Hexaaqua­gallium(III) trinitrate trihydrate

Hendsbee, A.D.; Pye, C.C.; Masuda, J.D.

doi:10.1107/S1600536809028086

inorganic compounds

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Volume 65| Part 8| August 2009| Page i65

doi:10.1107/S1600536809028086

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Hexaaquagallium(III) trinitrate trihydrate

Arthur D. Hendsbee,^a Cory C. Pye ^a and Jason D. Masuda ^a ^*

^aDepartment of Chemistry, Saint Mary's University, Halifax, Nova Scotia, Canada B3H 3C3
^*Correspondence e-mail: jason.masuda@smu.ca

(Received 9 July 2009; accepted 16 July 2009; online 22 July 2009)

The title compound, [Ga(H₂O)₆](NO₃)₃·3H₂O, is isostructural to other known M^III nitrate hydrates (M = Al, Cr, Fe). The structure contains two distinct octahedral Ga(OH₂)₆ units (each of $[\overline{1}]$ symmetry) which are involved in intermolecular hydrogen bonding with the three nitrate anions and three water molecules within the asymmetric unit.

Related literature

For the the aluminium analogue, see: Lazar, Ribár, Divjaković & Mészáros (1991 ). For the chromium analogue, see: Lazar, Ribár & Prelesnik (1991 ). For the iron analogue, see: Hair & Beattie (1977 ). For ionic radii, see: Shannon & Prewitt (1969 ). Gallium nitrate, used in the preparation, easily forms supersaturated solutions, see: Rudolph et al. (2002 ), and hence the sample was cooled to 248 K and a seed crystal was introduced to initiate crystallization.

Experimental

Crystal data

[Ga(H₂O)₆](NO₃)₃·3H₂O
M_r = 417.89
Monoclinic, P 2₁ /c
a = 13.9609 (6) Å
b = 9.6498 (5) Å
c = 10.9743 (5) Å
β = 95.448 (1)°
V = 1471.78 (12) Å³
Z = 4
Mo Kα radiation
μ = 1.97 mm⁻¹
T = 296 K
0.40 × 0.34 × 0.29 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2008 ) T_min = 0.479, T_max = 0.564
10587 measured reflections
3037 independent reflections
2509 reflections with I > 2σ(I)
R_int = 0.015

Refinement

R[F² > 2σ(F²)] = 0.021
wR(F²) = 0.058
S = 1.05
3037 reflections
274 parameters
18 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.48 e Å⁻³
Δρ_min = −0.33 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O18—H18⋯O8	0.801 (16)	2.26 (2)	2.9348 (18)	142 (2)
O16—H14⋯O18	0.825 (15)	2.072 (15)	2.8732 (19)	163.8 (19)
O5—H10⋯O7	0.823 (16)	1.908 (17)	2.7052 (17)	163 (2)
O1—H1⋯O16	0.814 (15)	1.846 (16)	2.6474 (16)	168 (2)
O4—H7⋯O14	0.809 (15)	1.833 (15)	2.6399 (15)	175 (2)
O5—H9⋯O17	0.810 (16)	1.869 (16)	2.676 (2)	174 (2)
O18—H17⋯O14	0.816 (16)	2.082 (17)	2.8729 (18)	163 (2)
O3—H6⋯O15ⁱ	0.814 (15)	1.903 (16)	2.7150 (16)	175 (2)
O1—H2⋯O10ⁱ	0.808 (15)	1.848 (16)	2.6545 (16)	175 (2)
O2—H4⋯O16ⁱ	0.790 (16)	1.901 (16)	2.6895 (18)	175 (2)
O4—H8⋯O17ⁱⁱ	0.821 (15)	1.816 (15)	2.6312 (16)	171 (2)
O17—H15⋯O9ⁱⁱ	0.808 (15)	1.977 (16)	2.7791 (19)	171 (2)
O3—H5⋯O13ⁱⁱⁱ	0.792 (15)	1.961 (16)	2.7454 (16)	171 (2)
O6—H12⋯O12^iv	0.796 (15)	1.926 (16)	2.7179 (16)	174 (2)
O16—H13⋯O18^v	0.820 (16)	1.934 (16)	2.7525 (19)	177 (3)
O6—H11⋯O11^vi	0.800 (15)	1.895 (16)	2.6938 (17)	176 (2)
O2—H3⋯O8^vii	0.794 (15)	1.943 (16)	2.7269 (17)	169 (2)
O17—H16⋯O7^viii	0.802 (16)	2.026 (18)	2.7675 (18)	154 (2)
Symmetry codes: (i) $[x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (ii) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) x, y, z-1; (iv) $[x-1, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (v) -x+1, -y, -z+1; (vi) x-1, y, z; (vii) -x+1, -y, -z; (viii) $[-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); 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 for Windows (Farrugia, 1997 ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809028086/mg2076sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809028086/mg2076Isup2.hkl

