Crystal structures of Sr(ClO4)2·3H2O, Sr(ClO4)2·4H2O and Sr(ClO4)2·9H2O

Hennings, E.; Schmidt, H.; Voigt, W.

doi:10.1107/S1600536814024726

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ISSN: 2056-9890

Volume 70| Part 12| December 2014| Pages 510-514

doi:10.1107/S1600536814024726

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Crystal structures of Sr(ClO₄)₂·3H₂O, Sr(ClO₄)₂·4H₂O and Sr(ClO₄)₂·9H₂O

Erik Hennings,^a Horst Schmidt ^a ^* and Wolfgang Voigt ^a

^aTU Bergakademie Freiberg, Institute of Inorganic Chemistry, Leipziger Strasse 29, D-09596 Freiberg, Germany
^*Correspondence e-mail: Horst.Schmidt@chemie.tu-freiberg.de

Edited by M. Weil, Vienna University of Technology, Austria (Received 15 October 2014; accepted 11 November 2014; online 15 November 2014)

The title compounds, strontium perchlorate trihydrate {di-μ-aqua-aquadi-μ-perchlorato-strontium, [Sr(ClO₄)₂(H₂O)₃]_n}, strontium perchlorate tetrahydrate {di-μ-aqua-bis(triaquadiperchloratostrontium), [Sr₂(ClO₄)₄(H₂O)₈]} and strontium perchlorate nonahydrate {heptaaquadiperchloratostrontium dihydrate, [Sr(ClO₄)₂(H₂O)₇]·2H₂O}, were crystallized at low temperatures according to the solid–liquid phase diagram. The structures of the tri- and tetrahydrate consist of Sr²⁺ cations coordinated by five water molecules and four O atoms of four perchlorate tetrahedra in a distorted tricapped trigonal–prismatic coordination mode. The asymmetric unit of the trihydrate contains two formula units. Two [SrO₉] polyhedra in the trihydrate are connected by sharing water molecules and thus forming chains parallel to [100]. In the tetrahydrate, dimers of two [SrO₉] polyhedra connected by two sharing water molecules are formed. The structure of the nonahydrate contains one Sr²⁺ cation coordinated by seven water molecules and by two O atoms of two perchlorate tetrahedra (point group symmetry ..m), forming a tricapped trigonal prism (point group symmetry m2m). The structure contains additional non-coordinating water molecules, which are located on twofold rotation axes. O—H⋯O hydrogen bonds between the water molecules as donor and ClO₄ tetrahedra and water molecules as acceptor groups lead to the formation of a three-dimensional network in each of the three structures.

Keywords: crystal structure; low-temperature salt hydrates; perchlorate hydrates; strontium salts.

CCDC references: 1033590; 1033589; 1033588

1. Chemical context

The amount of research into perchlorates has increased considerably in the last few years, beginning with the Phoenix Mars mission (Kim et al., 2013 ; Kerr, 2013 ; Chevrier et al., 2009 ; Quinn et al., 2013 ; Davila et al., 2013 ; Gough et al., 2011 ; Navarro-González & McKay, 2011 ; Robertson & Bish, 2011 ; Schuttlefield et al., 2011 ; Navarro-González et al., 2010 ; Marion et al., 2010 ; Hecht et al., 2009 ). Important perchlorate salts in the martian regolith are Mg and Ca perchlorates. It seemed worthwhile to complete the chemical systematics in this series of alkaline-earth perchlorates. The solubility diagram of strontium perchlorate has been investigated by several authors (Pestova et al., 2005 ; Lilich & Djurinskii, 1956 ; Nicholson & Felsing, 1950 ; Willard & Smith, 1923 ) in different temperature and concentration regions. They reported the tetrahydrate and the hexahydrate to be stable phases. While re-investigating the phase diagram, we found at higher temperatures the trihydrate, the tetrahydrate at room temperature and the nonahydrate near the eutectic temperature. The existence of the hexahydrate could not be confirmed.

2. Structural commentary

The crystal structure of strontium perchlorate trihydrate contains two crystallographically distinct Sr²⁺cations. Both are coordinated by five water molecules and four monodentately bonding perchlorate tetrahedra (Fig. 1). Four of the five water molecules (O1, O6 and O3, O4) share edges between two Sr²⁺ cations, resulting in chains with alternating Sr1 and Sr2 cations. The chains extend parallel to [100] (Fig. 2). The crystal structure of strontium perchlorate tetrahydrate is similar to the trihydrate, but different to the magnesium analogue (Robertson & Bish, 2010 ; Solovyov, 2012 ) or mercury perchlorate tetrahydrate (Johansson et al., 1966 ). Two symmetry-related Sr²⁺ cations, both coordinated by five water molecules and four monodentate perchlorate tetrahedra, form dimers by sharing two water molecules. In strontium perchlorate nonahydrate, the Sr²⁺ cation occupies a single crystallographic site with site symmetry m2m. It is coordinated by seven water molecules and two monodentate perchlorate tetrahedra (point group symmetry ..m; Fig. 3a) within a tricapped trigonal-prismatic oxygen coordination environment (Fig. 3b). Thereby, the trigonal base planes are chosen such that each oxygen atom of the perchlorate anions represents a capping atom. The third cap is provided by a water oxygen atom.

Figure 1
Coordination around the Sr1²⁺ cation in Sr(ClO₄)₂·3H₂O. Atoms O3 and O4 as well as O6 and O1 are shared between two different Sr²⁺ cations. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) $[{1\over 2}]$ − x, − $[{1\over 2}]$ + y, $[{1\over 2}]$ − z; (ii) − $[{1\over 2}]$ + x, $[{3\over 2}]$ − y, $[{1\over 2}]$ + z.]

Figure 2
Formation of chains parallel [100] by sharing water molecules in the structure of Sr(ClO₄)₂·3H₂O.

Figure 3
(a) Coordination around the Sr²⁺ cation and (b) the resulting coordination polyhedron in the structure of Sr(ClO₄)₂·9H₂O. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, y, $[{3\over 2}]$ − z; (ii) 2 − x, y, z; (iii) 2 − x, y, $[{3\over 2}]$ − z.]

3. Supramolecular features

In strontium perchlorate trihydrate, chains are formed with alternating Sr²⁺ cations (Fig. 2). These zigzag chains are oriented parallel to [100] and are linked by edge-sharing with the perchlorate tetrahedra (Fig. 4) into a layered arrangement parallel to (001), as shown in Fig. 5. Within the structure of the tetrahydrate, each perchlorate anion coordinates to the dimeric unit of two Sr²⁺ cations (Fig. 6). At the same time, it also coordinates to another dimeric unit. Thus, each dimeric unit is connected pairwise by perchlorate anions with four others. This yields in (001) layers stacked along [001], as visualized in Fig. 7. The nonahydrate structure contains additional lattice water molecules, which are both donor and acceptor groups, resulting in a tetrahedral arrangement of O—H⋯O hydrogen bonds. Two hydrogen bonds are formed towards the [SrO₂(OH₂)₇] coordination polyhedra and two towards perchlorate tetrahedra (Fig. 8a, Table 1). The [SrO₂(OH₂)₇] polyhedra additionally are linked via other O—H⋯O hydrogen bonds. The resulting arrangement can be seen in a larger section of the structure (Fig. 8b). O—H⋯O hydrogen bonds also dominate the crystal packing in the two other structures, in each case leading to the formation of a three-dimensional network (Tables 2 and 3).

Table 1
Hydrogen-bond geometry (Å, °) for Sr(ClO₄)₂·9H₂O

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1B⋯O7ⁱ	0.84 (1)	2.02 (2)	2.844 (4)	169 (5)
O1—H1A⋯O4	0.84 (1)	1.98 (1)	2.811 (4)	170 (5)
O2—H2A⋯O1ⁱⁱ	0.84 (1)	1.99 (2)	2.780 (4)	156 (5)
O3—H3A⋯O2ⁱ	0.84 (1)	2.05 (3)	2.851 (5)	158 (7)
O4—H4A⋯O6ⁱⁱⁱ	0.84 (1)	2.62 (3)	3.337 (2)	144 (4)
O4—H4A⋯O7^iv	0.84 (1)	2.39 (3)	3.041 (4)	135 (4)
Symmetry codes: (i) x, y+1, z; (ii) -x+1, -y, -z+1; (iii) x, -y, -z+1; (iv) $[-x+{\script{1\over 2}}, -y-{\script{1\over 2}}, -z+1]$ .

