Diammonium tricadmium tris­(sulfate) dihydroxide dihydrate

The title compound, (NH₄)₂Cd₃(SO₄)₃(OH)₂(H₂O)₂, has been obtained serendipitously. It is isotypic with the heavier alkali analogues M₂Cd₃(SO₄)₃(OH)₂(H₂O)₂ (M = K, Rb, Cs). The structure contains two Cd²⁺ ions, one in a general position and one with site symmetry m. The former Cd²⁺ ion is coordinated by three O atoms of three SO₄ groups, two hydroxide O atoms and one water O atom, the latter Cd²⁺ ion by four O atoms of four SO₄ groups and two hydroxide O atoms, both in a distorted octa­hedral coordination geometry. This arrangement leads to the formation of a layered framework extending parallel to (100), with the ammonium cations situated in the voids. O—H...O hydrogen bonds involving the water mol­ecules, hydroxide groups and sulfate O atoms, as well as N—H...O hydrogen bonds between ammonium cations and sulfate O atoms consolidate the crystal packing.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](S-O) = 0.005 Å
• R factor = 0.027
• wR factor = 0.066
• Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         O5

Alert level C
PLAT213_ALERT_2_C Atom O7              has ADP max/min Ratio .....       3.20 prola
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.09 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         S2
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1D    ..  O2      ..       2.64 Ang.
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.47
           From the CIF: _reflns_number_total               1770
           Count of symmetry unique reflns          947
           Completeness (_total/calc)            186.91%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       823
           Fraction of Friedel pairs measured     0.869
           Are heavy atom types Z>Si present        yes
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          1
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cd2     (II)          2.36

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

---

S1. Comment

The title compound, (NH₄)₂Cd₃(SO₄)₃(OH)₂(H₂O)₂, (I), formed accidentally under hydrothermal reaction conditions. Our intended target product was to synthesis a coordination compound from 1H-benzimidazole-5,6-dicarboxylate and CdSO₄^.8/3H₂O. The presence of ammonium ions in the finally obtained compound points to an internal redox process that presumably has caused a (partly) reduction of the nitrogen atoms of 1H-benzimidazole-5,6-dicarboxylate or the nitrate anions. (NH₄)₂Cd₃(SO₄)₃(OH)₂(H₂O)₂ is isotypic with other M₂Cd₃(SO₄)₃(OH)₂(H₂O)₂ members (M = K, Cs (Louer & Louer, 1982); M = Rb (Swain & Guru Row, 2006)).

The asymmetric unit of (I) is illustrated in Fig. 1. The crystal structure of (NH₄)₂Cd₃(SO₄)₃(OH)₂(H₂O)₂ is made up from two different Cd²⁺ ions (one on a general position (Cd1), one with site symmetry m (Cd2)), two sulfate ions (likewise one on a general position and the other with site symmetry m), two hydroxide groups, one water molecule and one NH₄⁺ cation. Both Cd²⁺ cations are six-coordinated in an octahedral coordination geometry. Cd2 is coordinated by four sulfate ions and two hydroxide ions, while Cd1 is coordinated by three sulfate ons, two hydroxide anions and one water molecule. There are four types of oxygen atoms in the crystal structure of the title compound. The O3 atom of one SO₄^2- anion is solely bound to the S atom, O8 and O9 represent the oxygen atoms of hydroxide groups shared by three Cd atoms, O10 is the water O atom bound to one Cd atom and all other O atoms represent sulfate O atoms coordinated to only one Cd atom.

As can be seen in Fig. 2, the Cd(1)O₆ polyhedra are connected by sharing edges of OH groups. Cd(2)O₆ octahedra and SO₄ tetrahedra are linked to these dimers via common corners, thus forming a two-dimensional network extending parallel to the bc plane. The NH₄⁺ cations are situated in the voids of the layers. Through formation of N—H···O and O—H···O hydrogen bonds a three-dimensional structure is formed. Since all water and hydroxide groups and most of the sulfate O atoms are involved in hydrogen bonding, the resulting network can be considered as relatively stable (Table 2, Fig. 3).