checkCIF report

Comment top

The title compound is isostructural with [Al(H₂O)₆](NO₃)₃.3H₂O (Lazar, Ribár, Divjaković & Mészáros, 1991), [Cr(H₂O)₆](NO₃)₃.3H₂O (Lazar, Ribár & Prelesnik, 1991) and [Fe(H₂O)₆](NO₃)₃.3H₂O (Hair & Beattie, 1977). Its unit cell volume is almost identical to that of the chromium derivative (1473.87 (17) Å³) and intermediate between those of the aluminum (1448.9 (4) Å³) and iron derivatives 1489.8 (2) Å³), consistent with the values of ionic radii (Ga³⁺, 0.760 Å; Cr³⁺, 0.755 Å; Al³⁺, 0.670 Å; Fe³⁺, 0.785 Å) (Shannon & Prewitt, 1969). On each of the octahedral units there are two symmetry-related water molecules which hydrogen bond to two NO₃^- anions. The remaining metal-bound water molecules participate in intermolecular hydrogen bonding with one NO₃^- anion and one of the interstitial H₂O molecules.

Related literature top

For the the aluminium analogue, see: Lazar, Ribár, Divjaković & Mészáros (1991). For the chromium analogue, see: Lazar, Ribár & Prelesnik (1991). For the iron analogue, see: Hair & Beattie (1977). For ionic radii, see: Shannon & Prewitt (1969). Gallium nitrate, used in the preparation, easily forms supersaturated solutions, see: Rudolph et al. (2002) and hence the sample was cooled to 248 K and a seed crystal was introduced to initiate crystallization.

Experimental top

The title compound was prepared by dissolving 5 grams of gallium(III) nitrate hydrate (Aldrich Chemical Company) in a minimum of H₂O (approximately 7 ml) and adding three drops of concentrated nitric acid to suppress hydrolysis. Because gallium nitrate easily forms supersaturated solutions (Rudolph et al., 2002), the sample was cooled to 248 K and a seed crystal was introduced to initiate crystallization. A suitable crystal was sealed in a glass capillary to prevent water loss from this hygroscopic material.

Computing details top

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. [Ga(H₂O)₆](NO₃).3H₂O with thermal ellipsoids shown at 50% probability level.
	Fig. 2. Packing diagram viewed down the c-axis with hydrogen bonds indicated by dashed lines.

Hexaaquagallium(III) trinitrate trihydrate top

Crystal data top

[Ga(H₂O)₆](NO₃)₃·3H₂O	F(000) = 856
M_r = 417.89	D_x = 1.886 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5403 reflections
a = 13.9609 (6) Å	θ = 2.3–28.3°
b = 9.6498 (5) Å	µ = 1.97 mm⁻¹
c = 10.9743 (5) Å	T = 296 K
β = 95.448 (1)°	Irregular, colourless
V = 1471.78 (12) Å³	0.40 × 0.34 × 0.29 mm
Z = 4

Data collection top

Bruker APEXII CCD diffractometer	3037 independent reflections
Radiation source: fine-focus sealed tube	2509 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.015
ϕ and ω scans	θ_max = 26.5°, θ_min = 2.6°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −17→17
T_min = 0.479, T_max = 0.564	k = −12→10
10587 measured reflections	l = −13→13

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)] = 0.021	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.058	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ²(F_o²) + (0.0301P)² + 0.4119P] where P = (F_o² + 2F_c²)/3
3037 reflections	(Δ/σ)_max < 0.001
274 parameters	Δρ_max = 0.48 e Å⁻³
18 restraints	Δρ_min = −0.33 e Å⁻³

