A supramolecular ladder in di­aqua(μ-8-hydroxy-7-iodo­quinoline-5-sulfonato-κ4N,O,O′,O′′)­cadmium(II) dihydrate

Francis, S.; Muthiah, P.T.; Butcher, R.J.

doi:10.1107/S1600536803027818

A supramolecular ladder in diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ⁴N,O,O′,O′′)cadmium(II) dihydrate

S. Francis, P. T. Muthiah and R. J. Butcher

In the title complex, {[Cd(C₉H₄INO₄S)(H₂O)₂]·2H₂O}_n, the Cd²⁺ ion has a distorted octahedral geometry, surrounded by two O atoms of sulfonate groups, N and O atoms of the oxine ring (bidentate chelation) and two water molecules. Inversion-related ligands, stacked over one another, form the rungs of the ladder whereas the O—Cd—O(sulfonate) bonds form the rails of the ladder. These supramolecular ladders are further cross-linked by O—H

O hydrogen bonds involving the water molecules and the sulfonate O atoms.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803027818/ci6309sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803027818/ci6309Isup2.hkl Contains datablock I

CCDC reference: 231820

checkCIF report

Key indicators

Single-crystal X-ray study
T = 93 K
Mean (C-C) = 0.010 Å
H-atom completeness 92%
R factor = 0.055
wR factor = 0.161
Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density ....       4.33

Alert level C
DIFMX01_ALERT_2_C  The maximum difference density is > 0.1*ZMAX*0.75
            _refine_diff_density_max given =      5.210
            Test value =      3.975
DIFMX02_ALERT_1_C  The minimum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............       5.21 e/A   3
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10
PLAT417_ALERT_2_C Short Inter D-H..H-D       H1W    ..  H2W      =       2.15 Ang.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C9 H12 Cd1 I1 N1 O8 S1
            Atom count from the _atom_site data:  C9 H11 Cd1 I1 N1 O8 S1
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  C9 H12 Cd I N O8 S
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C         18.00     18.00    0.00
           H         24.00     22.00    2.00
           Cd         2.00      2.00    0.00
           I          2.00      2.00    0.00
           N          2.00      2.00    0.00
           O         16.00     16.00    0.00
           S          2.00      2.00    0.00

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   6 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SMART; data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1997); software used to prepare material for publication: SHELXL97.

Diaqua(µ-8-hydroxy-7-iodoquinoline-5-sulfonato)cadmium(II) dihydrate top

Crystal data top

[Cd(C₉H₄INO₄S)(H₂O)₂]·2H₂O	Z = 2
M_r = 533.57	F(000) = 508
Triclinic, P1	D_x = 2.457 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.9220 (8) Å	Cell parameters from 2610 reflections
b = 10.1310 (12) Å	θ = 2.0–28.3°
c = 10.9630 (13) Å	µ = 3.84 mm⁻¹
α = 76.013 (2)°	T = 93 K
β = 74.869 (2)°	Needle, yellow
γ = 85.318 (2)°	0.24 × 0.04 × 0.04 mm
V = 720.00 (15) Å³

Data collection top

Bruker SMART CCD diffractometer	3385 independent reflections
Radiation source: fine-focus sealed tube	2753 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.022
ω scans	θ_max = 28.3°, θ_min = 2.0°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −9→9
T_min = 0.714, T_max = 0.858	k = −13→13
5418 measured reflections	l = −14→14

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)] = 0.055	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.161	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.122P)²]
3385 reflections	(Δ/σ)_max = 0.001
190 parameters	Δρ_max = 5.21 e Å⁻³
0 restraints	Δρ_min = −1.20 e Å⁻³

Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F² for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating -R-factor-obs 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
I	0.92758 (7)	−0.38238 (5)	0.81012 (5)	0.0161 (2)
Cd	0.80731 (7)	0.16284 (5)	0.64851 (5)	0.0086 (2)
S	0.7356 (2)	−0.23756 (17)	1.29838 (16)	0.0085 (4)
O1	0.8505 (7)	−0.1543 (5)	1.3457 (4)	0.0084 (12)
O1W	0.8520 (8)	0.3871 (5)	0.5834 (6)	0.0172 (16)
O2	0.5229 (7)	−0.2190 (6)	1.3565 (5)	0.0162 (14)
O2W	0.8210 (8)	0.1087 (6)	0.4584 (5)	0.0157 (14)
O3	0.8024 (7)	−0.3789 (5)	1.3201 (5)	0.0119 (12)
O4	0.8242 (7)	−0.0649 (5)	0.7281 (5)	0.0103 (12)
N	0.7292 (8)	0.1301 (6)	0.8704 (6)	0.0094 (17)
C2	0.6802 (10)	0.2264 (7)	0.9379 (7)	0.0120 (17)
C3	0.6589 (11)	0.1986 (7)	1.0725 (7)	0.0135 (19)
C4	0.6898 (10)	0.0691 (7)	1.1378 (7)	0.0118 (17)
C5	0.7733 (10)	−0.1776 (7)	1.1282 (7)	0.0114 (17)
C6	0.8231 (10)	−0.2719 (7)	1.0529 (7)	0.0098 (17)
C7	0.8428 (10)	−0.2332 (7)	0.9178 (7)	0.0116 (17)
C8	0.8107 (9)	−0.1009 (7)	0.8534 (7)	0.0091 (17)
C9	0.7419 (9)	−0.0371 (7)	1.0682 (6)	0.0075 (17)
C10	0.7584 (9)	−0.0008 (7)	0.9332 (7)	0.0085 (17)
O3W	0.5619 (8)	−0.1682 (5)	0.6086 (5)	0.0152 (16)
O4W	0.5338 (8)	0.5382 (6)	0.6706 (6)	0.0235 (19)
H1W	0.96100	0.39910	0.59360	0.0110*
H2	0.65960	0.31520	0.89430	0.0140*
H2W	0.82480	0.46390	0.54710	0.0110*
H3	0.62380	0.26800	1.11690	0.0160*
H3W	0.74270	0.14460	0.41630	0.0110*
H4	0.67710	0.04970	1.22680	0.0140*
H4W	0.92360	0.10890	0.40040	0.0110*
H6	0.84410	−0.36250	1.09160	0.0110*
H5W	0.64020	−0.21190	0.64990	0.0110*
H6W	0.64430	−0.11820	0.55180	0.0110*
H7W	0.42380	0.51990	0.66690	0.0110*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
I	0.0266 (3)	0.0100 (3)	0.0130 (3)	0.0044 (2)	−0.0062 (2)	−0.0054 (2)
Cd	0.0090 (3)	0.0075 (3)	0.0086 (3)	0.0002 (2)	−0.0017 (2)	−0.0014 (2)
S	0.0081 (7)	0.0094 (8)	0.0081 (8)	0.0008 (6)	−0.0019 (6)	−0.0026 (6)
O1	0.019 (2)	0.003 (2)	0.003 (2)	0.0005 (18)	−0.0027 (18)	−0.0007 (17)
O1W	0.014 (2)	0.010 (3)	0.027 (3)	0.000 (2)	−0.009 (2)	0.001 (2)
O2	0.005 (2)	0.032 (3)	0.009 (2)	0.003 (2)	−0.0007 (19)	−0.002 (2)
O2W	0.015 (2)	0.022 (3)	0.008 (2)	0.002 (2)	0.0004 (19)	−0.004 (2)
O3	0.015 (2)	0.009 (2)	0.012 (2)	0.0012 (19)	−0.004 (2)	−0.003 (2)
O4	0.016 (2)	0.007 (2)	0.007 (2)	−0.0015 (19)	−0.0030 (19)	0.0007 (18)
N	0.009 (3)	0.007 (3)	0.012 (3)	−0.001 (2)	−0.001 (2)	−0.003 (2)
C2	0.013 (3)	0.011 (3)	0.012 (3)	−0.002 (3)	−0.003 (3)	−0.002 (3)
C3	0.013 (3)	0.011 (3)	0.018 (4)	−0.001 (3)	−0.001 (3)	−0.009 (3)
C4	0.009 (3)	0.010 (3)	0.015 (3)	0.001 (2)	−0.001 (3)	−0.003 (3)
C5	0.011 (3)	0.011 (3)	0.012 (3)	−0.001 (3)	−0.004 (3)	−0.001 (3)
C6	0.012 (3)	0.008 (3)	0.009 (3)	0.000 (2)	−0.002 (3)	−0.002 (3)
C7	0.008 (3)	0.013 (3)	0.015 (3)	0.001 (2)	−0.001 (3)	−0.008 (3)
C8	0.008 (3)	0.008 (3)	0.012 (3)	0.002 (2)	−0.001 (2)	−0.006 (3)
C9	0.005 (3)	0.013 (3)	0.007 (3)	0.002 (2)	−0.002 (2)	−0.007 (3)
C10	0.004 (3)	0.011 (3)	0.009 (3)	0.000 (2)	−0.001 (2)	0.000 (3)
O3W	0.017 (3)	0.018 (3)	0.011 (2)	−0.002 (2)	−0.003 (2)	−0.004 (2)
O4W	0.017 (3)	0.020 (3)	0.035 (4)	−0.001 (2)	−0.008 (3)	−0.007 (3)