Related literature

For the isotypic K and Cs analogues, see: Louer & Louer (1982), and for the Rb analogue, see: Swain & Guru Row (2006).

S2. Experimental

All reagents were obtained from commercial sources and used without further purification. A mixture of CdSO₄^.8/3H₂O (0.2565 g, 1.0 mmol), 1H-benzimidazole-5,6-dicarboxylate (0.1236 g,0.6 mmol), CH₃CN (6 ml) and 4 ml water were added to a 23 ml Teflon-lined stainless container, which was heated to 423 K and held at that temperature for 5 days. After cooling to room temperature in 24 h, colourless crystals were recovered by filtration (yield 49% based on CdSO₄^.8/3H₂O).

S3. Refinement

The H atoms were localized from a difference Fourier map. Their coordinates were refined independently with O—H distances restrained to 0.85 (2) Å and the H—H = 1.30 (2)Å for the water H atoms. The isotropic temperature parameters of the H atoms were refined with 1.2Ueq of the parent atom. H atoms of the ammonium cation were placed in calculated positions, with N—H = 0.90Å, Uiso(H) = 1.2 Ueq(N). The deepest hole in the final Fourier map is 0.8 Å from Cd2.

Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT-Plus (Bruker, 2003); data reduction: SAINT-Plus (Bruker, 2003); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures

	Fig. 1. The asymmetric unit of (I), with displacement parameters shown at the 30% probability level.
	Fig. 2. View of the two-dimensional network structure of (I) parallel to (100) in the polyhedral representation.
	Fig. 3. Three-dimensional supramolecular structure of (I), built up through hydrogen bonding. NH4^+ ions have been omitted for clarity.

Diammonium tricadmium tris(sulfate) dihydroxide dihydrate

Crystal data

Cd3H6O16S3·2NH4	F(000) = 1392
Mr = 731.51	Dx = 3.240 Mg m^−3
Orthorhombic, Cmc21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C 2c -2	Cell parameters from 12815 reflections
a = 18.906 (3) Å	θ = 1.7–27.5°
b = 7.9483 (11) Å	µ = 4.72 mm^−1
c = 9.9809 (13) Å	T = 296 K
V = 1499.8 (4) Å^3	Block, colourless
Z = 4	0.12 × 0.10 × 0.08 mm

Data collection

Bruker SMART CCD diffractometer	1770 independent reflections
Radiation source: fine-focus sealed tube	1739 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.051
φ and ω–scans	θmax = 27.5°, θmin = 3.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −24→24
Tmin = 0.601, Tmax = 0.704	k = −10→10
7060 measured reflections	l = −12→12

