344 (3)	140
N6A—H62A···Cl6^v	0.90	2.77	3.502 (3)	139
C2B—H21B···O1W	0.97	2.47	3.306 (5)	144
C2A—H21A···Cl1ⁱ	0.97	2.72	3.470 (3)	135
C2B—H22B···Cl3^vi	0.97	2.83	3.607 (3)	138
C4A—H41A···Cl4^v	0.97	2.76	3.620 (3)	148
C4A—H42A···Cl6ⁱⁱ	0.97	2.74	3.577 (3)	145

Symmetry codes: (i) x+1, y, z; (ii) −x+1, −y+1, −z+1; (iii) −x, −y+1, −z; (iv) x, y+1, z; (v) x+1, y+1, z; (vi) −x+1, −y+1, −z.

Acknowledgements

This work was supported by the Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Mentouri-Constantine, Algeria. Thanks are due to MESRS (Ministére de l'Enseignement Supérieur et de la Recherche Scientifique - Algérie) for financial support.

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