Dirubidium tricadmium tetra­kis­(sulfate) penta­hydrate

The title compound, Rb₂Cd₃(SO₄)₄·5H₂O, arose as an unexpected product during the attempted synthesis of an Rb₂Cd₂(SO₄)₃ potassium cadmium sulfate langbeinite, It has two layers, layer A containing Cd octa­hedra bridged by sulfate groups and layer B containing edge-shared Cd octa­hedra, with Rb atoms occupying inter­stial positions. The layers are connected by way of Cd-O-S links.

Key indicators

• Single-crystal X-ray study
• T = 90 K
• Mean [sigma](S-O)= 0.003 Å
• R factor = 0.022
• wR factor = 0.059
• Data-to-parameter ratio = 11.0

checkCIF/PLATON results

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and CAMERON (Watkin et al., 1993); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON (Spek, 2003).

dirubidium tricadmium tetrakis(sulfate) pentahydrate

Crystal data

Rb2Cd3(SO4)4·5H2O	F(000) = 1840
Mr = 982.53	Dx = 3.473 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2 y b c	Cell parameters from 890 reflections
a = 19.6755 (16) Å	θ = 0.9–28.7°
b = 9.7855 (8) Å	µ = 9.06 mm^−1
c = 9.9593 (8) Å	T = 90 K
β = 101.498 (1)°	Plate, colourless
V = 1879.0 (3) Å^3	0.29 × 0.16 × 0.03 mm
Z = 4

Data collection

Bruker SMART CCD diffractometer	3434 independent reflections
Radiation source: fine-focus sealed tube	3296 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.031
φ and ω scans	θmax = 25.4°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −23→23
Tmin = 0.189, Tmax = 0.755	k = −11→11
13435 measured reflections	l = −11→11