Table 2
Hydrogen-bond geometry (Å, °) for Sr(ClO₄)₂·3H₂O

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯O5ⁱ	0.84 (1)	2.13 (4)	2.683 (4)	123 (4)
O1—H1B⋯O18ⁱ	0.84 (1)	2.07 (2)	2.858 (4)	158 (4)
O2—H2B⋯O16ⁱⁱ	0.84 (1)	2.10 (1)	2.923 (4)	169 (4)
O2—H2A⋯O16	0.84 (1)	2.17 (2)	2.992 (4)	167 (7)
O3—H3A⋯O18ⁱⁱⁱ	0.84 (1)	1.96 (1)	2.793 (4)	172 (4)
O3—H3B⋯O17^iv	0.84 (1)	2.06 (2)	2.857 (4)	159 (4)
O4—H4B⋯O21^v	0.84 (1)	2.15 (2)	2.953 (4)	161 (5)
O4—H4A⋯O22^vi	0.84 (1)	2.42 (2)	3.173 (4)	150 (4)
O6—H6A⋯O14ⁱⁱⁱ	0.84 (7)	2.56 (7)	3.069 (4)	121 (5)
O6—H6A⋯O19^vii	0.84 (7)	2.19 (7)	2.964 (4)	155 (6)
O6—H6B⋯O17^viii	0.92 (6)	2.09 (6)	2.920 (4)	150 (5)
O7—H7A⋯O20^ix	0.84 (1)	2.31 (4)	3.044 (4)	146 (7)
O7—H7A⋯O22^vi	0.84 (1)	2.44 (7)	2.902 (4)	116 (6)
O7—H7B⋯O17^viii	0.84 (1)	2.48 (5)	2.916 (4)	114 (4)
O7—H7B⋯O20^v	0.84 (1)	2.25 (2)	3.071 (4)	167 (5)
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y+1, -z; (iii) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iv) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (v) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (vi) -x+1, -y+2, -z; (vii) -x, -y+1, -z; (viii) x-1, y, z; (ix) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Table 3
Hydrogen-bond geometry (Å, °) for Sr(ClO₄)₂·4H₂O

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O9—H9A⋯O8ⁱ	0.84 (1)	2.15 (2)	2.966 (3)	164 (4)
O9—H9B⋯O8ⁱⁱ	0.84 (1)	2.18 (2)	2.986 (3)	161 (5)
O10—H10B⋯O4ⁱⁱⁱ	0.84 (1)	2.04 (2)	2.858 (3)	165 (6)
O10—H10A⋯O4^iv	0.84 (1)	2.17 (2)	2.967 (3)	157 (5)
O11—H11B⋯O9^v	0.84 (1)	1.99 (2)	2.809 (3)	164 (4)
O11—H11A⋯O8	0.84 (1)	2.38 (3)	3.093 (3)	143 (5)
O12—H12A⋯O7^vi	0.84 (1)	2.23 (2)	2.986 (3)	150 (4)
O12—H12A⋯O10^vii	0.84 (1)	2.31 (4)	2.820 (3)	120 (3)
O12—H12B⋯O4	0.84 (1)	2.06 (2)	2.875 (3)	164 (5)
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y+1, -z+2; (iii) x, y-1, z; (iv) -x+2, -y+2, -z+1; (v) -x+1, -y+2, -z+2; (vi) x, y+1, z; (vii) -x+1, -y+2, -z+1.

Figure 4
Perchlorate tetrahedra in the structure of Sr(ClO₄)₂·3H₂O linking the chains (oriented parallel to [100]) into (100) layers.

Figure 5
Zigzag chains parallel to [100] in the structure of Sr(ClO₄)₂·3H₂O, linked by perchlorate tetrahedra into (100) layers, as viewed along [001].

Figure 6
Formation of dimers in the structure of Sr(ClO₄)₂·4H₂O by sharing two water molecules. [Symmetry code: (i) 1 − x, 2 − y, 1 − z.]

Figure 7
Formation of layers in the structure of Sr(ClO₄)₂·4H₂O, viewed along [100].

Figure 8
(a) Coordination of the lattice water molecules in the structure of Sr(ClO₄)₂·9H₂O by hydrogen bonds. (b) A larger section of the structure in the viewing direction [010]. Dashed lines indicate hydrogen bonds.

4. Database survey

For crystal structures of other M(ClO₄)₂·3H₂O phases, see: Gallucci & Gerkin (1988 ; M = Ba); Hennings et al. (2014a ; Sn). For crystal structures of other M(ClO₄)₂·4H₂O phases, see: Robertson & Bish (2010; Mg); Hennings et al. (2014b ; Ca); Solovyov (2012; Mg); Johansson et al. (1966; Hg).

5. Synthesis and crystallization

Crystals of Sr(ClO₄)₂·3H₂O were used as purchased (ABCR, 98%). The isolated crystals were stored in a freezer separated and embedded in perfluorinated ether to avoid contact with humidity. Sr(ClO₄)₂·4H₂O crystallized from an aqueous solution of 75.08 wt% Sr(ClO₄)₂ at 273 K after two days and Sr(ClO₄)₂·9H₂O from an aqueous solution of 60.12 wt% Sr(ClO₄)₂ at 238 K after one week. For preparing these aqueous solutions, strontium perchlorate trihydrate was used. The Sr²⁺ content was analyzed per complexometric titration with EDTA. The crystals are stable in the saturated aqueous solutions over a range of at least four weeks. The samples were stored in a freezer or a cryostat at low temperatures and were separated and embedded in perfluorinated ether for X-ray analysis.

6. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 4. The H atoms of each structure were placed in the positions indicated by difference Fourier maps. For Sr(ClO₄)₂·3H₂O and Sr(ClO₄)₂·4H₂O distance restraints were applied for all water molecules, with O—H and H—H distance restraints of 0.84 (1) and 1.4 (1) Å, respectively. For Sr(ClO₄)₂·9H₂O U_iso values were set at 1.2U_eq(O) using a riding model approximation. Distance restraints were applied for that structure for all water molecules, with O—H and H—H distance restraints of 0.84 (1) and 1.4 (1) Å, respectively.

Table 4
Experimental details

	Sr(ClO₄)₂·3H₂O	Sr(ClO₄)₂·4H₂O	Sr(ClO₄)₂·9H₂O
Crystal data
M_r	340.57	358.58	448.66
Crystal system, space group	Monoclinic, P2₁/n	Triclinic, P $[\overline{1}]$	Orthorhombic, Cmcm
Temperature (K)	100	150	100
a, b, c (Å)	8.9787 (6), 13.4870 (12), 14.7875 (10)	7.1571 (6), 7.3942 (6), 10.0231 (9)	18.7808 (15), 6.860 (3), 11.1884 (16)
α, β, γ (°)	90, 95.448 (5), 90	86.674 (7), 86.291 (7), 72.027 (6)	90, 90, 90
V (Å³)	1782.6 (2)	503.09 (8)	1441.5 (7)
Z	8	2	4
Radiation type	Mo Kα	Mo Kα	Mo Kα
μ (mm⁻¹)	6.70	5.94	4.20
Crystal size (mm)	0.45 × 0.34 × 0.23	0.33 × 0.25 × 0.16	0.20 × 0.11 × 0.05

Data collection
Diffractometer	Stoe IPDS 2T	Stoe IPDS 2T	Stoe IPDS 2T
Absorption correction	Integration (Coppens, 1970 )	Integration (Coppens, 1970)	Integration (Coppens, 1970)
T_min, T_max	0.081, 0.212	0.187, 0.383	0.015, 0.085
No. of measured, independent and observed [I > 2σ(I)] reflections	50555, 4941, 3337	10691, 2818, 2650	6877, 1087, 993
R_int	0.125	0.065	0.020
(sin θ/λ)_max (Å⁻¹)	0.650	0.695	0.693

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.024, 0.046, 1.09	0.028, 0.076, 1.10	0.048, 0.134, 1.16
No. of reflections	4087	2795	1087
No. of parameters	297	169	70
No. of restraints	15	12	6
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement	All H-atom parameters refined	Only H-atom coordinates refined
Δρ_max, Δρ_min (e Å⁻³)	0.56, −0.63	0.83, −1.15	1.27, −2.26
Computer programs: X-AREA and X-RED (Stoe & Cie, 2009 ), SHELXS97 and SHELXL2012 (Sheldrick, 2008 ), DIAMOND (Brandenburg, 2006 ) and publCIF (Westrip, 2010 ).

Supporting information

CCDC references: 1033590; 1033589; 1033588

Crystal structure: contains datablocks SrClO4_3H2O_100K, SrClO4_4H2O_150K, SrClO4_9H2O_100K. DOI: 10.1107/S1600536814024726/wm5080sup1.cif

Structure factors: contains datablock SrClO4_3H2O_100K. DOI: 10.1107/S1600536814024726/wm5080SrClO4_3H2O_100Ksup2.hkl

Structure factors: contains datablock SrClO4_4H2O_150K. DOI: 10.1107/S1600536814024726/wm5080SrClO4_4H2O_150Ksup3.hkl

Structure factors: contains datablock SrClO4_9H2O_100K. DOI: 10.1107/S1600536814024726/wm5080SrClO4_9H2O_100Ksup4.hkl

Supporting information file. DOI: 10.1107/S1600536814024726/wm5080SrClO4_3H2O_100Ksup5.cml

Supporting information file. DOI: 10.1107/S1600536814024726/wm5080SrClO4_4H2O_150Ksup6.cml

Supporting information file. DOI: 10.1107/S1600536814024726/wm5080SrClO4_9H2O_100Ksup7.cml

checkCIF report

Chemical context top

The amount of research into perchlorates has increased considerably in the last few years, beginning with the Phoenix Mars mission (Kim et al., 2013; Kerr, 2013; Chevrier et al., 2009; Quinn et al., 2013; Davila et al., 2013; Gough et al., 2011; Navarro-González & McKay, 2011; Robertson & Bish, 2011; Schuttlefield et al., 2011; Navarro-González et al., 2010; Marion et al., 2010; Hecht et al., 2009). Important perchlorate salts in the martian regolith are Mg and Ca perchlorates. It seemed worthwhile to complete the chemical systematics in this series of alkaline-earth perchlorates. The solubility diagram of strontium perchlorate has been investigated by several authors (Pestova et al., 2005; Lilich & Djurinskii, 1956; Nicholson & Felsing, 1950; Willard & Smith, 1923) in different temperature and concentration regions. They reported the tetrahydrate and the hexahydrate to be stable phases. While re-investigating the phase diagram, we found at higher temperatures the trihydrate, the tetrahydrate at room temperature and the nonahydrate near the eutectic temperature. The existence of the hexahydrate could not be confirmed.

