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In the title complex, {[Cu(C9H4INO4S)(H2O)2]·4H2O}n, the coordination geometry around copper is distorted octa­hedral, the Cu atom being surrounded by two O atoms of the sulfonate group, N and O atoms of the oxine moiety (bidentate chelation) and two water mol­ecules. The O atoms of the sulfonate group bridge the Cu atoms, leading to a polymeric ladder network. The copper ions and the sulfonate groups constitute the rails of the ladder and the oxine motifs act as the rungs. Channels of water mol­ecules are present between these ladders.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803024589/cv6246sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803024589/cv6246Isup2.hkl
Contains datablock I

CCDC reference: 209380

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.041
  • wR factor = 0.090
  • Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.92
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 28.20 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 3625 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 3953 Completeness (_total/calc) 91.70% RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.143 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.14 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 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: SHELXS97 (Sheldrick, 1997); 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-κ4N,O,O',O'')copper(II) tetrahydrate top
Crystal data top
[Cu(C9H4INO4S)(H2O)2]·4H2OF(000) = 1020
Mr = 520.75Dx = 2.153 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71069 Å
Hall symbol: -P 2ybcCell parameters from 14839 reflections
a = 7.321 (2) Åθ = 1.8–28.2°
b = 9.682 (3) ŵ = 3.46 mm1
c = 22.817 (3) ÅT = 293 K
β = 96.54 (2)°Thin-Plate, green
V = 1606.8 (7) Å30.34 × 0.25 × 0.15 mm
Z = 4
Data collection top
Bruker SMART with CCD
diffractometer
3625 independent reflections
Radiation source: fine-focus sealed tube2847 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.143
ω–2θ scansθmax = 28.2°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 99
Tmin = 0.367, Tmax = 0.594k = 1212
14839 measured reflectionsl = 2929
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.041Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.090H-atom parameters constrained
S = 1.07 w = 1/[s2(Fo2) + (0.0391P)2]
3625 reflections(Δ/σ)max = 0.001
208 parametersΔρmax = 0.75 e Å3
0 restraintsΔρmin = 1.60 e Å3
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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
I0.65856 (4)0.41155 (2)0.09617 (1)0.0376 (1)