Geometric parameters (Å, º) top

Cd—O1W	2.232 (5)	O4W—H7W	0.8115
Cd—O2W	2.257 (5)	N—C10	1.364 (10)
Cd—O4	2.266 (5)	N—C2	1.334 (10)
Cd—N	2.296 (6)	C2—C3	1.404 (10)
Cd—O1ⁱ	2.380 (5)	C3—C4	1.364 (10)
Cd—O2ⁱⁱ	2.321 (5)	C4—C9	1.435 (10)
S—O1	1.466 (5)	C5—C9	1.441 (10)
S—O2	1.460 (5)	C5—C6	1.375 (10)
S—O3	1.451 (5)	C6—C7	1.410 (10)
S—C5	1.773 (7)	C7—C8	1.386 (10)
O4—C8	1.313 (9)	C8—C10	1.459 (10)
O1W—H1W	0.8137	C9—C10	1.412 (9)
O1W—H2W	0.8153	C2—H2	0.9300
O2W—H4W	0.8201	C3—H3	0.9307
O2W—H3W	0.8101	C4—H4	0.9294
O3W—H5W	0.8287	C6—H6	0.9305
O3W—H6W	0.8240

I···O4	3.198 (5)	N···C9ⁱⁱ	3.320 (9)
I···O4Wⁱⁱⁱ	3.680 (6)	C2···C6ⁱⁱ	3.455 (10)
I···O2W^iv	3.681 (6)	C2···C5ⁱⁱ	3.498 (10)
I···O3^v	3.304 (5)	C2···C7ⁱⁱ	3.555 (10)
I···H5W	3.1340	C2···C6ⁱ	3.536 (10)
I···H4W^iv	3.1934	C3···C7ⁱⁱ	3.438 (11)
I···H6^v	3.0356	C3···C8ⁱⁱ	3.311 (10)
Cd···O3W	4.044 (5)	C3···C7ⁱ	3.527 (11)
Cd···O4W	4.139 (6)	C3···O3Wⁱⁱ	3.379 (9)
Cd···C9ⁱⁱ	4.294 (6)	C3···C6ⁱ	3.559 (11)
Cd···O2W^iv	3.793 (6)	C4···Cdⁱⁱ	4.159 (7)
Cd···C4ⁱⁱ	4.159 (7)	C4···O3Wⁱⁱ	3.211 (9)
Cd···H6W	3.6211	C4···O2	3.365 (9)
Cd···H4ⁱⁱ	3.8873	C4···O1	3.158 (9)
Cd···H4W^iv	3.2697	C4···C8ⁱⁱ	3.431 (10)
S···O3W^vi	3.520 (5)	C4···C8ⁱ	3.527 (10)
S···H4	2.8493	C4···C10ⁱⁱ	3.547 (10)
S···H6W^vi	3.1880	C5···C2ⁱⁱ	3.498 (10)
S···H1Wⁱ	2.8795	C6···C2ⁱⁱ	3.455 (10)
S···H7Wⁱⁱ	3.0518	C6···C2ⁱ	3.536 (10)
O1···O2W^vi	3.168 (8)	C6···C3ⁱ	3.559 (11)
O1···O3W^vi	3.027 (7)	C7···C3ⁱⁱ	3.438 (11)
O1···C4	3.158 (9)	C7···C3ⁱ	3.527 (11)
O1W···O1W^vii	3.092 (8)	C7···C2ⁱⁱ	3.555 (10)
O1W···O3ⁱ	2.845 (8)	C8···C4ⁱⁱ	3.431 (10)
O1W···O4W	2.677 (8)	C8···C4ⁱ	3.527 (10)
O2···O3W^vi	3.013 (7)	C8···C3ⁱⁱ	3.311 (10)
O2···C4	3.365 (9)	C9···C10ⁱ	3.507 (9)