Crystal data top

[Ga(H₂O)₆](NO₃)₃·3H₂O	V = 1471.78 (12) Å³
M_r = 417.89	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 13.9609 (6) Å	µ = 1.97 mm⁻¹
b = 9.6498 (5) Å	T = 296 K
c = 10.9743 (5) Å	0.40 × 0.34 × 0.29 mm
β = 95.448 (1)°

Data collection top

Bruker APEXII CCD diffractometer	3037 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2008)	2509 reflections with I > 2σ(I)
T_min = 0.479, T_max = 0.564	R_int = 0.015
10587 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.021	18 restraints
wR(F²) = 0.058	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	Δρ_max = 0.48 e Å⁻³
3037 reflections	Δρ_min = −0.33 e Å⁻³
274 parameters

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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
Ga1	0.5000	0.0000	0.0000	0.01867 (8)
Ga2	0.0000	0.0000	0.5000	0.02131 (8)
N1	0.19260 (10)	0.00919 (13)	0.12573 (13)	0.0285 (3)
N2	0.29851 (9)	0.18907 (14)	0.70878 (11)	0.0268 (3)
N3	0.78610 (9)	0.28563 (14)	0.71869 (11)	0.0293 (3)
O1	0.57018 (8)	0.08802 (13)	0.13967 (10)	0.0306 (3)
H2	0.6187 (12)	0.132 (2)	0.1335 (19)	0.051 (6)*
H1	0.5546 (14)	0.088 (2)	0.2093 (15)	0.051 (6)*
O2	0.57327 (8)	0.10539 (13)	−0.11126 (10)	0.0294 (2)
H4	0.5629 (16)	0.1854 (17)	−0.121 (2)	0.053 (7)*
H3	0.6243 (12)	0.082 (2)	−0.1307 (18)	0.054 (6)*
O3	0.40601 (8)	0.14903 (12)	−0.00574 (10)	0.0269 (2)
H6	0.3964 (15)	0.190 (2)	0.0569 (16)	0.051 (6)*
H5	0.3607 (13)	0.150 (2)	−0.0550 (17)	0.051 (6)*
O4	0.07132 (8)	0.09427 (14)	0.63446 (10)	0.0327 (3)
H8	0.0636 (14)	0.093 (2)	0.7077 (14)	0.043 (5)*
H7	0.1244 (12)	0.121 (2)	0.6219 (19)	0.051 (6)*
O5	0.07408 (9)	0.10908 (14)	0.39031 (10)	0.0339 (3)
H10	0.0971 (15)	0.084 (2)	0.3275 (17)	0.065 (7)*
H9	0.0633 (16)	0.1911 (17)	0.381 (2)	0.054 (7)*
O6	−0.09607 (8)	0.14720 (14)	0.49563 (11)	0.0358 (3)
H12	−0.1406 (13)	0.147 (2)	0.4446 (18)	0.054 (7)*
H11	−0.1078 (16)	0.183 (2)	0.5582 (17)	0.055 (7)*
O7	0.11323 (8)	0.04401 (15)	0.16045 (11)	0.0439 (3)
O8	0.26475 (9)	−0.00369 (13)	0.19969 (12)	0.0430 (3)
O9	0.19968 (11)	−0.01084 (15)	0.01616 (12)	0.0529 (4)
O10	0.72635 (8)	0.25702 (13)	0.62972 (10)	0.0369 (3)
O11	0.87278 (8)	0.26164 (15)	0.71226 (11)	0.0473 (3)
O12	0.75836 (8)	0.33667 (15)	0.81328 (10)	0.0424 (3)
O13	0.26276 (8)	0.16544 (14)	0.80530 (10)	0.0395 (3)