Structural commentary top

The crystal structure of strontium perchlorate trihydrate contains two crystallographically distinct Sr²⁺cations. Both are coordinated by five water molecules and four monodentately bonding perchlorate tetrahedra (Fig. 1). Four of the five water molecules (O1, O6 and O3, O4) share edges between two Sr²⁺ cations, resulting in chains with alternating Sr1 and Sr2 cations. The chains extend parallel to [100] (Fig. 2). The crystal structure of strontium perchlorate tetrahydrate is similar to the trihydrate, but different to the magnesium analogue (Robertson et al., 2010; Solovyov, 2012) or mercury perchlorate tetrahydrate (Johansson et al., 1966). Two symmetry-related Sr²⁺ cations, both coordinated by five water molecules and four monodentate perchlorate tetrahedra, form dimers by sharing two water molecules. In strontium perchlorate nonahydrate, the Sr²⁺ cation occupies a single crystallographic site with site symmetry m2m. It is coordinated by seven water molecules and two monodentate perchlorate tetrahedra (point group symmetry ..m; Fig. 3a) within a tricapped trigonal-prismatic oxygen coordination environment (Fig. 3b). Thereby, the trigonal base planes are chosen such that each oxygen atom of the perchlorate anions represents a capping atom. The third cap is provided by a water oxygen atom.

Supramolecular features top

In strontium perchlorate trihydrate, chains are formed with alternating Sr²⁺ cations (Fig. 2). These zigzag chains are oriented parallel to [100] and are linked by edge-sharing with the perchlorate tetrahedra (Fig. 4) into a layered arrangement parallel to (001), as shown in Fig. 5. Within the structure of the tetrahydrate, each perchlorate anion coordinates to the dimeric unit of two Sr²⁺ cations (Fig. 6). At the same time, it also coordinates to another dimeric unit. Thus, each dimeric unit is connected pairwise by perchlorate anions with four others. This yields in (001) layers stacked along [001], as visualized in Fig. 7. The nonahydrate structure contains additional lattice water molecules, which are both donor and acceptor groups, resulting in a tetrahedral arrangement of O—H···O hydrogen bonds. Two hydrogen bonds are formed towards the [SrO₂(OH₂)₇] coordination polyhedra and two towards perchlorate tetrahedra (Fig. 8a, Table 1). The [SrO₂(OH₂)₇] polyhedra additionally are linked via other O—H···O hydrogen bonds. These resulting arrangement can be seen in a larger section of the structure (Fig. 8b). O—H···O hydrogen bonds also dominate the crystal packing in the two other structures, in each case leading to the formation of a three-dimensional network (Tables 2 and 3).

Database survey top

For crystal structures of other M(ClO₄)₂·3H₂O phases, see: Gallucci & Gerkin (1988; M = Ba); Hennings et al. (2014a; Sn). For crystal structures of other M(ClO₄)₂·4H₂O phases, see: Robertson & Bish (2010; Mg); Hennings et al. (2014b; Ca); Solovyov (2012; Mg); Johansson (1966; Hg).

Synthesis and crystallization top

Refinement top

Crystal data, data collection and structure refinement details are summarized in Table 4. The H atoms of each structure were placed in the positions indicated by difference Fourier maps. For Sr(ClO₄)₂·3 H₂O and Sr(ClO₄)₂·4H₂O distance restraints were applied for all water molecules, with O—H and H—H distance restraints of 0.84 (1) and 1.4 (1) Å, respectively. For Sr(ClO₄)₂·9H₂O U_iso values were set at 1.2U_eq(O) using a riding model approximation. Distance restraints were applied for that structure for all water molecules, with O—H and H—H distance restraints of 0.84 (1) and 1.4 (1) Å, respectively.

Related literature top

For related literature, see: Chevrier et al. (2009); Davila et al. (2013); Gallucci & Gerkin (1988); Gough et al. (2011); Hecht et al. (2009); Hennings et al. (2014a, 2014b); Johansson (1966); Kerr (2013); Kim et al. (2013); Lilich & Djurinskii (1956); Marion et al. (2010); Navarro-González & McKay (2011); Navarro-González, Vargas, de la Rosa, Raga & McKay (2010); Nicholson & Felsing (1950); Pestova et al. (2005); Quinn et al. (2013); Robertson & Bish (2010, 2011); Schuttlefield et al. (2011); Solovyov (2012); Willard & Smith (1923).

Computing details top

For all compounds, data collection: X-AREA (Stoe & Cie, 2009); cell refinement: X-AREA (Stoe & Cie, 2009); data reduction: X-RED (Stoe & Cie, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

Coordination around the Sr1²⁺ cation in Sr(ClO₄)₂·3H₂O. Atoms O3 and O4 as well as O6 and O1 are shared between two different Sr²⁺ cations. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) 1/2 - x, -1/2 + y, 1/2 - z; (ii) -1/2 + x, 3/2 - y, 1/2 + z.]

Formation of chains parallel [100] by sharing water molecules in the structure of Sr(ClO4)₂·3H₂O.

(a) Coordination around the Sr²⁺ cation and (b) the resulting coordination polyhedra in the structure of Sr(ClO₄)₂·9H₂O. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, y, 3/2 - z; (ii) 2 - x, y, z; (iii) 2 - x, y, 3/2 - z.]

Perchlorate tetrahedra in the structure of Sr(ClO₄)₂·3H₂O linking the chains (oriented parallel to [100]) into (100) layers.

Zigzag chains parallel to [100] in the structure of Sr(ClO₄)₂·3H₂O, linked by perchlorate tetrahedra into (100) layers, as viewed along [001].

Formation of dimers in the structure of Sr(ClO₄)₂·4H₂O by sharing two water molecules. [Symmetry code: (i) 1 - x, 2 - y, 1 - z.]

Formation of layers in the structure of Sr(ClO₄)₂·4H₂O, viewed along [100].

(a) Coordination of the lattice water molecules in the structure of Sr(ClO4)₂·9H₂O by hydrogen bonds. (b) A larger section of the structure in the viewing direction [001] . Dashed lines indicate hydrogen bonds.

(SrClO4_3H2O_100K) Di-µ-aqua-aquadi-µ-perchlorato-strontium top

Crystal data top

[Sr(ClO₄)₂(H₂O)₃]	F(000) = 1328
M_r = 340.57	D_x = 2.538 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
a = 8.9787 (6) Å	Cell parameters from 32895 reflections
b = 13.4870 (12) Å	θ = 2.3–29.7°
c = 14.7875 (10) Å	µ = 6.70 mm⁻¹
β = 95.448 (5)°	T = 100 K
V = 1782.6 (2) Å³	Plate, colourless
Z = 8	0.45 × 0.34 × 0.23 mm

Data collection top

Stoe IPDS 2T diffractometer	4941 independent reflections
Radiation source: fine-focus sealed tube	3337 reflections with I > 2σ(I)
Detector resolution: 6.67 pixels mm^-1	R_int = 0.125
rotation method scans	θ_max = 27.5°, θ_min = 2.7°
Absorption correction: integration (Coppens, 1970)	h = −12→12
T_min = 0.081, T_max = 0.212	k = −18→18
50555 measured reflections	l = −20→20

Refinement top

Refinement on F²	15 restraints
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F² > 2σ(F²)] = 0.024	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.046	w = 1/[σ²(F_o²) + (0.015P)²] where P = (F_o² + 2F_c²)/3
S = 1.09	(Δ/σ)_max = 0.001
4087 reflections	Δρ_max = 0.56 e Å⁻³
297 parameters	Δρ_min = −0.63 e Å⁻³

Crystal data top

[Sr(ClO₄)₂(H₂O)₃]	V = 1782.6 (2) Å³
M_r = 340.57	Z = 8
Monoclinic, P2₁/n	Mo Kα radiation
a = 8.9787 (6) Å	µ = 6.70 mm⁻¹
b = 13.4870 (12) Å	T = 100 K
c = 14.7875 (10) Å	0.45 × 0.34 × 0.23 mm
β = 95.448 (5)°

Data collection top

Stoe IPDS 2T diffractometer	4941 independent reflections
Absorption correction: integration (Coppens, 1970)	3337 reflections with I > 2σ(I)
T_min = 0.081, T_max = 0.212	R_int = 0.125
50555 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.024	15 restraints
wR(F²) = 0.046	H atoms treated by a mixture of independent and constrained refinement
S = 1.09	Δρ_max = 0.56 e Å⁻³
4087 reflections	Δρ_min = −0.63 e Å⁻³
297 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.