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.027	H-atom parameters constrained
wR(F^2) = 0.066	w = 1/[σ^2(Fo^2) + (0.0328P)^2 + 1.1583P] where P = (Fo^2 + 2Fc^2)/3
S = 1.08	(Δ/σ)max < 0.001
1770 reflections	Δρmax = 0.68 e Å^−3
118 parameters	Δρmin = −1.31 e Å^−3
1 restraint	Absolute structure: Flack (1983), 825 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.07 (4)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Cd1	0.588435 (18)	0.46065 (4)	0.29502 (5)	0.01981 (11)
Cd2	0.5000	0.19102 (5)	0.58110 (4)	0.01744 (12)
S1	0.67635 (6)	0.30002 (13)	0.57340 (14)	0.0184 (2)
S2	0.5000	0.8103 (2)	0.41513 (16)	0.0192 (4)
O1	0.6589 (3)	0.4252 (6)	0.4718 (4)	0.0387 (11)
O2	0.6223 (2)	0.1661 (4)	0.5730 (5)	0.0299 (8)
O3	0.7446 (2)	0.2229 (5)	0.5454 (5)	0.0357 (11)
O4	0.6794 (2)	0.3814 (5)	0.7053 (4)	0.0299 (9)
O5	0.5621 (3)	0.7036 (8)	0.4165 (6)	0.0583 (18)
O6	0.5000	0.9205 (6)	0.3000 (7)	0.0500 (19)
O7	0.5000	0.9098 (6)	0.5395 (5)	0.0303 (13)
O8	0.5000	0.5445 (5)	0.1571 (5)	0.0192 (11)
H8A	0.5000	0.4922	0.0828	0.029*
O9	0.5000	0.2910 (6)	0.3712 (5)	0.0201 (10)
H9A	0.5000	0.1896	0.3440	0.030*
O10	0.6329 (2)	0.2327 (5)	0.1789 (4)	0.0293 (8)
H10A	0.6695	0.2468	0.1308	0.044*
H10B	0.5985	0.2025	0.1297	0.044*
N1	0.6921 (3)	0.9615 (4)	0.3464 (5)	0.0238 (10)
H1A	0.6950	0.9457	0.4356	0.029*
H1B	0.6538	1.0244	0.3276	0.029*
H1C	0.7312	1.0147	0.3174	0.029*
H1D	0.6883	0.8612	0.3052	0.029*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.02190 (18)	0.01799 (18)	0.01954 (18)	0.00123 (11)	−0.00023 (14)	0.00305 (13)
Cd2	0.0246 (3)	0.0116 (2)	0.0161 (2)	0.000	0.000	−0.00027 (18)
S1	0.0206 (6)	0.0174 (5)	0.0172 (5)	0.0020 (4)	−0.0014 (5)	0.0002 (4)
S2	0.0299 (10)	0.0120 (7)	0.0157 (8)	0.000	0.000	−0.0020 (5)
O1	0.051 (3)	0.034 (2)	0.032 (2)	−0.014 (2)	−0.024 (2)	0.0156 (18)
O2	0.028 (2)	0.0217 (15)	0.040 (2)	−0.0028 (14)	−0.0029 (18)	−0.0014 (18)
O3	0.027 (2)	0.036 (3)	0.045 (2)	0.0036 (19)	0.0040 (16)	−0.0123 (17)
O4	0.036 (2)	0.034 (2)	0.0201 (17)	0.0036 (18)	−0.0002 (15)	−0.0073 (15)
O5	0.059 (4)	0.066 (3)	0.051 (3)	0.042 (3)	−0.027 (3)	−0.034 (3)
O6	0.120 (6)	0.016 (2)	0.014 (2)	0.000	0.000	−0.001 (3)
O7	0.063 (4)	0.011 (2)	0.016 (2)	0.000	0.000	−0.0070 (19)
O8	0.031 (3)	0.014 (2)	0.012 (2)	0.000	0.000	−0.0018 (16)
O9	0.023 (3)	0.016 (2)	0.021 (2)	0.000	0.000	0.0034 (17)
O10	0.024 (2)	0.0293 (19)	0.034 (2)	0.0021 (16)	−0.0009 (16)	−0.0066 (17)
N1	0.034 (3)	0.016 (2)	0.022 (2)	0.0022 (15)	−0.0038 (19)	−0.0032 (17)

Geometric parameters (Å, º)