O14	0.24653 (7)	0.18488 (13)	0.60783 (9)	0.0339 (3)
O15	0.38523 (7)	0.21721 (14)	0.70780 (10)	0.0400 (3)
O16	0.53516 (9)	0.12179 (13)	0.37069 (11)	0.0333 (3)
H14	0.4793 (11)	0.108 (2)	0.3864 (17)	0.043 (6)*
H13	0.5662 (15)	0.076 (2)	0.4232 (18)	0.063 (7)*
O17	0.05170 (9)	0.38374 (14)	0.36978 (11)	0.0362 (3)
H15	0.0906 (14)	0.427 (2)	0.4140 (19)	0.057 (7)*
H16	0.0021 (13)	0.420 (2)	0.383 (2)	0.056 (7)*
O18	0.35675 (10)	0.02473 (15)	0.45021 (13)	0.0410 (3)
H17	0.3188 (14)	0.075 (2)	0.482 (2)	0.064 (8)*
H18	0.3232 (17)	−0.016 (2)	0.399 (2)	0.062 (8)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ga1	0.01679 (12)	0.02124 (13)	0.01796 (12)	0.00073 (8)	0.00156 (8)	−0.00138 (8)
Ga2	0.01777 (12)	0.02999 (15)	0.01606 (12)	−0.00007 (8)	0.00097 (8)	−0.00210 (8)
N1	0.0297 (7)	0.0278 (8)	0.0280 (7)	−0.0019 (5)	0.0029 (6)	0.0003 (5)
N2	0.0238 (6)	0.0302 (7)	0.0261 (6)	−0.0027 (5)	0.0002 (5)	0.0037 (5)
N3	0.0290 (7)	0.0308 (7)	0.0275 (7)	0.0044 (6)	−0.0005 (5)	−0.0004 (5)
O1	0.0271 (6)	0.0417 (7)	0.0227 (6)	−0.0094 (5)	0.0012 (4)	−0.0071 (5)
O2	0.0258 (6)	0.0284 (7)	0.0356 (6)	0.0032 (5)	0.0116 (5)	0.0065 (5)
O3	0.0245 (5)	0.0316 (6)	0.0240 (6)	0.0097 (5)	−0.0002 (4)	−0.0029 (5)
O4	0.0246 (6)	0.0536 (8)	0.0196 (6)	−0.0108 (5)	0.0018 (4)	−0.0078 (5)
O5	0.0395 (6)	0.0376 (8)	0.0265 (6)	−0.0047 (6)	0.0119 (5)	0.0013 (5)
O6	0.0314 (6)	0.0480 (8)	0.0269 (6)	0.0158 (5)	−0.0024 (5)	−0.0064 (5)
O7	0.0317 (6)	0.0576 (8)	0.0446 (7)	0.0009 (6)	0.0141 (5)	−0.0047 (6)
O8	0.0379 (7)	0.0536 (9)	0.0361 (7)	0.0013 (5)	−0.0045 (5)	0.0039 (5)
O9	0.0524 (9)	0.0741 (11)	0.0329 (7)	0.0144 (7)	0.0072 (6)	−0.0110 (6)
O10	0.0353 (6)	0.0431 (7)	0.0301 (6)	0.0072 (5)	−0.0080 (5)	−0.0057 (5)
O11	0.0271 (6)	0.0721 (10)	0.0422 (7)	0.0116 (6)	0.0006 (5)	−0.0133 (6)
O12	0.0339 (6)	0.0605 (9)	0.0324 (6)	0.0064 (6)	0.0018 (5)	−0.0149 (6)
O13	0.0301 (6)	0.0633 (9)	0.0255 (6)	−0.0049 (6)	0.0053 (5)	0.0088 (6)
O14	0.0262 (5)	0.0503 (7)	0.0242 (5)	−0.0054 (5)	−0.0023 (4)	0.0028 (5)
O15	0.0214 (5)	0.0629 (9)	0.0350 (6)	−0.0103 (5)	−0.0009 (4)	0.0128 (6)
O16	0.0336 (6)	0.0346 (7)	0.0323 (6)	0.0031 (5)	0.0066 (5)	0.0016 (5)
O17	0.0311 (6)	0.0496 (8)	0.0279 (6)	−0.0003 (6)	0.0024 (5)	−0.0019 (5)
O18	0.0383 (7)	0.0469 (8)	0.0365 (7)	−0.0027 (6)	−0.0027 (6)	−0.0091 (6)