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

	x	y	z	U_iso*/U_eq
Sr1	0.17700 (4)	0.73963 (3)	0.16063 (2)	0.00938 (8)
Sr2	0.67377 (4)	0.76115 (3)	0.16252 (2)	0.00958 (8)
Cl3	0.76166 (10)	0.55363 (6)	0.34594 (6)	0.01186 (17)
Cl4	0.20327 (9)	0.63169 (6)	−0.08358 (6)	0.01123 (17)
O2	0.5554 (3)	0.6148 (2)	0.07663 (19)	0.0157 (6)
H2B	0.584 (5)	0.5569 (14)	0.089 (3)	0.022 (12)*
H2A	0.503 (7)	0.618 (5)	0.027 (3)	0.09 (3)*
O5	0.1514 (3)	0.6834 (2)	0.33230 (18)	0.0173 (6)
O7	0.0494 (3)	0.8819 (2)	0.07657 (19)	0.0169 (6)
H7A	0.040 (8)	0.939 (2)	0.098 (4)	0.09 (3)*
H7B	0.054 (6)	0.891 (4)	0.0208 (11)	0.049 (17)*
O11	0.1497 (3)	0.6863 (2)	−0.16432 (18)	0.0159 (6)
O8	0.2947 (3)	0.8877 (2)	0.26593 (18)	0.0142 (6)
O3	0.4421 (3)	0.6926 (2)	0.23812 (18)	0.0122 (5)
H3A	0.427 (5)	0.6316 (10)	0.232 (3)	0.015*
H3B	0.446 (5)	0.704 (3)	0.2940 (9)	0.015*
O6	−0.0905 (3)	0.6659 (2)	0.0871 (2)	0.0126 (5)
H6A	−0.074 (8)	0.606 (5)	0.096 (4)	0.07 (2)*
H6B	−0.102 (7)	0.682 (4)	0.026 (4)	0.057 (18)*
O1	0.9396 (3)	0.7980 (2)	0.24536 (19)	0.0155 (6)
H1A	0.954 (5)	0.767 (3)	0.2947 (15)	0.019*
H1B	0.958 (5)	0.8588 (10)	0.248 (3)	0.019*
O4	0.4076 (3)	0.8486 (2)	0.09960 (19)	0.0142 (6)
H4B	0.401 (7)	0.852 (4)	0.0427 (8)	0.055 (19)*
H4A	0.385 (5)	0.9070 (13)	0.112 (3)	0.017 (11)*
O9	0.2141 (3)	0.7003 (2)	−0.00724 (17)	0.0166 (6)
O12	0.7632 (4)	0.6041 (2)	0.25968 (19)	0.0223 (7)
O10	0.6522 (3)	0.8049 (2)	−0.00904 (17)	0.0165 (5)
O13	0.7794 (4)	0.4491 (2)	0.3295 (2)	0.0282 (7)
Cl1	0.22615 (10)	0.95938 (6)	0.32252 (5)	0.01093 (16)
Cl2	0.73566 (10)	0.83941 (6)	−0.08210 (6)	0.01110 (17)
O17	0.8781 (3)	0.78723 (18)	−0.07714 (16)	0.0148 (5)
O15	0.2081 (3)	0.91715 (19)	0.40937 (17)	0.0193 (6)
O16	0.3517 (3)	0.59257 (18)	−0.09445 (17)	0.0163 (5)
O14	0.3185 (3)	1.0469 (2)	0.33193 (18)	0.0164 (6)
O18	0.0800 (3)	0.98662 (17)	0.27720 (17)	0.0160 (5)
O20	0.6198 (3)	0.56974 (19)	0.38222 (17)	0.0171 (5)
O19	0.1020 (3)	0.55287 (19)	−0.06828 (18)	0.0209 (6)
O22	0.7597 (3)	0.94455 (18)	−0.07510 (19)	0.0230 (6)
O21	0.8810 (3)	0.5889 (3)	0.4073 (2)	0.0371 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.00941 (16)	0.01189 (17)	0.00731 (16)	0.00047 (14)	0.00327 (12)	0.00006 (14)
Sr2	0.00977 (16)	0.01221 (17)	0.00729 (16)	−0.00071 (14)	0.00355 (12)	0.00017 (14)
Cl3	0.0138 (4)	0.0126 (4)	0.0097 (4)	−0.0003 (3)	0.0036 (3)	0.0002 (3)
Cl4	0.0124 (4)	0.0140 (4)	0.0079 (3)	0.0004 (3)	0.0043 (3)	−0.0001 (3)
O2	0.0220 (15)	0.0140 (14)	0.0112 (15)	−0.0028 (12)	0.0031 (12)	−0.0009 (12)
O5	0.0159 (14)	0.0286 (17)	0.0078 (14)	−0.0028 (12)	0.0024 (11)	0.0044 (12)
O7	0.0231 (15)	0.0150 (14)	0.0125 (15)	0.0029 (12)	0.0016 (12)	−0.0007 (12)
O11	0.0184 (15)	0.0220 (16)	0.0077 (13)	0.0056 (12)	0.0040 (11)	0.0054 (11)
O8	0.0170 (13)	0.0140 (13)	0.0125 (13)	0.0020 (10)	0.0056 (10)	−0.0052 (10)
O3	0.0140 (13)	0.0154 (13)	0.0077 (13)	0.0002 (11)	0.0032 (10)	−0.0005 (11)
O6	0.0143 (13)	0.0126 (12)	0.0112 (14)	−0.0004 (10)	0.0030 (10)	0.0003 (11)
O1	0.0141 (14)	0.0190 (13)	0.0135 (14)	0.0015 (11)	0.0012 (11)	−0.0027 (11)
O4	0.0180 (14)	0.0163 (14)	0.0094 (13)	0.0024 (11)	0.0069 (10)	0.0014 (10)
O9	0.0213 (14)	0.0182 (12)	0.0110 (12)	−0.0017 (11)	0.0057 (11)	−0.0055 (10)
O12	0.0307 (16)	0.0240 (16)	0.0140 (14)	0.0088 (13)	0.0119 (12)	0.0093 (12)
O10	0.0161 (13)	0.0255 (13)	0.0094 (12)	0.0004 (11)	0.0094 (10)	0.0040 (10)
O13	0.0450 (19)	0.0104 (14)	0.0319 (17)	0.0083 (12)	0.0183 (14)	0.0030 (12)
Cl1	0.0134 (4)	0.0117 (4)	0.0082 (3)	−0.0002 (3)	0.0036 (3)	−0.0006 (3)
Cl2	0.0129 (4)	0.0142 (4)	0.0068 (4)	−0.0004 (3)	0.0042 (3)	0.0000 (3)
O17	0.0122 (11)	0.0201 (13)	0.0128 (12)	0.0017 (9)	0.0045 (9)	0.0016 (9)
O15	0.0282 (16)	0.0224 (13)	0.0090 (12)	0.0012 (11)	0.0101 (11)	0.0059 (10)
O16	0.0133 (13)	0.0214 (13)	0.0150 (13)	0.0061 (10)	0.0055 (10)	0.0007 (10)
O14	0.0192 (13)	0.0108 (12)	0.0195 (13)	−0.0051 (11)	0.0021 (10)	−0.0023 (11)
O18	0.0139 (12)	0.0146 (12)	0.0191 (13)	0.0032 (9)	0.0003 (10)	−0.0003 (10)
O20	0.0124 (12)	0.0249 (13)	0.0156 (13)	0.0010 (11)	0.0085 (10)	0.0009 (10)
O19	0.0212 (14)	0.0172 (13)	0.0255 (14)	−0.0074 (11)	0.0089 (11)	0.0013 (11)
O22	0.0280 (15)	0.0118 (12)	0.0294 (15)	−0.0044 (11)	0.0041 (12)	0.0002 (11)
O21	0.0178 (15)	0.077 (2)	0.0173 (15)	−0.0198 (15)	0.0059 (12)	−0.0202 (15)

Geometric parameters (Å, º) top

Sr1—O7	2.504 (3)	Sr2—O6^v	2.797 (3)
Sr1—O9	2.591 (3)	Cl3—O21	1.419 (3)
Sr1—O14ⁱ	2.602 (3)	Cl3—O13	1.442 (3)
Sr1—O3	2.619 (3)	Cl3—O20	1.445 (2)
Sr1—O5	2.680 (3)	Cl3—O12	1.447 (3)
Sr1—O8	2.686 (3)	Cl4—O19	1.430 (3)
Sr1—O1ⁱⁱ	2.691 (3)	Cl4—O11	1.446 (3)
Sr1—O6	2.729 (3)	Cl4—O9	1.456 (3)
Sr1—O4	2.760 (3)	Cl4—O16	1.456 (3)
Sr2—O2	2.527 (3)	Cl1—O15	1.428 (2)
Sr2—O13ⁱⁱⁱ	2.571 (3)	Cl1—O14	1.441 (3)
Sr2—O10	2.594 (2)	Cl1—O18	1.463 (3)
Sr2—O3	2.622 (3)	O8—Cl1	1.453 (3)
Sr2—O1	2.625 (3)	Cl2—O22	1.437 (3)
Sr2—O12	2.641 (3)	Cl2—O5^vi	1.445 (3)
Sr2—O11^iv	2.685 (3)	Cl2—O17	1.456 (3)
Sr2—O4	2.747 (3)	O10—Cl2	1.449 (2)