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.022	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.059	H-atom parameters constrained
S = 1.10	w = 1/[σ^2(Fo^2) + (0.024P)^2 + 6.4725P] where P = (Fo^2 + 2Fc^2)/3
3434 reflections	(Δ/σ)max = 0.001
311 parameters	Δρmax = 1.09 e Å^−3
0 restraints	Δρmin = −0.58 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Cd1	0.156420 (15)	0.13963 (3)	0.05918 (3)	0.00701 (9)
Cd2	0.176656 (15)	−0.34619 (3)	−0.16746 (3)	0.00682 (9)
Cd3	0.439659 (15)	−0.27734 (3)	−0.44185 (3)	0.00716 (9)
Rb1	0.37802 (2)	−0.66087 (4)	−0.36226 (4)	0.01088 (10)
Rb2	0.24386 (2)	0.00919 (4)	−0.26376 (4)	0.00955 (10)
S1	0.06377 (5)	−0.07989 (10)	−0.18459 (10)	0.0072 (2)
S2	0.24848 (5)	−0.66178 (9)	−0.10851 (10)	0.0070 (2)
S3	0.26885 (5)	−0.35483 (9)	−0.43000 (10)	0.0060 (2)
S4	0.43671 (5)	−0.02502 (10)	−0.21204 (10)	0.0074 (2)
O1	0.09714 (16)	0.0546 (3)	−0.1443 (3)	0.0119 (6)
O2	−0.00138 (15)	−0.0585 (3)	−0.2824 (3)	0.0120 (6)
O3	0.05128 (16)	−0.1526 (3)	−0.0614 (3)	0.0111 (6)
O4	0.11104 (16)	−0.1618 (3)	−0.2509 (3)	0.0107 (6)
O5	0.25604 (15)	−0.5100 (3)	−0.1053 (3)	0.0106 (6)
O6	0.23424 (15)	−0.7064 (3)	0.0263 (3)	0.0086 (6)
O7	0.18838 (15)	−0.7027 (3)	−0.2150 (3)	0.0105 (6)
O8	0.31206 (16)	−0.7248 (3)	−0.1322 (3)	0.0116 (6)
O9	0.24911 (15)	−0.5004 (3)	−0.4475 (3)	0.0099 (6)
O10	0.22348 (15)	−0.2822 (3)	−0.3537 (3)	0.0091 (6)
O11	0.26326 (15)	−0.2904 (3)	−0.5654 (3)	0.0093 (6)
O12	0.34245 (15)	−0.3476 (3)	−0.3572 (3)	0.0090 (6)
O13	0.46482 (16)	−0.1597 (3)	−0.2423 (3)	0.0108 (6)
O14	0.49248 (16)	0.0785 (3)	−0.2100 (3)	0.0132 (6)
O15	0.37711 (16)	0.0129 (3)	−0.3170 (3)	0.0130 (6)
O16	0.41817 (16)	−0.0340 (3)	−0.0754 (3)	0.0114 (6)
O17W	0.07171 (15)	0.2939 (3)	0.0861 (3)	0.0116 (6)
O18W	0.10238 (15)	−0.0292 (3)	0.1676 (3)	0.0090 (6)
O19W	0.11853 (16)	−0.4367 (3)	−0.0122 (3)	0.0117 (6)
O20W	0.53130 (16)	−0.1644 (3)	−0.5106 (3)	0.0120 (6)
O21W	0.38689 (15)	−0.1042 (3)	−0.5815 (3)	0.0106 (6)
H17A	0.0788	0.3148	0.1675	0.031*
H17B	0.0320	0.2642	0.0756	0.031*
H18A	0.0695	0.0059	0.1939	0.028*
H18B	0.0872	−0.0779	0.1014	0.049*
H19A	0.1073	−0.4046	0.0563	0.039*
H19B	0.0893	−0.4975	−0.0270	0.034*
H20A	0.5424	−0.0913	−0.4722	0.045*
H20B	0.5168	−0.1620	−0.5937	0.045*
H21A	0.3528	−0.0686	−0.5603	0.026*