O2W···O4^iv	2.837 (8)	C9···Cdⁱⁱ	4.294 (6)
O2W···I^iv	3.681 (6)	C9···C10ⁱⁱ	3.457 (9)
O2W···O3W^viii	2.910 (8)	C9···Nⁱⁱ	3.320 (9)
O2W···O1^ix	3.168 (8)	C9···C9ⁱ	3.560 (9)
O2W···Cd^iv	3.793 (6)	C10···C4ⁱⁱ	3.547 (10)
O3···I^v	3.304 (5)	C10···C9ⁱ	3.507 (9)
O3···O4Wⁱⁱ	2.905 (8)	C10···C9ⁱⁱ	3.457 (9)
O3···O1Wⁱ	2.845 (8)	C10···C10ⁱⁱ	3.494 (9)
O3W···O4Wⁱⁱⁱ	2.897 (8)	C8···H4W^iv	2.9231
O3W···O2^ix	3.013 (7)	H1W···H2W^vii	2.1474
O3W···O4	2.885 (8)	H1W···H1W^vii	2.5013
O3W···Cd	4.044 (5)	H1W···Sⁱ	2.8795
O3W···C4ⁱⁱ	3.211 (9)	H1W···O3ⁱ	2.0688
O3W···O2W^viii	2.910 (8)	H1W···O1W^vii	2.6921
O3W···O1^ix	3.027 (7)	H2W···O4W	2.2975
O3W···S^ix	3.520 (5)	H2W···O1W^vii	2.6771
O3W···C3ⁱⁱ	3.379 (9)	H2W···O3^xii	2.6456
O4···O2W^iv	2.837 (8)	H2W···H1W^vii	2.1474
O4···O3W	2.885 (8)	H2W···H2W^vii	2.4700
O4···I	3.198 (5)	H3···O3Wⁱⁱ	2.9074
O4W···O3W^x	2.897 (8)	H3W···O3W^viii	2.1826
O4W···Cd	4.139 (6)	H4···O1	2.5536
O4W···I^x	3.680 (6)	H4···O2	2.8952
O4W···O1W	2.677 (8)	H4···S	2.8493
O4W···O3ⁱⁱ	2.905 (8)	H4···O3Wⁱⁱ	2.5688
O1···H6W^vi	2.4304	H4···Cdⁱⁱ	3.8873
O1···H4	2.5536	H4W···Cd^iv	3.2697
O1W···H2W^vii	2.6771	H4W···O4^iv	2.0306
O1W···H1W^vii	2.6921	H4W···I^iv	3.1934
O2···H6W^vi	2.9103	H4W···C8^iv	2.9231
O2···H4	2.8952	H5W···I	3.1340
O2W···H6W	2.5487	H5W···O4Wⁱⁱⁱ	2.6350
O3···H7Wⁱⁱ	2.1593	H5W···O4	2.4641
O3···H1Wⁱ	2.0688	H6···O3	2.4115
O3···H6	2.4115	H6···I^v	3.0356
O3···H2W^xi	2.6456	H6W···Cd	3.6211
O3W···H3W^viii	2.1826	H6W···S^ix	3.1880
O3W···H4ⁱⁱ	2.5688	H6W···O1^ix	2.4304
O3W···H3ⁱⁱ	2.9074	H6W···O2^ix	2.9103
O4···H4W^iv	2.0306	H6W···O2W	2.5487
O4···H5W	2.4641	H6W···O4	2.7292
O4···H6W	2.7292	H7W···Sⁱⁱ	3.0518
O4W···H2W	2.2975	H7W···O3ⁱⁱ	2.1593
O4W···H5W^x	2.6350