O7—Sr1—O9	77.04 (9)	O3—Sr2—O11^iv	63.08 (8)
O7—Sr1—O14ⁱ	142.31 (9)	O1—Sr2—O11^iv	69.95 (9)
O9—Sr1—O14ⁱ	80.39 (9)	O12—Sr2—O11^iv	74.97 (9)
O7—Sr1—O3	139.15 (9)	O2—Sr2—O4	81.63 (9)
O9—Sr1—O3	100.11 (9)	O13ⁱⁱⁱ—Sr2—O4	74.05 (9)
O14ⁱ—Sr1—O3	74.33 (9)	O10—Sr2—O4	65.74 (8)
O7—Sr1—O5	127.65 (10)	O3—Sr2—O4	66.16 (8)
O9—Sr1—O5	151.64 (9)	O1—Sr2—O4	143.12 (9)
O14ⁱ—Sr1—O5	71.31 (9)	O12—Sr2—O4	137.59 (9)
O3—Sr1—O5	70.93 (8)	O11^iv—Sr2—O4	93.63 (9)
O7—Sr1—O8	81.62 (9)	O2—Sr2—O6^v	74.85 (9)
O9—Sr1—O8	128.93 (8)	O13ⁱⁱⁱ—Sr2—O6^v	110.16 (10)
O14ⁱ—Sr1—O8	135.59 (9)	O10—Sr2—O6^v	72.76 (9)
O3—Sr1—O8	68.60 (8)	O3—Sr2—O6^v	132.01 (9)
O5—Sr1—O8	74.09 (9)	O1—Sr2—O6^v	65.43 (8)
O7—Sr1—O1ⁱⁱ	70.21 (9)	O12—Sr2—O6^v	69.26 (9)
O9—Sr1—O1ⁱⁱ	133.29 (9)	O11^iv—Sr2—O6^v	129.34 (9)
O14ⁱ—Sr1—O1ⁱⁱ	106.42 (9)	O4—Sr2—O6^v	136.82 (8)
O3—Sr1—O1ⁱⁱ	126.45 (8)	O21—Cl3—O13	110.3 (2)
O5—Sr1—O1ⁱⁱ	59.93 (9)	O21—Cl3—O20	110.54 (17)
O8—Sr1—O1ⁱⁱ	78.34 (8)	O13—Cl3—O20	108.95 (17)
O7—Sr1—O6	74.80 (10)	O21—Cl3—O12	109.65 (19)
O9—Sr1—O6	74.45 (8)	O13—Cl3—O12	107.51 (18)
O14ⁱ—Sr1—O6	70.26 (9)	O20—Cl3—O12	109.82 (17)
O3—Sr1—O6	144.59 (9)	O19—Cl4—O11	110.03 (17)
O5—Sr1—O6	97.05 (9)	O19—Cl4—O9	110.27 (16)
O8—Sr1—O6	141.72 (8)	O11—Cl4—O9	107.98 (16)
O1ⁱⁱ—Sr1—O6	65.54 (9)	O19—Cl4—O16	110.49 (16)
O7—Sr1—O4	75.61 (9)	O11—Cl4—O16	109.26 (16)
O9—Sr1—O4	68.10 (8)	O9—Cl4—O16	108.76 (16)
O14ⁱ—Sr1—O4	122.46 (9)	Cl2^vii—O5—Sr1	143.63 (17)
O3—Sr1—O4	66.00 (8)	Cl4—O11—Sr2^viii	150.58 (17)
O5—Sr1—O4	126.51 (9)	Cl1—O8—Sr1	131.56 (15)
O8—Sr1—O4	61.80 (8)	Sr1—O3—Sr2	116.94 (10)
O1ⁱⁱ—Sr1—O4	130.41 (9)	Sr1—O6—Sr2ⁱⁱ	110.15 (10)
O6—Sr1—O4	136.33 (8)	Sr2—O1—Sr1^v	116.91 (10)
O2—Sr2—O13ⁱⁱⁱ	148.51 (10)	Sr2—O4—Sr1	108.42 (9)
O2—Sr2—O10	72.37 (9)	Cl4—O9—Sr1	150.23 (16)
O13ⁱⁱⁱ—Sr2—O10	79.47 (9)	Cl3—O12—Sr2	145.98 (17)
O2—Sr2—O3	68.04 (9)	Cl2—O10—Sr2	143.74 (16)
O13ⁱⁱⁱ—Sr2—O3	117.46 (9)	Cl3—O13—Sr2^ix	167.61 (19)
O10—Sr2—O3	120.57 (8)	O15—Cl1—O14	110.68 (16)
O2—Sr2—O1	134.68 (9)	O15—Cl1—O8	110.06 (16)
O13ⁱⁱⁱ—Sr2—O1	69.76 (10)	O14—Cl1—O8	109.22 (16)
O10—Sr2—O1	113.18 (9)	O15—Cl1—O18	109.78 (16)
O3—Sr2—O1	126.23 (8)	O14—Cl1—O18	108.74 (16)
O2—Sr2—O12	74.83 (10)	O8—Cl1—O18	108.31 (15)
O13ⁱⁱⁱ—Sr2—O12	136.56 (10)	O22—Cl2—O5^vi	109.62 (18)
O10—Sr2—O12	134.83 (9)	O22—Cl2—O10	110.39 (17)
O3—Sr2—O12	72.42 (9)	O5^vi—Cl2—O10	108.66 (16)
O1—Sr2—O12	71.48 (10)	O22—Cl2—O17	110.36 (16)
O2—Sr2—O11^iv	128.12 (9)	O5^vi—Cl2—O17	109.02 (16)
O13ⁱⁱⁱ—Sr2—O11^iv	73.98 (9)	O10—Cl2—O17	108.75 (15)
O10—Sr2—O11^iv	150.15 (9)	Cl1—O14—Sr1^x	145.97 (17)

Symmetry codes: (i) −x+1/2, y−1/2, −z+1/2; (ii) x−1, y, z; (iii) −x+3/2, y+1/2, −z+1/2; (iv) x+1/2, −y+3/2, z+1/2; (v) x+1, y, z; (vi) x+1/2, −y+3/2, z−1/2; (vii) x−1/2, −y+3/2, z+1/2; (viii) x−1/2, −y+3/2, z−1/2; (ix) −x+3/2, y−1/2, −z+1/2; (x) −x+1/2, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O5^v	0.84 (1)	2.13 (4)	2.683 (4)	123 (4)
O1—H1B···O18^v	0.84 (1)	2.07 (2)	2.858 (4)	158 (4)
O2—H2B···O16^xi	0.84 (1)	2.10 (1)	2.923 (4)	169 (4)
O2—H2A···O16	0.84 (1)	2.17 (2)	2.992 (4)	167 (7)
O3—H3A···O18ⁱ	0.84 (1)	1.96 (1)	2.793 (4)	172 (4)
O3—H3B···O17^vii	0.84 (1)	2.06 (2)	2.857 (4)	159 (4)
O4—H4B···O21^viii	0.84 (1)	2.15 (2)	2.953 (4)	161 (5)
O4—H4A···O22^xii	0.84 (1)	2.42 (2)	3.173 (4)	150 (4)
O6—H6A···O14ⁱ	0.84 (7)	2.56 (7)	3.069 (4)	121 (5)
O6—H6A···O19^xiii	0.84 (7)	2.19 (7)	2.964 (4)	155 (6)
O6—H6B···O17ⁱⁱ	0.92 (6)	2.09 (6)	2.920 (4)	150 (5)
O7—H7A···O20^x	0.84 (1)	2.31 (4)	3.044 (4)	146 (7)
O7—H7A···O22^xii	0.84 (1)	2.44 (7)	2.902 (4)	116 (6)
O7—H7B···O17ⁱⁱ	0.84 (1)	2.48 (5)	2.916 (4)	114 (4)
O7—H7B···O20^viii	0.84 (1)	2.25 (2)	3.071 (4)	167 (5)

Symmetry codes: (i) −x+1/2, y−1/2, −z+1/2; (ii) x−1, y, z; (v) x+1, y, z; (vii) x−1/2, −y+3/2, z+1/2; (viii) x−1/2, −y+3/2, z−1/2; (x) −x+1/2, y+1/2, −z+1/2; (xi) −x+1, −y+1, −z; (xii) −x+1, −y+2, −z; (xiii) −x, −y+1, −z.