Cd1—O1	2.228 (4)	S2—O6	1.444 (6)
Cd1—O8	2.266 (3)	S2—O5^ii	1.449 (5)
Cd1—O9	2.278 (3)	S2—O5	1.449 (5)
Cd1—O10	2.309 (4)	S2—O7	1.472 (5)
Cd1—O4^i	2.310 (4)	O4—Cd1^v	2.310 (4)
Cd1—O5	2.333 (5)	O6—Cd2^vi	2.358 (6)
Cd1—Cd1^ii	3.3439 (8)	O7—Cd2^vii	2.274 (5)
Cd2—O8^iii	2.235 (4)	O8—Cd2^vi	2.235 (4)
Cd2—O9	2.241 (5)	O8—Cd1^ii	2.266 (3)
Cd2—O7^iv	2.274 (5)	O8—H8A	0.8500
Cd2—O2	2.323 (4)	O9—Cd1^ii	2.278 (3)
Cd2—O2^ii	2.323 (4)	O9—H9A	0.8501
Cd2—O6^iii	2.358 (6)	O10—H10A	0.8500
Cd2—H9A	2.3665	O10—H10B	0.8501
S1—O3	1.456 (4)	N1—H1A	0.9000
S1—O1	1.459 (4)	N1—H1B	0.9001
S1—O4	1.468 (4)	N1—H1C	0.9001
S1—O2	1.475 (4)	N1—H1D	0.9000
O1—Cd1—O8	163.57 (18)	O2—Cd2—Cd1^iii	120.64 (10)
O1—Cd1—O9	95.73 (17)	O2^ii—Cd2—Cd1^iii	69.55 (10)
O8—Cd1—O9	80.52 (14)	O6^iii—Cd2—Cd1^iii	76.00 (12)
O1—Cd1—O10	94.62 (17)	Cd1^v—Cd2—Cd1^iii	51.115 (14)
O8—Cd1—O10	101.21 (15)	O8^iii—Cd2—H9A	110.1
O9—Cd1—O10	88.27 (16)	O9—Cd2—H9A	21.0
O1—Cd1—O4^i	86.03 (15)	O7^iv—Cd2—H9A	79.2
O8—Cd1—O4^i	98.85 (13)	O2—Cd2—H9A	88.0
O9—Cd1—O4^i	175.79 (16)	O2^ii—Cd2—H9A	88.0
O10—Cd1—O4^i	87.77 (15)	O6^iii—Cd2—H9A	157.7
O1—Cd1—O5	79.68 (19)	Cd1^v—Cd2—H9A	123.7
O8—Cd1—O5	85.11 (16)	Cd1^iii—Cd2—H9A	123.7
O9—Cd1—O5	99.2 (2)	O3—S1—O1	110.7 (3)
O10—Cd1—O5	171.0 (2)	O3—S1—O4	108.8 (3)
O4^i—Cd1—O5	84.9 (2)	O1—S1—O4	109.4 (3)
O1—Cd1—Cd1^ii	126.71 (14)	O3—S1—O2	108.0 (2)
O8—Cd1—Cd1^ii	42.45 (9)	O1—S1—O2	109.5 (3)
O9—Cd1—Cd1^ii	42.79 (8)	O4—S1—O2	110.3 (3)
O10—Cd1—Cd1^ii	111.34 (10)	O6—S2—O5^ii	111.2 (3)
O4^i—Cd1—Cd1^ii	138.11 (10)	O6—S2—O5	111.2 (3)
O5—Cd1—Cd1^ii	77.68 (16)	O5^ii—S2—O5	108.3 (6)
O1—Cd1—Cd2^vi	141.66 (12)	O6—S2—O7	110.2 (3)
O8—Cd1—Cd2^vi	30.33 (10)	O5^ii—S2—O7	107.9 (2)
O9—Cd1—Cd2^vi	106.86 (9)	O5—S2—O7	107.9 (2)
O10—Cd1—Cd2^vi	116.18 (10)	S1—O1—Cd1	140.5 (3)
O4^i—Cd1—Cd2^vi	73.69 (10)	S1—O2—Cd2	128.9 (2)
O5—Cd1—Cd2^vi	66.61 (14)	S1—O4—Cd1^v	123.9 (2)