O1W—Cd—O2W	101.0 (2)	Cd—O2W—H4W	124.21
O1W—Cd—O4	167.6 (2)	H3W—O2W—H4W	100.53
O1W—Cd—N	102.1 (2)	H5W—O3W—H6W	97.90
O1ⁱ—Cd—O1W	84.15 (19)	Cd—N—C2	126.5 (5)
O1W—Cd—O2ⁱⁱ	84.4 (2)	Cd—N—C10	113.6 (5)
O2W—Cd—O4	85.1 (2)	C2—N—C10	119.5 (6)
O2W—Cd—N	155.6 (2)	N—C2—C3	122.3 (7)
O1ⁱ—Cd—O2W	103.12 (18)	C2—C3—C4	119.5 (7)
O2ⁱⁱ—Cd—O2W	82.8 (2)	C3—C4—C9	119.6 (6)
O4—Cd—N	73.8 (2)	C6—C5—C9	119.6 (6)
O1ⁱ—Cd—O4	83.90 (18)	S—C5—C6	117.7 (6)
O2ⁱⁱ—Cd—O4	107.3 (2)	S—C5—C9	122.6 (5)
O1ⁱ—Cd—N	87.05 (18)	C5—C6—C7	120.9 (7)
O2ⁱⁱ—Cd—N	91.66 (19)	C6—C7—C8	122.9 (7)
O1ⁱ—Cd—O2ⁱⁱ	167.9 (2)	I—C7—C6	118.3 (5)
Cdⁱ—O1—S	132.1 (3)	I—C7—C8	118.8 (5)
Cdⁱⁱ—O2—S	154.5 (3)	O4—C8—C7	123.2 (7)
Cd—O4—C8	114.2 (4)	O4—C8—C10	120.7 (6)
Cd—N—C2	126.5 (5)	C7—C8—C10	116.1 (6)
Cd—N—C10	113.6 (5)	C4—C9—C5	124.0 (6)
O1—S—O2	108.6 (3)	C4—C9—C10	117.3 (6)
O1—S—O3	112.0 (3)	C5—C9—C10	118.6 (6)
O1—S—C5	109.0 (3)	N—C10—C8	116.6 (6)
O2—S—O3	113.5 (3)	N—C10—C9	121.7 (7)
O2—S—C5	107.0 (3)	C8—C10—C9	121.7 (6)
O3—S—C5	106.5 (3)	N—C2—H2	118.88
Cdⁱ—O1—S	132.1 (3)	C3—C2—H2	118.77
Cdⁱⁱ—O2—S	154.5 (3)	C4—C3—H3	120.21
Cd—O4—C8	114.2 (4)	C2—C3—H3	120.27
Cd—O1W—H1W	105.38	C3—C4—H4	120.24
Cd—O1W—H2W	153.48	C9—C4—H4	120.20
H1W—O1W—H2W	100.46	C5—C6—H6	119.57
Cd—O2W—H3W	119.47	C7—C6—H6	119.51