(SrClO4_4H2O_150K) Di-µ-aqua-bis(triaquadiperchloratostrontium) top

Crystal data top

[Sr(ClO₄)₂(H₂O)₄]	Z = 2
M_r = 358.58	F(000) = 352
Triclinic, P1	D_x = 2.367 Mg m⁻³
a = 7.1571 (6) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.3942 (6) Å	Cell parameters from 16929 reflections
c = 10.0231 (9) Å	θ = 2.1–29.6°
α = 86.674 (7)°	µ = 5.94 mm⁻¹
β = 86.291 (7)°	T = 150 K
γ = 72.027 (6)°	Prism, colourless
V = 503.09 (8) Å³	0.33 × 0.25 × 0.16 mm

Data collection top

Stoe IPDS 2T diffractometer	2818 independent reflections
Radiation source: fine-focus sealed tube	2650 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.065
Detector resolution: 6.67 pixels mm^-1	θ_max = 29.6°, θ_min = 2.9°
rotation method scans	h = −9→9
Absorption correction: integration (Coppens, 1970)	k = −10→10
T_min = 0.187, T_max = 0.383	l = −13→13
10691 measured reflections

Refinement top

Refinement on F²	Hydrogen site location: difference Fourier map
Least-squares matrix: full	All H-atom parameters refined
R[F² > 2σ(F²)] = 0.028	w = 1/[σ²(F_o²) + (0.0332P)² + 1.7614P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.076	(Δ/σ)_max = 0.001
S = 1.10	Δρ_max = 0.83 e Å⁻³
2795 reflections	Δρ_min = −1.15 e Å⁻³
169 parameters	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
12 restraints	Extinction coefficient: 0.034 (2)

Crystal data top

[Sr(ClO₄)₂(H₂O)₄]	γ = 72.027 (6)°
M_r = 358.58	V = 503.09 (8) Å³
Triclinic, P1	Z = 2
a = 7.1571 (6) Å	Mo Kα radiation
b = 7.3942 (6) Å	µ = 5.94 mm⁻¹
c = 10.0231 (9) Å	T = 150 K
α = 86.674 (7)°	0.33 × 0.25 × 0.16 mm
β = 86.291 (7)°

Data collection top

Stoe IPDS 2T diffractometer	2818 independent reflections
Absorption correction: integration (Coppens, 1970)	2650 reflections with I > 2σ(I)
T_min = 0.187, T_max = 0.383	R_int = 0.065
10691 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.028	12 restraints
wR(F²) = 0.076	All H-atom parameters refined
S = 1.10	Δρ_max = 0.83 e Å⁻³
2795 reflections	Δρ_min = −1.15 e Å⁻³
169 parameters

Special details top

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

	x	y	z	U_iso*/U_eq
Sr1	0.53930 (4)	0.92911 (3)	0.72424 (2)	0.01180 (9)
Cl1	0.97143 (9)	1.15488 (9)	0.70369 (6)	0.01360 (14)
Cl2	0.35731 (9)	0.48563 (9)	0.78026 (6)	0.01327 (14)
O11	0.3252 (4)	0.9281 (3)	0.9363 (2)	0.0214 (4)
O9	0.7828 (3)	0.7469 (3)	0.9095 (2)	0.0179 (4)
O12	0.5409 (3)	1.1774 (3)	0.5157 (2)	0.0153 (4)
O10	0.8215 (3)	0.6788 (3)	0.6077 (2)	0.0184 (4)
O4	0.8716 (3)	1.2814 (3)	0.5953 (2)	0.0196 (4)
O8	0.2149 (3)	0.5654 (3)	0.8872 (2)	0.0225 (5)
O6	0.4501 (3)	0.2861 (3)	0.8128 (2)	0.0194 (4)
O5	0.5058 (3)	0.5815 (3)	0.7694 (2)	0.0218 (5)
O2	1.1720 (3)	1.0650 (3)	0.6579 (2)	0.0223 (5)
O3	0.8764 (4)	1.0108 (3)	0.7327 (3)	0.0264 (5)
O1	0.9628 (4)	1.2609 (4)	0.8192 (3)	0.0306 (6)
O7	0.2630 (4)	0.5075 (4)	0.6555 (2)	0.0254 (5)
H11A	0.287 (7)	0.835 (5)	0.962 (5)	0.044 (15)*
H11B	0.271 (6)	1.025 (4)	0.981 (4)	0.029 (11)*
H12B	0.637 (4)	1.218 (6)	0.524 (5)	0.031 (12)*
H12A	0.437 (4)	1.267 (4)	0.531 (4)	0.025 (11)*
H10A	0.926 (4)	0.690 (8)	0.570 (5)	0.044 (14)*
H10B	0.841 (9)	0.561 (2)	0.619 (6)	0.065 (19)*
H9B	0.757 (8)	0.662 (6)	0.960 (4)	0.048 (15)*
H9A	0.903 (2)	0.707 (6)	0.888 (5)	0.031 (12)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.01137 (13)	0.00999 (13)	0.01328 (13)	−0.00231 (8)	−0.00157 (8)	0.00154 (8)
Cl1	0.0113 (3)	0.0126 (3)	0.0167 (3)	−0.0036 (2)	−0.0019 (2)	0.0024 (2)
Cl2	0.0148 (3)	0.0106 (3)	0.0139 (3)	−0.0037 (2)	0.0001 (2)	0.0009 (2)
O11	0.0271 (11)	0.0163 (10)	0.0184 (10)	−0.0045 (9)	0.0045 (9)	−0.0003 (8)
O9	0.0161 (10)	0.0197 (10)	0.0172 (10)	−0.0057 (8)	0.0004 (8)	0.0057 (8)
O12	0.0142 (9)	0.0156 (9)	0.0162 (9)	−0.0041 (8)	−0.0031 (7)	−0.0010 (7)
O10	0.0151 (10)	0.0141 (9)	0.0240 (11)	−0.0030 (8)	0.0037 (8)	0.0009 (8)
O4	0.0157 (10)	0.0183 (10)	0.0239 (11)	−0.0050 (8)	−0.0053 (8)	0.0099 (8)
O8	0.0222 (11)	0.0207 (10)	0.0226 (11)	−0.0050 (9)	0.0071 (9)	−0.0028 (8)
O6	0.0271 (11)	0.0103 (9)	0.0198 (10)	−0.0045 (8)	−0.0020 (8)	0.0015 (7)
O5	0.0196 (10)	0.0149 (10)	0.0326 (12)	−0.0088 (8)	0.0040 (9)	−0.0002 (9)
O2	0.0113 (9)	0.0278 (11)	0.0233 (11)	−0.0001 (8)	−0.0012 (8)	0.0032 (9)
O3	0.0218 (11)	0.0207 (11)	0.0400 (14)	−0.0130 (9)	−0.0091 (10)	0.0148 (10)
O1	0.0314 (13)	0.0299 (13)	0.0271 (13)	−0.0009 (10)	−0.0077 (10)	−0.0120 (10)
O7	0.0273 (12)	0.0262 (12)	0.0197 (11)	−0.0024 (9)	−0.0098 (9)	0.0013 (9)

Geometric parameters (Å, º) top

Sr1—O11	2.540 (2)	Cl1—O3	1.438 (2)
Sr1—O10	2.551 (2)	Cl1—O2	1.441 (2)
Sr1—O2ⁱ	2.623 (2)	Cl1—O4	1.461 (2)
Sr1—O9	2.642 (2)	Cl2—O7	1.437 (2)
Sr1—O5	2.665 (2)	Cl2—O5	1.444 (2)
Sr1—O3	2.669 (2)	Cl2—O6	1.446 (2)
Sr1—O12	2.703 (2)	Cl2—O8	1.448 (2)
Sr1—O6ⁱⁱ	2.706 (2)	O12—Sr1ⁱⁱⁱ	2.723 (2)
Sr1—O12ⁱⁱⁱ	2.723 (2)	O6—Sr1^iv	2.706 (2)
Sr1—Sr1ⁱⁱⁱ	4.5867 (6)	O2—Sr1^v	2.623 (2)
Cl1—O1	1.423 (2)