Geometric parameters (Å, º) top

Ga1—O1	1.9354 (10)	Ga2—O5	1.9654 (11)
Ga1—O1ⁱ	1.9354 (10)	N1—O9	1.2311 (19)
Ga1—O3	1.9438 (10)	N1—O8	1.2385 (18)
Ga1—O3ⁱ	1.9438 (10)	N1—O7	1.2513 (18)
Ga1—O2	1.9515 (11)	N2—O13	1.2343 (16)
Ga1—O2ⁱ	1.9515 (11)	N2—O15	1.2418 (16)
Ga2—O4ⁱⁱ	1.9280 (10)	N2—O14	1.2660 (16)
Ga2—O4	1.9280 (10)	N3—O11	1.2407 (17)
Ga2—O6ⁱⁱ	1.9510 (12)	N3—O12	1.2435 (17)
Ga2—O6	1.9510 (12)	N3—O10	1.2533 (16)
Ga2—O5ⁱⁱ	1.9654 (11)

O1—Ga1—O1ⁱ	180.0	O6ⁱⁱ—Ga2—O6	180.00 (8)
O1—Ga1—O3	89.45 (5)	O4ⁱⁱ—Ga2—O5ⁱⁱ	87.28 (5)
O1ⁱ—Ga1—O3	90.55 (5)	O4—Ga2—O5ⁱⁱ	92.72 (5)
O1—Ga1—O3ⁱ	90.55 (5)	O6ⁱⁱ—Ga2—O5ⁱⁱ	89.74 (6)
O1ⁱ—Ga1—O3ⁱ	89.45 (5)	O6—Ga2—O5ⁱⁱ	90.26 (6)
O3—Ga1—O3ⁱ	180.0	O4ⁱⁱ—Ga2—O5	92.72 (5)
O1—Ga1—O2	90.62 (5)	O4—Ga2—O5	87.28 (5)
O1ⁱ—Ga1—O2	89.38 (5)	O6ⁱⁱ—Ga2—O5	90.26 (6)
O3—Ga1—O2	89.23 (5)	O6—Ga2—O5	89.74 (6)
O3ⁱ—Ga1—O2	90.77 (5)	O5ⁱⁱ—Ga2—O5	180.0
O1—Ga1—O2ⁱ	89.38 (5)	O9—N1—O8	119.25 (15)
O1ⁱ—Ga1—O2ⁱ	90.62 (5)	O9—N1—O7	119.68 (14)
O3—Ga1—O2ⁱ	90.77 (5)	O8—N1—O7	121.06 (14)
O3ⁱ—Ga1—O2ⁱ	89.23 (5)	O13—N2—O15	121.45 (12)
O2—Ga1—O2ⁱ	179.999 (2)	O13—N2—O14	120.01 (12)
O4ⁱⁱ—Ga2—O4	180.0	O15—N2—O14	118.54 (12)
O4ⁱⁱ—Ga2—O6ⁱⁱ	88.81 (5)	O11—N3—O12	120.28 (13)
O4—Ga2—O6ⁱⁱ	91.19 (5)	O11—N3—O10	119.68 (13)
O4ⁱⁱ—Ga2—O6	91.19 (5)	O12—N3—O10	120.04 (12)
O4—Ga2—O6	88.81 (5)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O18—H18···O8	0.80 (2)	2.26 (2)	2.9348 (18)	142 (2)
O16—H14···O18	0.83 (2)	2.07 (2)	2.8732 (19)	164 (2)
O5—H10···O7	0.82 (2)	1.91 (2)	2.7052 (17)	163 (2)
O1—H1···O16	0.81 (2)	1.85 (2)	2.6474 (16)	168 (2)
O4—H7···O14	0.81 (2)	1.83 (2)	2.6399 (15)	175 (2)
O5—H9···O17	0.81 (2)	1.87 (2)	2.676 (2)	174 (2)
O18—H17···O14	0.82 (2)	2.08 (2)	2.8729 (18)	163 (2)
O3—H6···O15ⁱⁱⁱ	0.81 (2)	1.90 (2)	2.7150 (16)	175 (2)
O1—H2···O10ⁱⁱⁱ	0.81 (2)	1.85 (2)	2.6545 (16)	175 (2)
O2—H4···O16ⁱⁱⁱ	0.79 (2)	1.90 (2)	2.6895 (18)	175 (2)
O4—H8···O17^iv	0.82 (2)	1.82 (2)	2.6312 (16)	171 (2)
O17—H15···O9^iv	0.81 (2)	1.98 (2)	2.7791 (19)	171 (2)
O3—H5···O13^v	0.79 (2)	1.96 (2)	2.7454 (16)	171 (2)
O6—H12···O12^vi	0.80 (2)	1.93 (2)	2.7179 (16)	174 (2)
O16—H13···O18^vii	0.82 (2)	1.93 (2)	2.7525 (19)	177 (3)
O6—H11···O11^viii	0.80 (2)	1.90 (2)	2.6938 (17)	176 (2)
O2—H3···O8ⁱ	0.79 (2)	1.94 (2)	2.7269 (17)	169 (2)
O17—H16···O7^ix	0.80 (2)	2.03 (2)	2.7675 (18)	154 (2)