Cu0.88551 (7)0.08434 (4)0.14709 (2)0.0248 (2)
S0.59483 (13)0.15508 (8)0.13030 (4)0.0238 (3)
O10.4452 (4)0.0596 (3)0.14827 (12)0.0332 (9)
O1W0.9348 (4)0.0282 (3)0.22977 (11)0.0319 (9)
O20.5429 (4)0.2996 (2)0.13827 (12)0.0320 (9)
O2W0.8929 (4)0.2803 (2)0.16990 (13)0.0340 (9)
O30.7583 (4)0.1209 (3)0.15911 (12)0.0317 (9)
O40.8518 (4)0.1109 (2)0.12523 (11)0.0269 (8)
N10.8515 (4)0.1149 (3)0.06065 (14)0.0232 (9)
C20.8629 (5)0.2304 (3)0.02964 (18)0.0284 (11)
C30.8103 (5)0.2350 (3)0.03078 (17)0.0277 (11)
C40.7409 (6)0.1189 (3)0.06010 (17)0.0283 (11)
C50.6578 (5)0.1344 (3)0.05364 (15)0.0232 (11)
C60.6440 (5)0.2470 (3)0.01727 (17)0.0257 (11)
C70.7020 (5)0.2403 (3)0.04399 (16)0.0235 (11)
C80.7814 (5)0.1223 (3)0.06933 (16)0.0213 (10)
C90.7276 (5)0.0060 (3)0.02887 (15)0.0215 (11)
C100.7861 (5)0.0031 (3)0.03196 (16)0.0223 (10)
O3W0.8883 (4)0.2100 (3)0.31770 (13)0.0402 (10)
O4W1.1320 (4)0.4534 (3)0.12729 (14)0.0447 (10)
O5W0.6697 (5)0.3983 (3)0.25235 (17)0.0538 (11)
O6W0.7048 (5)0.1894 (3)0.23890 (13)0.0447 (11)
H1W0.912400.087600.252200.0540*
H20.907300.310200.049000.0340*
H2W0.866200.033800.234300.0540*
H30.822000.316700.051400.0330*
H3W0.955200.339600.156300.0540*
H40.702800.122600.100400.0340*
H4W0.814000.317700.185900.0540*
H60.595500.329100.033400.0310*
H5W0.816200.260300.300800.0540*
H6W0.963500.263700.333900.0540*
H7W1.141200.530600.140800.0540*
H8W1.233100.418800.134600.0540*
H9W0.563700.389900.258900.0540*
H10W0.697500.470400.276400.0540*
H11W0.733200.250400.262200.0540*
H12W0.682700.223400.206400.0540*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
I0.0491 (2)0.0253 (1)0.0373 (2)0.0046 (1)0.0002 (1)0.0090 (1)
Cu0.0339 (3)0.0202 (2)0.0198 (3)0.0007 (2)0.0012 (2)0.0007 (2)
S0.0239 (5)0.0264 (4)0.0212 (5)0.0001 (4)0.0028 (4)0.0024 (3)
O10.0266 (16)0.0408 (14)0.0312 (17)0.0061 (12)0.0009 (12)0.0045 (12)
O1W0.0443 (17)0.0287 (13)0.0229 (16)0.0026 (12)0.0043 (12)0.0016 (10)
O20.0417 (17)0.0279 (12)0.0253 (16)0.0029 (12)0.0011 (12)0.0039 (10)
O2W0.0376 (17)0.0260 (12)0.0405 (18)0.0026 (11)0.0130 (13)0.0061 (11)
O30.0274 (15)0.0404 (14)0.0287 (16)0.0019 (12)0.0094 (12)0.0018 (11)
O40.0349 (16)0.0221 (11)0.0229 (16)0.0022 (10)0.0007 (12)0.0004 (10)
N10.0217 (16)0.0225 (13)0.0257 (18)0.0007 (12)0.0037 (13)0.0026 (11)
C20.030 (2)0.0211 (15)0.035 (2)0.0047 (15)0.0079 (17)0.0000 (15)
C30.033 (2)0.0238 (16)0.026 (2)0.0018 (15)0.0023 (16)0.0077 (15)
C40.035 (2)0.0281 (17)0.023 (2)0.0010 (15)0.0089 (17)0.0039 (14)
C50.029 (2)0.0250 (16)0.0152 (19)0.0011 (15)0.0008 (15)0.0010 (13)
C60.024 (2)0.0231 (16)0.030 (2)0.0015 (15)0.0036 (16)0.0013 (15)