H21B	0.3711	−0.1145	−0.6635	0.026*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.00784 (16)	0.00547 (15)	0.00797 (15)	−0.00013 (11)	0.00217 (12)	−0.00023 (10)
Cd2	0.00762 (16)	0.00509 (15)	0.00789 (15)	−0.00016 (11)	0.00190 (12)	0.00030 (10)
Cd3	0.00839 (16)	0.00563 (15)	0.00780 (15)	−0.00029 (11)	0.00248 (11)	0.00020 (10)
Rb1	0.0103 (2)	0.0101 (2)	0.0126 (2)	0.00076 (15)	0.00317 (16)	0.00059 (14)
Rb2	0.0123 (2)	0.00690 (19)	0.0101 (2)	−0.00057 (15)	0.00374 (15)	0.00096 (14)
S1	0.0073 (5)	0.0067 (5)	0.0079 (5)	0.0005 (4)	0.0023 (4)	−0.0001 (4)
S2	0.0086 (5)	0.0047 (5)	0.0077 (5)	0.0000 (4)	0.0021 (4)	0.0004 (3)
S3	0.0061 (5)	0.0050 (4)	0.0071 (5)	−0.0002 (4)	0.0023 (4)	−0.0001 (3)
S4	0.0098 (5)	0.0049 (4)	0.0078 (5)	−0.0001 (4)	0.0027 (4)	−0.0001 (3)
O1	0.0184 (17)	0.0073 (14)	0.0088 (14)	−0.0032 (12)	0.0000 (12)	−0.0003 (11)
O2	0.0096 (15)	0.0157 (15)	0.0094 (14)	0.0016 (12)	−0.0011 (12)	−0.0001 (12)
O3	0.0138 (16)	0.0104 (14)	0.0098 (15)	−0.0032 (12)	0.0039 (12)	−0.0006 (11)
O4	0.0113 (16)	0.0096 (14)	0.0124 (15)	0.0063 (12)	0.0055 (12)	0.0024 (11)
O5	0.0096 (15)	0.0061 (14)	0.0167 (15)	0.0005 (11)	0.0039 (12)	0.0023 (11)
O6	0.0120 (15)	0.0061 (13)	0.0087 (14)	−0.0020 (11)	0.0041 (12)	−0.0003 (11)
O7	0.0135 (16)	0.0095 (14)	0.0080 (14)	−0.0014 (12)	0.0011 (12)	0.0000 (11)
O8	0.0132 (16)	0.0107 (14)	0.0115 (15)	0.0041 (12)	0.0041 (12)	0.0023 (11)
O9	0.0121 (16)	0.0045 (13)	0.0132 (15)	−0.0006 (11)	0.0030 (12)	−0.0010 (11)
O10	0.0111 (16)	0.0080 (14)	0.0093 (14)	0.0003 (11)	0.0048 (12)	−0.0014 (11)
O11	0.0084 (15)	0.0088 (14)	0.0107 (14)	0.0004 (11)	0.0018 (11)	0.0012 (11)
O12	0.0097 (15)	0.0103 (14)	0.0066 (14)	−0.0018 (11)	0.0004 (12)	0.0003 (11)
O13	0.0136 (16)	0.0070 (14)	0.0111 (15)	0.0022 (11)	0.0008 (12)	−0.0011 (11)
O14	0.0172 (17)	0.0125 (15)	0.0102 (14)	−0.0076 (12)	0.0032 (12)	0.0006 (12)
O15	0.0129 (16)	0.0146 (15)	0.0119 (15)	0.0036 (12)	0.0035 (12)	0.0033 (12)
O16	0.0172 (17)	0.0083 (14)	0.0098 (14)	0.0002 (12)	0.0050 (12)	0.0012 (11)
O17W	0.0121 (16)	0.0090 (14)	0.0139 (15)	0.0020 (12)	0.0033 (12)	−0.0013 (11)
O18W	0.0091 (15)	0.0082 (14)	0.0103 (14)	0.0000 (11)	0.0035 (11)	0.0014 (11)
O19W	0.0145 (16)	0.0095 (14)	0.0127 (14)	−0.0026 (12)	0.0065 (12)	0.0002 (11)
O20W	0.0117 (16)	0.0128 (15)	0.0121 (15)	−0.0006 (12)	0.0033 (12)	0.0013 (11)
O21W	0.0108 (15)	0.0098 (14)	0.0110 (14)	0.0012 (12)	0.0022 (12)	0.0014 (11)

