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The title compound, [Cd(C2H6O2PS2)2(C10H8N2)]n, contains zigzag chains linked through the 4,4′-bipyridine groups. The Cd atom exhibits a slightly distorted octahedral coordination environment, consisting of four S atoms of the chelating dimethyl dithio­phosphate ligands and two N atoms of the centrosymmetric bridging 4,4′-bipyridine ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804031885/is6023sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804031885/is6023Isup2.hkl
Contains datablock I

CCDC reference: 262252

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.042
  • wR factor = 0.109
  • Data-to-parameter ratio = 21.5

checkCIF/PLATON results

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Alert level A DIFF020_ALERT_1_A _diffrn_standards_interval_count and _diffrn_standards_interval_time are missing. Number of measurements between standards or time (min) between standards.
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.33 Ratio
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT199_ALERT_1_C Check the Reported cell_measurement_temperature 293 PLAT200_ALERT_1_C Check the Reported cell_ambient_temperature .... 293 PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.94 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for P1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for P2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C8
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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: CrystalClear (Rigaku Corporation, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

catena-Poly[[bis(O,O'-dimethyl dithiophosphato-κ2S,S')cadmium(II)]-µ-4,4'-bipyridine-N:N'] top
Crystal data top
[Cd(C2H6O2PS2)2(C10H8N2)]Z = 2
Mr = 582.90F(000) = 584
Triclinic, P1Dx = 1.654 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.281 (3) ÅCell parameters from 3009 reflections
b = 10.672 (4) Åθ = 3.4–27.5°
c = 12.945 (5) ŵ = 1.45 mm1
α = 79.209 (15)°T = 293 K
β = 67.071 (12)°Prism, colorless
γ = 63.502 (13)°0.30 × 0.25 × 0.20 mm
V = 1170.5 (7) Å3
Data collection top
Rigaku Mercury 70
diffractometer
5256 independent reflections
Radiation source: fine-focus sealed tube4625 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.016
ω scansθmax = 27.5°, θmin = 3.4°
Absorption correction: multi-scan
(CrystalClear; Rigaku, 2000)
h = 1312
Tmin = 0.654, Tmax = 0.744k = 1213
8921 measured reflectionsl = 1616
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)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.109H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0547P)2 + 1.0677P]
where P = (Fo2 + 2Fc2)/3
5256 reflections(Δ/σ)max = 0.001
244 parametersΔρmax = 0.96 e Å3
0 restraintsΔρmin = 0.86 e Å3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Cd10.32390 (3)0.76668 (3)0.75429 (2)0.04413 (10)
S10.29265 (14)0.94492 (13)0.85601 (10)0.0650 (3)
S20.34025 (14)0.98679 (12)0.60898 (9)0.0636 (3)
S30.24053 (12)0.53529 (11)0.88438 (8)0.0576 (3)
S40.02043 (11)0.62135 (11)0.64215 (8)0.0569 (2)
P10.31301 (14)1.06483 (12)0.72119 (10)0.0611 (3)
P20.02926 (11)0.49125 (10)0.77164 (8)0.0496 (2)
O10.1828 (6)1.1194 (6)0.6664 (4)0.1206 (17)
O20.4620 (6)1.2109 (4)0.7519 (4)0.1157 (16)