O11—Sr1—O10	134.33 (7)	O9—Sr1—O12ⁱⁱⁱ	132.16 (7)
O11—Sr1—O2ⁱ	72.84 (8)	O5—Sr1—O12ⁱⁱⁱ	74.43 (7)
O10—Sr1—O2ⁱ	128.32 (8)	O3—Sr1—O12ⁱⁱⁱ	116.35 (8)
O11—Sr1—O9	74.35 (7)	O12—Sr1—O12ⁱⁱⁱ	64.57 (7)
O10—Sr1—O9	72.64 (7)	O6ⁱⁱ—Sr1—O12ⁱⁱⁱ	127.67 (7)
O2ⁱ—Sr1—O9	146.33 (7)	O11—Sr1—Sr1ⁱⁱⁱ	138.29 (6)
O11—Sr1—O5	71.31 (7)	O10—Sr1—Sr1ⁱⁱⁱ	75.06 (5)
O10—Sr1—O5	68.57 (7)	O2ⁱ—Sr1—Sr1ⁱⁱⁱ	65.53 (5)
O2ⁱ—Sr1—O5	91.52 (8)	O9—Sr1—Sr1ⁱⁱⁱ	146.06 (5)
O9—Sr1—O5	70.82 (7)	O5—Sr1—Sr1ⁱⁱⁱ	106.51 (5)
O11—Sr1—O3	120.25 (8)	O3—Sr1—Sr1ⁱⁱⁱ	96.03 (6)
O10—Sr1—O3	69.06 (8)	O12—Sr1—Sr1ⁱⁱⁱ	32.42 (4)
O2ⁱ—Sr1—O3	144.07 (7)	O6ⁱⁱ—Sr1—Sr1ⁱⁱⁱ	99.31 (5)
O9—Sr1—O3	62.77 (7)	O12ⁱⁱⁱ—Sr1—Sr1ⁱⁱⁱ	32.15 (4)
O5—Sr1—O3	124.01 (7)	O1—Cl1—O3	110.34 (17)
O11—Sr1—O12	135.63 (7)	O1—Cl1—O2	111.09 (16)
O10—Sr1—O12	89.75 (7)	O3—Cl1—O2	108.88 (15)
O2ⁱ—Sr1—O12	74.61 (7)	O1—Cl1—O4	109.88 (15)
O9—Sr1—O12	137.04 (7)	O3—Cl1—O4	108.60 (14)
O5—Sr1—O12	138.82 (7)	O2—Cl1—O4	107.99 (13)
O3—Sr1—O12	74.40 (7)	O7—Cl2—O5	109.56 (15)
O11—Sr1—O6ⁱⁱ	75.27 (7)	O7—Cl2—O6	110.02 (14)
O10—Sr1—O6ⁱⁱ	140.31 (7)	O5—Cl2—O6	108.81 (14)
O2ⁱ—Sr1—O6ⁱⁱ	80.03 (8)	O7—Cl2—O8	110.49 (15)
O9—Sr1—O6ⁱⁱ	98.83 (7)	O5—Cl2—O8	109.30 (14)
O5—Sr1—O6ⁱⁱ	146.54 (7)	O6—Cl2—O8	108.63 (14)
O3—Sr1—O6ⁱⁱ	72.64 (8)	Sr1—O12—Sr1ⁱⁱⁱ	115.43 (7)
O12—Sr1—O6ⁱⁱ	70.06 (6)	Cl2—O6—Sr1^iv	144.85 (13)
O11—Sr1—O12ⁱⁱⁱ	123.23 (7)	Cl2—O5—Sr1	140.13 (14)
O10—Sr1—O12ⁱⁱⁱ	64.54 (7)	Cl1—O2—Sr1^v	146.10 (14)
O2ⁱ—Sr1—O12ⁱⁱⁱ	64.25 (7)	Cl1—O3—Sr1	144.73 (14)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O9—H9A···O8^v	0.84 (1)	2.15 (2)	2.966 (3)	164 (4)
O9—H9B···O8^vi	0.84 (1)	2.18 (2)	2.986 (3)	161 (5)
O10—H10B···O4^iv	0.84 (1)	2.04 (2)	2.858 (3)	165 (6)
O10—H10A···O4^vii	0.84 (1)	2.17 (2)	2.967 (3)	157 (5)
O11—H11B···O9^viii	0.84 (1)	1.99 (2)	2.809 (3)	164 (4)
O11—H11A···O8	0.84 (1)	2.38 (3)	3.093 (3)	143 (5)
O12—H12A···O7ⁱⁱ	0.84 (1)	2.23 (2)	2.986 (3)	150 (4)
O12—H12A···O10ⁱⁱⁱ	0.84 (1)	2.31 (4)	2.820 (3)	120 (3)
O12—H12B···O4	0.84 (1)	2.06 (2)	2.875 (3)	164 (5)

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

(SrClO4_9H2O_100K) Heptaaquadiperchloratostrontium dihydrate top

Crystal data top

[Sr(ClO₄)₂(H₂O)₇]·2H₂O	D_x = 2.067 Mg m⁻³
M_r = 448.66	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Cmcm	Cell parameters from 5894 reflections
a = 18.7808 (15) Å	θ = 8.3–29.6°
b = 6.860 (3) Å	µ = 4.20 mm⁻¹
c = 11.1884 (16) Å	T = 100 K
V = 1441.5 (7) Å³	Prism, colourless
Z = 4	0.2 × 0.11 × 0.05 mm
F(000) = 904

Data collection top

Stoe IPDS 2T diffractometer	1087 independent reflections
Radiation source: fine-focus sealed tube	993 reflections with I > 2σ(I)
Detector resolution: 6.67 pixels mm^-1	R_int = 0.020
rotation method scans	θ_max = 29.5°, θ_min = 3.2°
Absorption correction: integration (Coppens, 1970)	h = −26→26
T_min = 0.015, T_max = 0.085	k = −9→9
6877 measured reflections	l = −15→15

Refinement top

Refinement on F²	6 restraints
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F² > 2σ(F²)] = 0.048	Only H-atom coordinates refined
wR(F²) = 0.134	w = 1/[σ²(F_o²) + (0.1P)²] where P = (F_o² + 2F_c²)/3
S = 1.16	(Δ/σ)_max < 0.001
1087 reflections	Δρ_max = 1.27 e Å⁻³
70 parameters	Δρ_min = −2.25 e Å⁻³

Crystal data top

[Sr(ClO₄)₂(H₂O)₇]·2H₂O	V = 1441.5 (7) Å³
M_r = 448.66	Z = 4
Orthorhombic, Cmcm	Mo Kα radiation
a = 18.7808 (15) Å	µ = 4.20 mm⁻¹
b = 6.860 (3) Å	T = 100 K
c = 11.1884 (16) Å	0.2 × 0.11 × 0.05 mm

Data collection top

Stoe IPDS 2T diffractometer	1087 independent reflections
Absorption correction: integration (Coppens, 1970)	993 reflections with I > 2σ(I)
T_min = 0.015, T_max = 0.085	R_int = 0.020
6877 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.048	6 restraints
wR(F²) = 0.134	Only H-atom coordinates refined
S = 1.16	Δρ_max = 1.27 e Å⁻³
1087 reflections	Δρ_min = −2.25 e Å⁻³
70 parameters

Special details top

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

	x	y	z	U_iso*/U_eq
Sr1	0.5000	0.05870 (8)	0.2500	0.0096 (2)
Cl1	0.32953 (5)	−0.30996 (15)	0.2500	0.0113 (3)
O7	0.34391 (14)	−0.4247 (4)	0.3560 (2)	0.0177 (5)
O4	0.29063 (18)	0.0000	0.5000	0.0203 (7)
H4A	0.263 (2)	0.041 (7)	0.553 (3)	0.024*
O2	0.5000	−0.2257 (5)	0.4061 (3)	0.0156 (7)
H2A	0.5369 (16)	−0.215 (6)	0.448 (4)	0.019*
O1	0.40632 (13)	0.2050 (4)	0.4020 (2)	0.0147 (5)
H1A	0.3693 (15)	0.146 (6)	0.424 (4)	0.018*
H1B	0.392 (2)	0.315 (3)	0.380 (5)	0.018*
O5	0.3748 (2)	−0.1397 (5)	0.2500	0.0211 (8)
O6	0.2561 (2)	−0.2480 (6)	0.2500	0.0209 (8)
O3	0.5000	0.4459 (6)	0.2500	0.0141 (9)
H3A	0.5000	0.519 (9)	0.310 (4)	0.017*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.0111 (3)	0.0142 (3)	0.0035 (3)	0.000	0.000	0.000
Cl1	0.0105 (5)	0.0152 (5)	0.0083 (5)	−0.0003 (3)	0.000	0.000
O7	0.0221 (11)	0.0230 (11)	0.0079 (11)	0.0032 (10)	0.0004 (9)	0.0033 (8)
O4	0.0117 (15)	0.0346 (18)	0.0147 (17)	0.000	0.000	0.0023 (16)
O2	0.0144 (14)	0.0219 (15)	0.0106 (16)	0.000	0.000	0.0009 (13)
O1	0.0143 (10)	0.0202 (10)	0.0095 (10)	−0.0006 (9)	0.0009 (8)	−0.0001 (9)
O5	0.0208 (17)	0.0181 (16)	0.0243 (19)	−0.0067 (14)	0.000	0.000
O6	0.0096 (15)	0.0243 (17)	0.029 (2)	0.0032 (12)	0.000	0.000
O3	0.021 (2)	0.0122 (19)	0.009 (2)	0.000	0.000	0.000

Geometric parameters (Å, º) top

Sr1—O2	2.619 (4)	Sr1—O5	2.716 (4)
Sr1—O2ⁱ	2.619 (4)	Sr1—O5ⁱⁱ	2.716 (4)
Sr1—O1ⁱⁱ	2.645 (2)	Cl1—O6	1.443 (4)
Sr1—O1ⁱ	2.645 (2)	Cl1—O5	1.445 (4)
Sr1—O1ⁱⁱⁱ	2.645 (2)	Cl1—O7	1.449 (3)
Sr1—O1	2.645 (2)	Cl1—O7ⁱ	1.449 (3)
Sr1—O3	2.656 (5)