Geometric parameters (Å, º)

Rb1—O8	2.918 (3)	Cd3—O12	2.342 (3)
Rb1—O20W^i	2.935 (3)	S1—O2	1.462 (3)
Rb1—O9	2.960 (3)	S1—O4	1.479 (3)
Rb1—O8^ii	2.962 (3)	S1—O3	1.480 (3)
Rb1—O13^iii	3.060 (3)	S1—O1	1.489 (3)
Rb1—O16^iv	3.072 (3)	S2—O8	1.455 (3)
Rb1—O6^ii	3.110 (3)	S2—O7	1.478 (3)
Rb1—O12	3.147 (3)	S2—O6	1.491 (3)
Rb1—O15^v	3.224 (3)	S2—O5	1.492 (3)
Rb1—O14^iii	3.430 (3)	S3—O10	1.466 (3)
Rb1—O14^v	3.538 (3)	S3—O11	1.473 (3)
Rb2—O15	2.777 (3)	S3—O9	1.478 (3)
Rb2—O6^iv	2.824 (3)	S3—O12	1.486 (3)
Rb2—O11^vi	2.886 (3)	S4—O15	1.455 (3)
Rb2—O10	2.992 (3)	S4—O16	1.480 (3)
Rb2—O7^vii	3.096 (3)	S4—O13	1.484 (3)
Rb2—O8^vii	3.097 (3)	S4—O14	1.491 (3)
Rb2—O4	3.127 (3)	O5—Rb2^vi	3.457 (3)
Rb2—O9^vi	3.131 (3)	O6—Cd1^v	2.218 (3)
Rb2—O19W^iv	3.205 (3)	O6—Rb2^vi	2.824 (3)
Rb2—O1	3.364 (3)	O6—Rb1^viii	3.110 (3)
Rb2—O5^iv	3.457 (3)	O7—Cd1^iv	2.295 (3)
Cd1—O6^vii	2.218 (3)	O7—Rb2^v	3.096 (3)
Cd1—O1	2.284 (3)	O8—Rb1^viii	2.962 (3)
Cd1—O9^vi	2.288 (3)	O8—Rb2^v	3.097 (3)
Cd1—O7^vi	2.295 (3)	O9—Cd1^iv	2.288 (3)
Cd1—O17W	2.304 (3)	O9—Rb2^iv	3.131 (3)
Cd1—O18W	2.342 (3)	O11—Cd2^iv	2.243 (3)
Cd2—O5	2.238 (3)	O11—Rb2^iv	2.886 (3)
Cd2—O11^vi	2.243 (3)	O13—Rb1^ix	3.060 (3)
Cd2—O4	2.277 (3)	O14—Cd3^ix	2.293 (3)
Cd2—O19W	2.278 (3)	O14—Rb1^ix	3.430 (3)
Cd2—O10	2.316 (3)	O14—Rb1^vii	3.538 (3)
Cd2—O18W^iv	2.316 (3)	O15—Rb1^vii	3.224 (3)
Cd3—O13	2.264 (3)	O16—Cd3^vi	2.265 (3)
Cd3—O16^iv	2.265 (3)	O16—Rb1^vi	3.072 (3)
Cd3—O14^iii	2.293 (3)	O18W—Cd2^vi	2.316 (3)
Cd3—O21W	2.304 (3)	O19W—Rb2^vi	3.205 (3)
Cd3—O20W	2.331 (3)	O20W—Rb1^i	2.935 (3)
O8—Rb1—O20W^i	128.16 (8)	O11^iv—Rb2—O1	125.32 (6)
O8—Rb1—O9	81.33 (8)	O10—Rb2—O1	99.12 (7)
O20W^i—Rb1—O9	138.18 (8)	O7^vii—Rb2—O1	58.01 (7)
O8—Rb1—O8^viii	17.12 (7)	O8^vii—Rb2—O1	93.98 (7)
O20W^i—Rb1—O8^vi	149.66 (6)	O4—Rb2—O1	43.36 (7)
O9—Rb1—O8^vi	65.49 (6)	O9^iv—Rb2—O1	122.60 (6)
O8—Rb1—O13^iii	108.13 (8)	O19W^vi—Rb2—O1	42.94 (5)
O20W^i—Rb1—O13^iii	59.27 (8)	O15—Rb2—O5^iv	63.82 (8)
O9—Rb1—O13^iii	147.75 (8)	O6^vi—Rb2—O5^iv	165.93 (5)
O8^viii—Rb1—O13^iii	91.62 (6)	O11^x—Rb2—O5^iv	146.64 (5)
O8—Rb1—O16^iv	153.10 (8)	O10—Rb2—O5^iv	74.88 (7)
O20W^i—Rb1—O16^iv	78.54 (8)	O7^vii—Rb2—O5^iv	104.35 (7)
O9—Rb1—O16^iv	78.23 (8)	O8^vii—Rb2—O5^iv	107.77 (7)