C70.025 (2)0.0212 (15)0.024 (2)0.0013 (14)0.0018 (16)0.0051 (14)
C80.0237 (19)0.0218 (15)0.0185 (19)0.0042 (14)0.0023 (15)0.0009 (13)
C90.0208 (19)0.0239 (16)0.020 (2)0.0010 (13)0.0037 (15)0.0016 (13)
C100.0214 (19)0.0231 (15)0.023 (2)0.0010 (14)0.0051 (15)0.0008 (14)
O3W0.0456 (19)0.0332 (14)0.0408 (19)0.0072 (13)0.0007 (14)0.0054 (12)
O4W0.0420 (19)0.0333 (14)0.060 (2)0.0019 (13)0.0106 (16)0.0049 (14)
O5W0.043 (2)0.0561 (19)0.062 (2)0.0028 (15)0.0051 (17)0.0253 (16)
O6W0.054 (2)0.0479 (17)0.0324 (18)0.0062 (15)0.0060 (15)0.0051 (13)
Geometric parameters (Å, º) top
I—C72.087 (3)O5W—H10W0.8969
Cu—O1W1.957 (3)O5W—H9W0.8109
Cu—O2W1.966 (2)O6W—H11W0.8059
Cu—O41.963 (2)O6W—H12W0.8106
Cu—N11.982 (3)N1—C101.375 (4)
Cu—O1i2.436 (3)N1—C21.331 (4)
Cu—O3ii2.615 (3)C2—C31.389 (6)
S—O11.456 (3)C3—C41.375 (5)
S—O21.456 (2)C4—C91.413 (4)
S—O31.467 (3)C5—C91.435 (4)
S—C51.769 (4)C5—C61.381 (5)
O4—C81.325 (4)C6—C71.415 (5)
O1W—H1W0.7992C7—C81.379 (4)
O1W—H2W0.7969C8—C101.438 (5)
O2W—H4W0.8038C9—C101.405 (5)
O2W—H3W0.8162C2—H20.9301
O3W—H5W0.7862C3—H30.9293
O3W—H6W0.8147C4—H40.9307
O4W—H8W0.8122C6—H60.9293
O4W—H7W0.8084
I···O43.271 (2)O6W···H2W1.9249
I···O4Wiii3.697 (3)N1···C9ii3.412 (5)
I···O2iv3.353 (3)C3···C8ii3.391 (5)
I···H12W3.0943C4···C7i3.507 (6)
I···H6iv3.3480C4···Cuii4.066 (4)
Cu···O6W3.714 (3)C4···O13.275 (5)
Cu···C9ii4.197 (4)C4···C8ii3.528 (6)
Cu···O3Wv4.027 (3)C4···O33.252 (5)
Cu···O2i3.752 (3)C5···C10i3.598 (5)
Cu···C4ii4.066 (4)C7···C4i3.507 (6)
Cu···H11Wvi3.6496C8···C3ii3.391 (5)
Cu···H6Wv3.3073C8···C4ii3.528 (6)
Cu···H10Wv3.5171C9···C10ii3.570 (5)
Cu···H12W3.6567C9···Cuii4.197 (4)
S···O6Wvii3.517 (3)C9···N1ii3.412 (5)
S···O4Wii3.509 (3)C10···C9ii3.570 (5)
S···H8Wii2.8538C10···C5i3.598 (5)
S···H42.8628C2···H3W3.0792
S···H10Wviii2.9425C8···H6Wv2.9397
S···H11Wvii2.9062H1W···H7Wv2.5763
O1···C43.275 (5)H1W···H5W2.1678
O1W···O3W2.719 (4)H1W···O3W1.9311
O1W···O6W2.720 (4)H1W···H6W2.5225
O1W···O5Wv3.141 (5)H2···H3W2.4500
O2···O5Wi3.031 (5)H2···O4W2.6740
O2···O6Wvii3.167 (4)H2···O2W2.7876
O2···Cui3.752 (3)H2W···O6W1.9249
O2···O2Wi3.195 (4)H2W···H11W2.4274
O2···Iiv3.353 (3)H2W···H12W2.3206
O2···O4Wii2.794 (4)H3···O4Wxiv2.8634
O2W···O2i3.195 (4)H3···H7Wxiv2.5582
O2W···O4W2.684 (4)H3W···H22.4500
O2W···O5W2.866 (5)H3W···H8W2.2808
O3···C43.252 (5)H3W···H7W2.3471
O3···O6Wvii2.955 (4)H3W···O4W1.8769
O3···O5Wviii2.975 (5)H3W···C23.0792
O3W···O4Wv2.795 (4)H4···O32.7644
O3W···Cuvi4.027 (3)H4···S2.8628
O3W···O1W2.719 (4)H4···O12.7189
O3W···O5W2.750 (5)H4W···O5W2.0949
O3W···O4vi2.785 (4)H4W···O2i2.7188
O4···O3Wv2.785 (4)H5W···H7Wv2.5931
O4···I3.271 (2)H5W···O5W1.9717