Symmetry codes: (i) −x+1, −y, −z; (iii) x, −y+1/2, z−1/2; (iv) x, −y+1/2, z+1/2; (v) x, y, z−1; (vi) x−1, −y+1/2, z−1/2; (vii) −x+1, −y, −z+1; (viii) x−1, y, z; (ix) −x, y+1/2, −z+1/2.

Experimental details

Crystal data
Chemical formula	[Ga(H₂O)₆](NO₃)₃·3H₂O
M_r	417.89
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	296
a, b, c (Å)	13.9609 (6), 9.6498 (5), 10.9743 (5)
β (°)	95.448 (1)
V (Å³)	1471.78 (12)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.97
Crystal size (mm)	0.40 × 0.34 × 0.29

Data collection
Diffractometer	Bruker APEXII CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2008)
T_min, T_max	0.479, 0.564
No. of measured, independent and observed [I > 2σ(I)] reflections	10587, 3037, 2509
R_int	0.015
(sin θ/λ)_max (Å⁻¹)	0.628

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.021, 0.058, 1.05
No. of reflections	3037
No. of parameters	274
No. of restraints	18
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.48, −0.33

Computer programs: APEX2 (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 1997), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O18—H18···O8	0.801 (16)	2.26 (2)	2.9348 (18)	142 (2)
O16—H14···O18	0.825 (15)	2.072 (15)	2.8732 (19)	163.8 (19)
O5—H10···O7	0.823 (16)	1.908 (17)	2.7052 (17)	163 (2)
O1—H1···O16	0.814 (15)	1.846 (16)	2.6474 (16)	168 (2)
O4—H7···O14	0.809 (15)	1.833 (15)	2.6399 (15)	175 (2)
O5—H9···O17	0.810 (16)	1.869 (16)	2.676 (2)	174 (2)
O18—H17···O14	0.816 (16)	2.082 (17)	2.8729 (18)	163 (2)
O3—H6···O15ⁱ	0.814 (15)	1.903 (16)	2.7150 (16)	175 (2)
O1—H2···O10ⁱ	0.808 (15)	1.848 (16)	2.6545 (16)	175 (2)
O2—H4···O16ⁱ	0.790 (16)	1.901 (16)	2.6895 (18)	175 (2)
O4—H8···O17ⁱⁱ	0.821 (15)	1.816 (15)	2.6312 (16)	171 (2)
O17—H15···O9ⁱⁱ	0.808 (15)	1.977 (16)	2.7791 (19)	171 (2)
O3—H5···O13ⁱⁱⁱ	0.792 (15)	1.961 (16)	2.7454 (16)	171 (2)
O6—H12···O12^iv	0.796 (15)	1.926 (16)	2.7179 (16)	174 (2)
O16—H13···O18^v	0.820 (16)	1.934 (16)	2.7525 (19)	177 (3)
O6—H11···O11^vi	0.800 (15)	1.895 (16)	2.6938 (17)	176 (2)
O2—H3···O8^vii	0.794 (15)	1.943 (16)	2.7269 (17)	169 (2)
O17—H16···O7^viii	0.802 (16)	2.026 (18)	2.7675 (18)	154 (2)

Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) x, −y+1/2, z+1/2; (iii) x, y, z−1; (iv) x−1, −y+1/2, z−1/2; (v) −x+1, −y, −z+1; (vi) x−1, y, z; (vii) −x+1, −y, −z; (viii) −x, y+1/2, −z+1/2.

Acknowledgements

The authors thank Saint Mary's University, the Saint Mary's University Student Employment Experience Program (ADH) and the Natural Sciences and Engineering Research Council (CCP) for financial support.

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