Cd1^ii—Cd1—Cd2^vi	64.443 (7)	S2—O5—Cd1	130.8 (3)
O8^iii—Cd2—O9	89.07 (18)	S2—O6—Cd2^vi	120.6 (3)
O8^iii—Cd2—O7^iv	170.68 (18)	S2—O7—Cd2^vii	133.0 (3)
O9—Cd2—O7^iv	100.25 (17)	Cd2^vi—O8—Cd1^ii	118.87 (13)
O8^iii—Cd2—O2	95.29 (9)	Cd2^vi—O8—Cd1	118.87 (13)
O9—Cd2—O2	89.88 (12)	Cd1^ii—O8—Cd1	95.09 (18)
O7^iv—Cd2—O2	84.82 (8)	Cd2^vi—O8—H8A	99.4
O8^iii—Cd2—O2^ii	95.29 (9)	Cd1^ii—O8—H8A	112.7
O9—Cd2—O2^ii	89.88 (12)	Cd1—O8—H8A	112.7
O7^iv—Cd2—O2^ii	84.82 (9)	Cd2—O9—Cd1^ii	121.45 (15)
O2—Cd2—O2^ii	169.42 (18)	Cd2—O9—Cd1	121.45 (15)
O8^iii—Cd2—O6^iii	92.24 (18)	Cd1^ii—O9—Cd1	94.41 (17)
O9—Cd2—O6^iii	178.69 (19)	Cd2—O9—H9A	87.8
O7^iv—Cd2—O6^iii	78.44 (18)	Cd1^ii—O9—H9A	117.0
O2—Cd2—O6^iii	90.00 (12)	Cd1—O9—H9A	117.0
O2^ii—Cd2—O6^iii	90.00 (12)	Cd1—O10—H10A	118.4
O8^iii—Cd2—Cd1^v	30.80 (7)	Cd1—O10—H10B	103.5
O9—Cd2—Cd1^v	105.18 (11)	H10A—O10—H10B	109.5
O7^iv—Cd2—Cd1^v	143.41 (9)	H1A—N1—H1B	109.5
O2—Cd2—Cd1^v	69.55 (10)	H1A—N1—H1C	109.5
O2^ii—Cd2—Cd1^v	120.64 (10)	H1B—N1—H1C	109.5
O6^iii—Cd2—Cd1^v	76.00 (12)	H1A—N1—H1D	109.5
O8^iii—Cd2—Cd1^iii	30.80 (7)	H1B—N1—H1D	109.5
O9—Cd2—Cd1^iii	105.18 (11)	H1C—N1—H1D	109.5
O7^iv—Cd2—Cd1^iii	143.41 (9)
O3—S1—O1—Cd1	105.4 (5)	O5—S2—O7—Cd2^vii	121.6 (4)
O4—S1—O1—Cd1	−134.6 (5)	O1—Cd1—O8—Cd2^vi	72.2 (6)
O2—S1—O1—Cd1	−13.6 (6)	O9—Cd1—O8—Cd2^vi	150.2 (2)
O8—Cd1—O1—S1	106.0 (6)	O10—Cd1—O8—Cd2^vi	−123.5 (2)
O9—Cd1—O1—S1	30.2 (6)	O4^i—Cd1—O8—Cd2^vi	−34.0 (2)
O10—Cd1—O1—S1	−58.5 (6)	O5—Cd1—O8—Cd2^vi	50.0 (3)
O4^i—Cd1—O1—S1	−146.0 (6)	Cd1^ii—Cd1—O8—Cd2^vi	127.1 (3)
O5—Cd1—O1—S1	128.5 (6)	O1—Cd1—O8—Cd1^ii	−54.8 (6)
Cd1^ii—Cd1—O1—S1	62.5 (6)	O9—Cd1—O8—Cd1^ii	23.12 (17)
Cd2^vi—Cd1—O1—S1	156.8 (4)	O10—Cd1—O8—Cd1^ii	109.44 (16)
O3—S1—O2—Cd2	−171.0 (3)	O4^i—Cd1—O8—Cd1^ii	−161.09 (15)
O1—S1—O2—Cd2	−50.3 (4)	O5—Cd1—O8—Cd1^ii	−77.1 (2)