O13^iii—Rb1—O16^iv	81.45 (8)	O6^vii—Cd1—O1	111.23 (10)
O8—Rb1—O6^ii	71.05 (8)	O6^vii—Cd1—O9^vi	79.77 (10)
O20W^i—Rb1—O6^ii	101.00 (8)	O1—Cd1—O9^vi	91.50 (11)
O9—Rb1—O6^ii	56.81 (7)	O6^vii—Cd1—O7^vi	84.24 (10)
O13^ix—Rb1—O6^ii	132.00 (6)	O1—Cd1—O7^vi	163.49 (11)
O16^iv—Rb1—O6^ii	110.71 (8)	O9^vi—Cd1—O7^vi	97.15 (10)
O8—Rb1—O12	93.50 (8)	O6^vii—Cd1—O17W	96.25 (10)
O20W^i—Rb1—O12	136.96 (8)	O1—Cd1—O17W	95.09 (10)
O9—Rb1—O12	46.16 (7)	O9^vi—Cd1—O17W	173.21 (10)
O13^iii—Rb1—O12	101.76 (7)	O7^vi—Cd1—O17W	76.88 (10)
O16^vi—Rb1—O12	74.29 (6)	O6^vii—Cd1—O18W	159.62 (10)
O6^viii—Rb1—O12	90.54 (6)	O1—Cd1—O18W	87.33 (10)
O8—Rb1—O15^v	70.26 (8)	O9^vi—Cd1—O18W	91.79 (10)
O20W^i—Rb1—O15^v	60.28 (8)	O7^vi—Cd1—O18W	78.40 (10)
O9—Rb1—O15^v	122.48 (8)	O17W—Cd1—O18W	90.17 (10)
O8^viii—Rb1—O15^v	73.63 (6)	O5—Cd2—O11^vi	82.90 (10)
O13^iii—Rb1—O15^v	89.39 (8)	O5—Cd2—O4	169.23 (11)
O16^vi—Rb1—O15^v	95.85 (6)	O11^vi—Cd2—O4	90.98 (10)
O6^vi—Rb1—O15^v	122.97 (6)	O5—Cd2—O19W	87.17 (11)
O12—Rb1—O15^v	162.69 (8)	O11^vi—Cd2—O19W	111.29 (10)
O8—Rb1—O14^iii	114.18 (8)	O4—Cd2—O19W	103.35 (11)
O20W^i—Rb1—O14^iii	89.91 (8)	O5—Cd2—O10	92.77 (10)
O9—Rb1—O14^iii	104.85 (7)	O11^vi—Cd2—O10	79.28 (10)
O8^vi—Rb1—O14^v	114.39 (5)	O4—Cd2—O10	77.34 (10)
O13^iii—Rb1—O14^iii	42.95 (7)	O19W—Cd2—O10	169.31 (10)
O16^vi—Rb1—O14^v	79.67 (5)	O5—Cd2—O18W^iv	97.25 (10)
O6^viii—Rb1—O14^v	78.06 (5)	O11^vi—Cd2—O18W^iv	161.79 (10)
O12—Rb1—O14^iii	59.31 (7)	O4—Cd2—O18W^iv	85.80 (10)
O15^v—Rb1—O14^iii	132.16 (7)	O19W—Cd2—O18W^iv	86.87 (10)
O8—Rb1—O14^v	81.59 (8)	O10—Cd2—O18W^iv	82.52 (10)
O20W^i—Rb1—O14^v	51.31 (7)	O13—Cd3—O16^iv	155.82 (10)
O9—Rb1—O14^v	160.28 (7)	O13—Cd3—O14^iii	74.75 (10)
O8^viii—Rb1—O14^iii	99.13 (5)	O13—Cd3—O21W	98.58 (10)
O13^iii—Rb1—O14^v	48.92 (7)	O13—Cd3—O20W	88.28 (11)
O16^vi—Rb1—O14^iii	72.88 (5)	O14^ix—Cd3—O20W	59.07 (8)
O6^viii—Rb1—O14^iii	103.58 (5)	O21W—Cd3—O20W	75.87 (10)
O12—Rb1—O14^v	145.08 (7)	O13—Cd3—O12	83.37 (10)
O15^v—Rb1—O14^v	41.16 (7)	O16^vi—Cd3—O12	52.49 (8)
O14^iii—Rb1—O14^v	91.118 (17)	O14^ix—Cd3—O12	109.46 (8)
O15—Rb2—O6^iv	77.06 (8)	O21W—Cd3—O12	97.53 (10)
O15—Rb2—O11^vi	98.01 (8)	O20W—Cd3—O12	168.51 (10)
O6^vi—Rb2—O11^vi	62.59 (6)	O2—S1—O4	109.05 (17)
O15—Rb2—O10	91.76 (8)	O2—S1—O3	110.63 (18)