O4···O6W3.016 (4)H5W···H9W2.3459
O4W···O2ii2.794 (4)H5W···H10W2.2567
O4W···O3Wvi2.795 (4)H5W···H1W2.1678
O4W···Iix3.697 (3)H6···Iiv3.3480
O4W···O2W2.684 (4)H6···O22.3970
O4W···Sii3.509 (3)H6W···O4vi1.9710
O5W···O6Wx2.899 (5)H6W···Cuvi3.3073
O5W···O2i3.031 (5)H6W···H1W2.5225
O5W···O3xi2.975 (5)H6W···C8vi2.9397
O5W···O2W2.866 (5)H6W···H7Wv2.4729
O5W···O3W2.750 (5)H7W···H3xiv2.5582
O5W···O1Wvi3.141 (5)H7W···H1Wvi2.5763
O6W···O2xii3.167 (4)H7W···H5Wvi2.5931
O6W···O5Wxiii2.899 (5)H7W···O3Wvi2.0017
O6W···Sxii3.517 (3)H7W···H3W2.3471
O6W···O43.016 (4)H7W···H6Wvi2.4729
O6W···Cu3.714 (3)H8W···O2ii1.9992
O6W···O1W2.720 (4)H8W···Sii2.8538
O6W···O3xii2.955 (4)H8W···H3W2.2808
O1···H9Wviii2.8909H9W···H5W2.3459
O1···H42.7189H9W···H11Wx2.5619
O1···H10Wviii2.7991H9W···H12Wx2.3259
O1W···H10Wv2.7687H9W···O6Wx2.1162
O2···H11Wvii2.8378H9W···O1xi2.8909
O2···H4Wi2.7188H9W···O2i2.9086
O2···H62.3970H10W···Cuvi3.5171
O2···H8Wii1.9992H10W···O1Wvi2.7687
O2···H9Wi2.9086H10W···O1xi2.7991
O2W···H22.7876H10W···O3xi2.0826
O3···H11Wvii2.1760H10W···Sxi2.9425
O3···H10Wviii2.0826H10W···H5W2.2567
O3···H42.7644H11W···H2W2.4274
O3W···H1W1.9311H11W···Cuv3.6496
O3W···H7Wv2.0017H11W···H9Wxiii2.5619
O4···H12W2.5829H11W···Sxii2.9062
O4···H6Wv1.9710H11W···O2xii2.8378
O4W···H3W1.8769H11W···O3xii2.1760
O4W···H22.6740H12W···I3.0943
O4W···H3xiv2.8634H12W···Cu3.6567
O5W···H5W1.9717H12W···O42.5829
O5W···H4W2.0949H12W···H2W2.3206
O6W···H9Wxiii2.1162H12W···H9Wxiii2.3259
O1W—Cu—O2W90.94 (12)H9W—O5W—H10W96.92
O1W—Cu—O488.94 (11)H11W—O6W—H12W108.39
O1W—Cu—N1171.62 (12)Cu—N1—C2130.2 (3)
O1i—Cu—O1W92.09 (11)C2—N1—C10119.0 (3)
O1W—Cu—O3ii82.20 (11)Cu—N1—C10110.3 (2)
O2W—Cu—O4174.27 (13)N1—C2—C3121.8 (3)
O2W—Cu—N196.66 (12)C2—C3—C4120.1 (3)
O1i—Cu—O2W95.13 (11)C3—C4—C9119.8 (3)
O2W—Cu—O3ii81.06 (11)C6—C5—C9119.6 (3)
O4—Cu—N183.86 (11)S—C5—C9121.9 (2)
O1i—Cu—O479.15 (11)S—C5—C6118.4 (2)
O3ii—Cu—O4104.59 (11)C5—C6—C7121.5 (3)
O1i—Cu—N190.76 (11)C6—C7—C8121.1 (3)
O3ii—Cu—N195.45 (11)I—C7—C8120.2 (3)
O1i—Cu—O3ii173.04 (9)I—C7—C6118.6 (2)
O1—S—O2113.43 (17)O4—C8—C7124.9 (3)
O1—S—O3110.88 (17)O4—C8—C10118.1 (3)
O1—S—C5108.03 (16)C7—C8—C10117.0 (3)
O2—S—O3112.05 (17)C5—C9—C10117.4 (3)
O2—S—C5105.50 (15)C4—C9—C5125.8 (3)
O3—S—C5106.47 (17)C4—C9—C10116.8 (3)
Cui—O1—S130.63 (17)N1—C10—C8114.5 (3)
Cuii—O3—S146.93 (17)N1—C10—C9122.5 (3)
Cu—O4—C8110.41 (18)C8—C10—C9123.0 (3)
Cu—O1W—H1W112.87N1—C2—H2119.02
Cu—O1W—H2W106.53C3—C2—H2119.15
H1W—O1W—H2W106.30C2—C3—H3119.91
Cu—O2W—H3W125.29C4—C3—H3119.98
Cu—O2W—H4W123.73C9—C4—H4120.08
H3W—O2W—H4W108.50C3—C4—H4120.11
H5W—O3W—H6W102.03C5—C6—H6119.22
H7W—O4W—H8W105.58C7—C6—H6119.24