O2—Sr1—O2ⁱ	83.68 (16)	O2ⁱ—Sr1—O5	68.08 (7)
O2—Sr1—O1ⁱⁱ	81.60 (8)	O1ⁱⁱ—Sr1—O5	139.99 (5)
O2ⁱ—Sr1—O1ⁱⁱ	135.37 (6)	O1ⁱ—Sr1—O5	67.32 (8)
O2—Sr1—O1ⁱ	135.37 (6)	O1ⁱⁱⁱ—Sr1—O5	139.99 (5)
O2ⁱ—Sr1—O1ⁱ	81.60 (8)	O1—Sr1—O5	67.33 (8)
O1ⁱⁱ—Sr1—O1ⁱ	135.38 (11)	O3—Sr1—O5	120.07 (8)
O2—Sr1—O1ⁱⁱⁱ	135.37 (6)	O2—Sr1—O5ⁱⁱ	68.08 (7)
O2ⁱ—Sr1—O1ⁱⁱⁱ	81.60 (8)	O2ⁱ—Sr1—O5ⁱⁱ	68.08 (7)
O1ⁱⁱ—Sr1—O1ⁱⁱⁱ	80.01 (11)	O1ⁱⁱ—Sr1—O5ⁱⁱ	67.32 (8)
O1ⁱ—Sr1—O1ⁱⁱⁱ	83.41 (11)	O1ⁱ—Sr1—O5ⁱⁱ	139.99 (5)
O2—Sr1—O1	81.60 (8)	O1ⁱⁱⁱ—Sr1—O5ⁱⁱ	67.32 (8)
O2ⁱ—Sr1—O1	135.37 (6)	O1—Sr1—O5ⁱⁱ	139.99 (5)
O1ⁱⁱ—Sr1—O1	83.41 (11)	O3—Sr1—O5ⁱⁱ	120.07 (8)
O1ⁱ—Sr1—O1	80.01 (11)	O5—Sr1—O5ⁱⁱ	119.85 (17)
O1ⁱⁱⁱ—Sr1—O1	135.38 (11)	O6—Cl1—O5	108.9 (2)
O2—Sr1—O3	138.16 (8)	O6—Cl1—O7	109.77 (14)
O2ⁱ—Sr1—O3	138.16 (8)	O5—Cl1—O7	109.23 (14)
O1ⁱⁱ—Sr1—O3	67.69 (6)	O6—Cl1—O7ⁱ	109.77 (14)
O1ⁱ—Sr1—O3	67.69 (6)	O5—Cl1—O7ⁱ	109.24 (14)
O1ⁱⁱⁱ—Sr1—O3	67.69 (6)	O7—Cl1—O7ⁱ	109.9 (2)
O1—Sr1—O3	67.69 (6)	Cl1—O5—Sr1	156.2 (2)
O2—Sr1—O5	68.08 (7)

Symmetry codes: (i) x, y, −z+1/2; (ii) −x+1, y, z; (iii) −x+1, y, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1B···O7^iv	0.84 (1)	2.02 (2)	2.844 (4)	169 (5)
O1—H1A···O4	0.84 (1)	1.98 (1)	2.811 (4)	170 (5)
O2—H2A···O1^v	0.84 (1)	1.99 (2)	2.780 (4)	156 (5)
O3—H3A···O2^iv	0.84 (1)	2.05 (3)	2.851 (5)	158 (7)
O4—H4A···O6^vi	0.84 (1)	2.62 (3)	3.337 (2)	144 (4)
O4—H4A···O7^vii	0.84 (1)	2.39 (3)	3.041 (4)	135 (4)

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

Hydrogen-bond geometry (Å, º) for (SrClO4_9H2O_100K) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1B···O7ⁱ	0.838 (10)	2.017 (15)	2.844 (4)	169 (5)
O1—H1A···O4	0.840 (10)	1.979 (14)	2.811 (4)	170 (5)
O2—H2A···O1ⁱⁱ	0.840 (10)	1.99 (2)	2.780 (4)	156 (5)
O3—H3A···O2ⁱ	0.840 (10)	2.05 (3)	2.851 (5)	158 (7)
O4—H4A···O6ⁱⁱⁱ	0.839 (10)	2.62 (3)	3.337 (2)	144 (4)
O4—H4A···O7^iv	0.839 (10)	2.39 (3)	3.041 (4)	135 (4)

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

Hydrogen-bond geometry (Å, º) for (SrClO4_3H2O_100K) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O5ⁱ	0.837 (10)	2.13 (4)	2.683 (4)	123 (4)
O1—H1B···O18ⁱ	0.835 (10)	2.07 (2)	2.858 (4)	158 (4)
O2—H2B···O16ⁱⁱ	0.837 (10)	2.096 (14)	2.923 (4)	169 (4)
O2—H2A···O16	0.839 (10)	2.17 (2)	2.992 (4)	167 (7)
O3—H3A···O18ⁱⁱⁱ	0.838 (10)	1.961 (12)	2.793 (4)	172 (4)
O3—H3B···O17^iv	0.838 (10)	2.058 (18)	2.857 (4)	159 (4)
O4—H4B···O21^v	0.839 (10)	2.15 (2)	2.953 (4)	161 (5)
O4—H4A···O22^vi	0.838 (10)	2.42 (2)	3.173 (4)	150 (4)
O6—H6A···O14ⁱⁱⁱ	0.84 (7)	2.56 (7)	3.069 (4)	121 (5)
O6—H6A···O19^vii	0.84 (7)	2.19 (7)	2.964 (4)	155 (6)
O6—H6B···O17^viii	0.92 (6)	2.09 (6)	2.920 (4)	150 (5)
O7—H7A···O20^ix	0.839 (10)	2.31 (4)	3.044 (4)	146 (7)
O7—H7A···O22^vi	0.839 (10)	2.44 (7)	2.902 (4)	116 (6)
O7—H7B···O17^viii	0.840 (10)	2.48 (5)	2.916 (4)	114 (4)
O7—H7B···O20^v	0.840 (10)	2.247 (17)	3.071 (4)	167 (5)

Symmetry codes: (i) x+1, y, z; (ii) −x+1, −y+1, −z; (iii) −x+1/2, y−1/2, −z+1/2; (iv) x−1/2, −y+3/2, z+1/2; (v) x−1/2, −y+3/2, z−1/2; (vi) −x+1, −y+2, −z; (vii) −x, −y+1, −z; (viii) x−1, y, z; (ix) −x+1/2, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å, º) for (SrClO4_4H2O_150K) top

D—H···A	D—H	H···A	D···A	D—H···A
O9—H9A···O8ⁱ	0.838 (10)	2.152 (17)	2.966 (3)	164 (4)
O9—H9B···O8ⁱⁱ	0.839 (10)	2.18 (2)	2.986 (3)	161 (5)
O10—H10B···O4ⁱⁱⁱ	0.838 (10)	2.039 (19)	2.858 (3)	165 (6)
O10—H10A···O4^iv	0.841 (10)	2.17 (2)	2.967 (3)	157 (5)
O11—H11B···O9^v	0.838 (10)	1.992 (16)	2.809 (3)	164 (4)
O11—H11A···O8	0.838 (10)	2.38 (3)	3.093 (3)	143 (5)
O12—H12A···O7^vi	0.840 (10)	2.23 (2)	2.986 (3)	150 (4)
O12—H12A···O10^vii	0.840 (10)	2.31 (4)	2.820 (3)	120 (3)
O12—H12B···O4	0.839 (10)	2.060 (17)	2.875 (3)	164 (5)

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

Experimental details

	[Sr(ClO₄)₂(H₂O)₃]	[Sr(ClO₄)₂(H₂O)₄]	[Sr(ClO₄)₂(H₂O)₇]·2H₂O
Crystal data
M_r	340.57	358.58	448.66
Crystal system, space group	Monoclinic, P2₁/n	Triclinic, P1	Orthorhombic, Cmcm
Temperature (K)	100	150	100
a, b, c (Å)	8.9787 (6), 13.4870 (12), 14.7875 (10)	7.1571 (6), 7.3942 (6), 10.0231 (9)	18.7808 (15), 6.860 (3), 11.1884 (16)
α, β, γ (°)	90, 95.448 (5), 90	86.674 (7), 86.291 (7), 72.027 (6)	90, 90, 90
V (Å³)	1782.6 (2)	503.09 (8)	1441.5 (7)
Z	8	2	4
Radiation type	Mo Kα	Mo Kα	Mo Kα
µ (mm⁻¹)	6.70	5.94	4.20
Crystal size (mm)	0.45 × 0.34 × 0.23	0.33 × 0.25 × 0.16	0.2 × 0.11 × 0.05

Data collection
Diffractometer	Stoe IPDS 2T diffractometer	Stoe IPDS 2T diffractometer	Stoe IPDS 2T diffractometer
Absorption correction	Integration (Coppens, 1970)	Integration (Coppens, 1970)	Integration (Coppens, 1970)
T_min, T_max	0.081, 0.212	0.187, 0.383	0.015, 0.085
No. of measured, independent and observed [I > 2σ(I)] reflections	50555, 4941, 3337	10691, 2818, 2650	6877, 1087, 993
R_int	0.125	0.065	0.020
(sin θ/λ)_max (Å⁻¹)	0.650	0.695	0.693

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.024, 0.046, 1.09	0.028, 0.076, 1.10	0.048, 0.134, 1.16
No. of reflections	4087	2795	1087
No. of parameters	297	169	70
No. of restraints	15	12	6
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement	All H-atom parameters refined	Only H-atom coordinates refined
Δρ_max, Δρ_min (e Å⁻³)	0.56, −0.63	0.83, −1.15	1.27, −2.25

Computer programs: X-AREA (Stoe & Cie, 2009), X-RED (Stoe & Cie, 2009), SHELXS97 (Sheldrick, 2008), SHELXL2012 (Sheldrick, 2008), DIAMOND (Brandenburg, 2006), publCIF (Westrip, 2010).

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Volume 70| Part 12| December 2014| Pages 510-514

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