O2W—Cd—O4—C8	−176.5 (5)	O1—S—O2—Cdⁱⁱ	123.5 (8)
N—Cd—O4—C8	−8.9 (4)	O3—S—O2—Cdⁱⁱ	−111.3 (9)
O1ⁱ—Cd—O4—C8	79.7 (4)	O2—S—C5—C6	−111.7 (6)
O2ⁱⁱ—Cd—O4—C8	−95.6 (5)	O2—S—C5—C9	64.4 (7)
O1W—Cd—N—C2	13.3 (6)	O3—S—C5—C6	9.9 (7)
O1W—Cd—N—C10	−159.6 (5)	O3—S—C5—C9	−174.0 (6)
O2W—Cd—N—C2	−147.5 (6)	O2—S—O1—Cdⁱ	161.1 (3)
O2W—Cd—N—C10	39.6 (8)	O1—S—C5—C6	130.9 (6)
O4—Cd—N—C2	−178.8 (6)	O1—S—C5—C9	−53.0 (7)
O4—Cd—N—C10	8.3 (4)	Cd—O4—C8—C7	−171.6 (5)
O1ⁱ—Cd—N—C2	96.7 (6)	Cd—O4—C8—C10	8.9 (8)
O1ⁱ—Cd—N—C10	−76.2 (5)	Cd—N—C10—C8	−6.8 (7)
O2ⁱⁱ—Cd—N—C2	−71.3 (6)	Cd—N—C10—C9	172.2 (5)
O2ⁱⁱ—Cd—N—C10	115.8 (5)	C10—N—C2—C3	0.6 (11)
O1W—Cd—O1ⁱ—Sⁱ	42.9 (4)	C2—N—C10—C9	−1.2 (10)
O2W—Cd—O1ⁱ—Sⁱ	142.9 (4)	C2—N—C10—C8	179.7 (6)
O4—Cd—O1ⁱ—Sⁱ	−133.6 (4)	Cd—N—C2—C3	−171.9 (5)
N—Cd—O1ⁱ—Sⁱ	−59.6 (4)	Cd—N—C2—H2	7.97
O1W—Cd—O2ⁱⁱ—Sⁱⁱ	−106.5 (9)	C10—N—C2—H2	−179.51
O2W—Cd—O2ⁱⁱ—Sⁱⁱ	151.6 (9)	N—C2—C3—C4	0.3 (11)
O4—Cd—O2ⁱⁱ—Sⁱⁱ	69.1 (9)	C2—C3—C4—C9	−0.5 (11)
N—Cd—O2ⁱⁱ—Sⁱⁱ	−4.5 (9)	C3—C4—C9—C5	−178.6 (7)
N—Cd—O1W—H1W	75.94	C3—C4—C9—C10	−0.1 (10)
N—Cd—O1W—H2W	−117.40	C9—C5—C6—C7	−0.4 (11)
O1ⁱ—Cd—O1W—H1W	−9.76	S—C5—C9—C4	4.0 (10)
O1ⁱ—Cd—O1W—H2W	156.90	S—C5—C9—C10	−174.5 (5)
O2ⁱⁱ—Cd—O1W—H1W	166.44	S—C5—C6—C7	175.9 (6)
O2ⁱⁱ—Cd—O1W—H2W	−26.91	C6—C5—C9—C4	−179.9 (7)
O1W—Cd—O2W—H3W	−58.22	C6—C5—C9—C10	1.6 (10)
O1W—Cd—O2W—H4W	71.43	C5—C6—C7—C8	−1.1 (11)
O4—Cd—O2W—H3W	132.74	C5—C6—C7—I	178.2 (5)
O4—Cd—O2W—H4W	−97.61	C6—C7—C8—O4	−178.3 (7)
N—Cd—O2W—H3W	102.65	C6—C7—C8—C10	1.2 (10)
N—Cd—O2W—H4W	−127.70	I—C7—C8—C10	−178.0 (5)
O1ⁱ—Cd—O2W—H3W	−144.70	I—C7—C8—O4	2.4 (9)
O2W—Cd—O1W—H1W	−112.03	O4—C8—C10—N	−1.3 (9)
O2W—Cd—O1W—H2W	54.63	C7—C8—C10—N	179.1 (6)
O2ⁱⁱ—Cd—O2W—H4W	154.24	C7—C8—C10—C9	0.1 (10)
O2ⁱⁱ—Cd—O2W—H3W	24.59	O4—C8—C10—C9	179.7 (6)
O1ⁱ—Cd—O2W—H4W	−15.05	C5—C9—C10—N	179.5 (6)
C5—S—O1—Cdⁱ	−82.6 (4)	C5—C9—C10—C8	−1.5 (10)
O3—S—O1—Cdⁱ	35.0 (4)	C4—C9—C10—N	1.0 (10)
C5—S—O2—Cdⁱⁱ	5.9 (10)	C4—C9—C10—C8	180.0 (6)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W···O3ⁱ	0.81	2.07	2.845 (8)	160
O1W—H2W···O4W	0.82	2.30	2.677 (8)	109
O2W—H3W···O3W^viii	0.81	2.18	2.910 (8)	150
O2W—H4W···O4^iv	0.82	2.03	2.837 (8)	168
O3W—H5W···O4	0.83	2.46	2.885 (8)	113
O3W—H6W···O1^ix	0.82	2.43	3.027 (7)	130
O3W—H6W···O2W	0.82	2.55	3.293 (8)	151
O4W—H7W···O3ⁱⁱ	0.81	2.16	2.905 (8)	153
C4—H4···O1	0.93	2.55	3.158 (9)	123
C4—H4···O3Wⁱⁱ	0.93	2.57	3.211 (9)	127
C6—H6···O3	0.93	2.41	2.837 (9)	108

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

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A supramolecular ladder in di­aqua(μ-8-hydroxy-7-iodo­quinoline-5-sulfonato-κ4N,O,O′,O′′)­cadmium(II) dihydrate

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Key indicators

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A supramolecular ladder in diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ⁴N,O,O′,O′′)cadmium(II) dihydrate