O4—S1—O2—Cd2	70.2 (4)	Cd2^vi—Cd1—O8—Cd1^ii	−127.1 (3)
O8^iii—Cd2—O2—S1	−18.0 (4)	O8^iii—Cd2—O9—Cd1^ii	−59.33 (18)
O9—Cd2—O2—S1	71.1 (4)	O7^iv—Cd2—O9—Cd1^ii	120.67 (18)
O7^iv—Cd2—O2—S1	171.4 (4)	O2—Cd2—O9—Cd1^ii	−154.6 (2)
O2^ii—Cd2—O2—S1	159.8 (9)	O2^ii—Cd2—O9—Cd1^ii	36.0 (2)
O6^iii—Cd2—O2—S1	−110.2 (4)	Cd1^v—Cd2—O9—Cd1^ii	−85.89 (17)
Cd1^v—Cd2—O2—S1	−35.2 (3)	Cd1^iii—Cd2—O9—Cd1^ii	−32.8 (2)
Cd1^iii—Cd2—O2—S1	−36.5 (4)	O8^iii—Cd2—O9—Cd1	59.33 (18)
O3—S1—O4—Cd1^v	175.6 (3)	O7^iv—Cd2—O9—Cd1	−120.67 (18)
O1—S1—O4—Cd1^v	54.5 (3)	O2—Cd2—O9—Cd1	−36.0 (2)
O2—S1—O4—Cd1^v	−66.0 (3)	O2^ii—Cd2—O9—Cd1	154.6 (2)
O6—S2—O5—Cd1	−77.9 (6)	Cd1^v—Cd2—O9—Cd1	32.8 (2)
O5^ii—S2—O5—Cd1	44.7 (8)	Cd1^iii—Cd2—O9—Cd1	85.89 (17)
O7—S2—O5—Cd1	161.1 (5)	O1—Cd1—O9—Cd2	9.6 (2)
O1—Cd1—O5—S2	−156.4 (6)	O8—Cd1—O9—Cd2	−154.3 (2)
O8—Cd1—O5—S2	17.4 (6)	O10—Cd1—O9—Cd2	104.0 (2)
O9—Cd1—O5—S2	−62.2 (6)	O5—Cd1—O9—Cd2	−70.9 (2)
O4^i—Cd1—O5—S2	116.8 (6)	Cd1^ii—Cd1—O9—Cd2	−131.3 (3)
Cd1^ii—Cd1—O5—S2	−24.9 (5)	Cd2^vi—Cd1—O9—Cd2	−139.10 (15)
Cd2^vi—Cd1—O5—S2	42.3 (5)	O1—Cd1—O9—Cd1^ii	140.89 (19)
O5^ii—S2—O6—Cd2^vi	−60.4 (3)	O8—Cd1—O9—Cd1^ii	−22.97 (17)
O5—S2—O6—Cd2^vi	60.4 (3)	O10—Cd1—O9—Cd1^ii	−124.63 (17)
O7—S2—O6—Cd2^vi	180.0	O5—Cd1—O9—Cd1^ii	60.45 (19)
O6—S2—O7—Cd2^vii	0.000 (2)	Cd2^vi—Cd1—O9—Cd1^ii	−7.76 (18)
O5^ii—S2—O7—Cd2^vii	−121.6 (4)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O10—H10B···O7^vi	0.85	2.25	3.087 (5)	167
O10—H10B···O5^i	0.85	2.36	2.985 (6)	131
O9—H9A···O6^iv	0.85	2.18	3.029 (7)	173
O8—H8A···O5^i	0.85	2.56	3.322 (9)	150
O8—H8A···O5^vi	0.85	2.56	3.322 (9)	150
N1—H1B···O10^vii	0.90	2.26	2.948 (6)	133
N1—H1D···O4^i	0.90	2.18	3.077 (5)	180
N1—H1C···O4^viii	0.90	2.19	3.074 (7)	168
N1—H1A···O3^ix	0.90	2.38	2.995 (6)	126
N1—H1D···O2^i	0.90	2.64	3.196 (7)	121

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