O6^vi—Rb2—O10	119.20 (6)	O4—S1—O3	109.42 (17)
O11^iv—Rb2—O10	59.88 (6)	O2—S1—O1	109.50 (17)
O15—Rb2—O7^vii	113.19 (8)	O4—S1—O1	108.45 (18)
O6^vi—Rb2—O7^vii	63.62 (6)	O3—S1—O1	109.75 (17)
O11^iv—Rb2—O7^vii	117.92 (6)	O8—S2—O7	111.07 (17)
O10—Rb2—O7^vii	152.18 (8)	O8—S2—O6	110.10 (17)
O15—Rb2—O8^vii	73.97 (8)	O7—S2—O6	107.47 (17)
O6^vi—Rb2—O8^vii	58.90 (6)	O8—S2—O5	109.88 (17)
O11^iv—Rb2—O8^vii	121.44 (6)	O7—S2—O5	110.32 (17)
O10—Rb2—O8^vii	161.55 (8)	O6—S2—O5	107.92 (16)
O7^vii—Rb2—O8^vii	45.97 (8)	O10—S3—O11	108.98 (16)
O15—Rb2—O4	147.51 (8)	O10—S3—O9	110.83 (17)
O6^vi—Rb2—O4	84.64 (6)	O11—S3—O9	109.53 (17)
O11^iv—Rb2—O4	95.73 (6)	O10—S3—O12	111.00 (17)
O10—Rb2—O4	55.89 (8)	O11—S3—O12	108.31 (17)
O7^vii—Rb2—O4	99.04 (7)	O9—S3—O12	108.14 (16)
O8^vii—Rb2—O4	136.67 (8)	O15—S4—O16	111.40 (18)
O15—Rb2—O9^vi	110.45 (8)	O15—S4—O13	111.13 (17)
O6^vi—Rb2—O9^vi	15.61 (6)	O16—S4—O13	107.71 (17)
O11^iv—Rb2—O9^vi	162.97 (6)	O15—S4—O14	108.77 (17)
O10—Rb2—O9^vi	104.51 (7)	O16—S4—O14	110.12 (17)
O7^v—Rb2—O9^vi	86.15 (6)	O13—S4—O14	107.64 (18)
O8^v—Rb2—O9^vi	84.78 (6)	S1—O1—Cd1	132.92 (17)
O4—Rb2—O9^vi	78.71 (8)	S1—O4—Cd2	128.89 (17)
O15—Rb2—O19W^iv	117.77 (8)	S2—O5—Cd2	130.24 (18)
O6^vi—Rb2—O19W^iv	129.50 (6)	S2—O6—Cd1^v	126.23 (16)
O11^iv—Rb2—O19W^iv	51.67 (6)	S2—O7—Cd1^iv	130.86 (17)
O10—Rb2—O19W^iv	61.41 (7)	S3—O9—Cd1^iv	139.71 (18)
O7^v—Rb2—O19W^iv	75.95 (5)	S3—O10—Cd2	131.66 (16)
O8^v—Rb2—O19W^iv	82.86 (5)	S3—O12—Cd3	128.64 (16)
O4—Rb2—O19W^iv	52.61 (7)	S4—O13—Cd3	127.23 (17)
O9^iv—Rb2—O19W^iv	52.40 (6)	S4—O14—Cd3^ix	139.22 (18)
O15—Rb2—O1	167.24 (8)	S4—O16—Cd3^vi	122.49 (17)
O6^vi—Rb2—O1	55.94 (6)	Cd2^vi—O18W—Cd1	114.72 (12)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O17W—H17B···O3^xi	0.82	1.95	2.755 (4)	166
O18W—H18A···O2^xi	0.82	1.82	2.627 (4)	168
O18W—H18B···O3	0.82	1.79	2.599 (4)	169
O19W—H19A···O4^vi	0.82	2.02	2.807 (4)	162
O19W—H19B···O17W^v	0.82	2.39	3.019 (4)	134
O20W—H20A···O21W^xii	0.82	2.36	3.123 (4)	154
O20W—H20B···O13^iv	0.82	2.38	2.966 (4)	129
O20W—H20B···O14^xii	0.82	2.09	2.855 (4)	154
O21W—H21A···O5^iv	0.82	2.02	2.773 (4)	153
O21W—H21A···O15	0.82	2.50	2.914 (4)	112
O21W—H21B···O12^iv	0.82	1.93	2.751 (4)	174

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