O4—Cu—N1—C1012.5 (2)C5—S—O3—Cuii16.7 (3)
O1i—Cu—N1—C1066.5 (2)O2—S—O1—Cui30.9 (3)
O3ii—Cu—N1—C10116.6 (2)O2—S—C5—C9176.5 (3)
O4ii—Cuii—O3—S87.6 (3)O3—S—C5—C6120.8 (3)
N1ii—Cuii—O3—S2.5 (3)O3—S—C5—C957.2 (3)
O1W—Cu—O4—C8169.1 (3)O1—S—O3—Cuii134.0 (3)
N1—Cu—O4—C815.2 (2)O1—S—C5—C961.9 (3)
O1i—Cu—O4—C876.8 (2)O2—S—C5—C61.6 (3)
O3ii—Cu—O4—C8109.2 (2)Cu—O4—C8—C1015.3 (4)
O1Wi—Cui—O1—S128.7 (2)Cu—O4—C8—C7164.2 (3)
O2Wi—Cui—O1—S37.6 (2)Cu—N1—C2—C3171.2 (3)
O4i—Cui—O1—S142.8 (2)C10—N1—C2—C30.1 (5)
N1i—Cui—O1—S59.2 (2)Cu—N1—C10—C9171.8 (3)
O1i—Cu—N1—C2105.4 (3)Cu—N1—C10—C87.8 (4)
O3ii—Cu—N1—C271.5 (3)C2—N1—C10—C8179.3 (3)
O2W—Cu—N1—C10161.8 (2)C2—N1—C10—C91.1 (5)
O1Wii—Cuii—O3—S174.4 (3)N1—C2—C3—C41.3 (6)
O2Wii—Cuii—O3—S93.4 (3)C2—C3—C4—C91.6 (6)
O2W—Cu—N1—C210.1 (3)C3—C4—C9—C100.6 (6)
O4—Cu—N1—C2175.6 (3)C3—C4—C9—C5179.8 (4)
O1i—Cu—O1W—H1W75.72S—C5—C9—C10175.5 (3)
O4—Cu—O1W—H2W38.53S—C5—C6—C7176.3 (3)
O1i—Cu—O1W—H2W40.58C9—C5—C6—C71.8 (5)
O3ii—Cu—O1W—H2W143.41S—C5—C9—C45.3 (5)
O2W—Cu—O1W—H2W135.74C6—C5—C9—C102.5 (5)
O2W—Cu—O1W—H1W19.45C6—C5—C9—C4176.7 (4)
O3ii—Cu—O1W—H1W100.29C5—C6—C7—I175.8 (3)
O1i—Cu—O2W—H4W20.30C5—C6—C7—C82.6 (6)
O1W—Cu—O2W—H4W71.88C6—C7—C8—C105.8 (5)
N1—Cu—O2W—H4W111.67C6—C7—C8—O4174.6 (3)
O4—Cu—O1W—H1W154.82I—C7—C8—O47.0 (5)
O1W—Cu—O2W—H3W128.03I—C7—C8—C10172.5 (3)
N1—Cu—O2W—H3W48.42O4—C8—C10—N15.1 (5)
O1i—Cu—O2W—H3W139.79O4—C8—C10—C9175.3 (3)
O3ii—Cu—O2W—H3W46.08C7—C8—C10—N1174.4 (3)
O3ii—Cu—O2W—H4W153.83C7—C8—C10—C95.1 (5)
O3—S—O1—Cui157.97 (19)C4—C9—C10—N10.8 (5)
O1—S—C5—C6120.1 (3)C4—C9—C10—C8179.7 (4)
C5—S—O1—Cui85.7 (2)C5—C9—C10—N1178.5 (3)
O2—S—O3—Cuii98.1 (3)C5—C9—C10—C81.0 (5)
Symmetry codes: (i) x+1, y, z; (ii) x+2, y, z; (iii) x, y1, z; (iv) x+1, y1, z; (v) x+2, y1/2, z+1/2; (vi) x+2, y+1/2, z+1/2; (vii) x, y1/2, z1/2; (viii) x, y+1/2, z1/2; (ix) x, y+1, z; (x) x+1, y+1/2, z+1/2; (xi) x, y+1/2, z+1/2; (xii) x, y1/2, z+1/2; (xiii) x+1, y1/2, z+1/2; (xiv) x+2, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W···O3W0.801.932.719 (4)169
O1W—H2W···O6W0.801.922.720 (4)175
O2W—H3W···O4W0.821.882.684 (4)170
O2W—H4W···O5W0.802.092.866 (5)161
O3W—H5W···O5W0.791.972.750 (5)171
O3W—H6W···O4vi0.811.972.785 (4)178
O4W—H7W···O3Wvi0.802.002.795 (4)167
O4W—H8W···O2ii0.812.002.794 (4)166
O5W—H9W···O6Wx0.812.122.899 (5)162
O5W—H10W···O3xi0.902.082.975 (5)173
O6W—H11W···O3xii0.812.182.955 (4)163
O6W—H12W···O40.812.583.016 (4)115
C6—H6···O20.932.402.822 (5)107
Symmetry codes: (ii) x+2, y, z; (vi) x+2, y+1/2, z+1/2; (x) x+1, y+1/2, z+1/2; (xi) x, y+1/2, z+1/2; (xii) x, y1/2, z+1/2.
 

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