O30.0889 (4)0.4764 (4)0.8287 (3)0.0768 (9)
O40.0390 (4)0.3341 (3)0.7372 (3)0.0701 (8)
N10.3961 (4)0.6609 (3)0.6521 (3)0.0514 (7)
N20.5933 (3)0.8577 (3)0.8621 (3)0.0501 (7)
C10.5085 (6)0.7346 (5)0.6101 (5)0.0747 (14)
H1A0.55990.83080.62140.090*
C20.5525 (6)0.6762 (5)0.5510 (5)0.0752 (14)
H2A0.63220.73250.52370.090*
C30.4786 (4)0.5337 (4)0.5320 (3)0.0454 (7)
C40.3604 (5)0.4585 (4)0.5742 (4)0.0574 (9)
H4A0.30530.36260.56300.069*
C50.3240 (5)0.5257 (4)0.6328 (4)0.0614 (10)
H5A0.24370.47240.66030.074*
C60.6819 (5)0.9929 (5)0.8543 (4)0.0689 (12)
H6A0.63421.05090.81080.083*
C70.8391 (4)1.0514 (4)0.9068 (4)0.0647 (12)
H7A0.89531.14690.89880.078*
C80.9143 (4)0.9696 (4)0.9714 (3)0.0420 (7)
C90.8223 (4)0.8313 (4)0.9835 (4)0.0636 (11)
H9A0.86650.77231.03000.076*
C100.6646 (4)0.7796 (4)0.9269 (4)0.0620 (11)
H10A0.60540.68480.93480.074*
C110.0297 (10)1.0298 (13)0.6516 (9)0.181 (5)
H11A0.03461.08000.61640.272*
H11B0.00240.95370.60490.272*
H11C0.02010.99350.72320.272*
C120.5110 (10)1.2852 (7)0.8458 (6)0.133 (3)
H12A0.60271.36880.84810.199*
H12B0.43081.31010.84320.199*
H12C0.53381.22880.91160.199*
C130.0802 (9)0.6009 (8)0.8645 (6)0.109 (2)
H13A0.15780.57550.89750.164*
H13B0.02060.64830.91870.164*
H13C0.09780.66190.80090.164*
C140.1816 (7)0.2764 (6)0.6445 (5)0.099 (2)
H14A0.20610.18020.63550.149*
H14B0.26360.28200.65890.149*
H14C0.17020.32850.57720.149*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.03713 (14)0.04349 (15)0.04872 (16)0.01399 (11)0.01563 (11)0.00061 (10)
S10.0749 (7)0.0681 (7)0.0603 (6)0.0325 (6)0.0269 (5)0.0044 (5)
S20.0755 (7)0.0596 (6)0.0538 (6)0.0311 (5)0.0234 (5)0.0135 (5)
S30.0528 (5)0.0568 (6)0.0465 (5)0.0138 (4)0.0159 (4)0.0097 (4)
S40.0447 (5)0.0588 (6)0.0517 (5)0.0154 (4)0.0109 (4)0.0044 (4)
P10.0663 (7)0.0510 (6)0.0579 (6)0.0299 (5)0.0055 (5)0.0040 (5)
P20.0446 (5)0.0474 (5)0.0494 (5)0.0082 (4)0.0218 (4)0.0005 (4)
O10.127 (4)0.148 (4)0.124 (4)0.109 (4)0.032 (3)0.024 (3)
O20.148 (4)0.061 (2)0.085 (3)0.001 (2)0.031 (3)0.015 (2)
O30.0629 (19)0.082 (2)0.087 (2)0.0129 (17)0.0479 (17)0.0013 (18)
O40.0681 (19)0.0495 (16)0.0699 (19)0.0115 (14)0.0154 (15)0.0035 (14)
N10.0538 (17)0.0499 (17)0.0554 (18)0.0184 (15)0.0282 (14)0.0008 (14)
N20.0353 (14)0.0488 (17)0.0578 (18)0.0154 (13)0.0111 (12)0.0009 (14)
C10.092 (3)0.048 (2)0.098 (4)0.013 (2)0.064 (3)0.007 (2)
C20.089 (3)0.047 (2)0.107 (4)0.010 (2)0.072 (3)0.002 (2)
C30.0496 (19)0.0446 (18)0.0457 (18)0.0200 (16)0.0231 (15)0.0067 (14)
C40.057 (2)0.045 (2)0.075 (3)0.0146 (18)0.036 (2)0.0013 (18)
C50.058 (2)0.052 (2)0.081 (3)0.0125 (19)0.043 (2)0.002 (2)
C60.045 (2)0.052 (2)0.087 (3)0.0221 (18)0.006 (2)0.015 (2)
C70.0393 (19)0.0405 (19)0.089 (3)0.0103 (16)0.0119 (19)0.016 (2)
C80.0343 (16)0.0439 (18)0.0463 (17)0.0172 (14)0.0128 (13)0.0028 (14)
C90.0391 (19)0.0401 (19)0.093 (3)0.0152 (16)0.0118 (19)0.0128 (19)
C100.0415 (19)0.0392 (19)0.087 (3)0.0117 (16)0.0145 (19)0.0083 (19)
C110.098 (6)0.237 (13)0.178 (9)0.084 (8)0.007 (6)0.015 (9)
C120.145 (7)0.086 (5)0.109 (5)0.011 (4)0.037 (5)0.043 (4)
C130.128 (5)0.118 (5)0.129 (5)0.052 (4)0.089 (5)0.004 (4)
C140.086 (4)0.069 (3)0.088 (4)0.006 (3)0.000 (3)0.021 (3)
Geometric parameters (Å, º) top
Cd1—N12.377 (3)C3—C41.378 (5)
Cd1—N22.378 (3)C3—C3i1.480 (7)
Cd1—S12.696 (1)C4—C51.376 (6)
Cd1—S22.706 (1)C4—H4A0.9300
Cd1—S32.711 (1)C5—H5A0.9300
Cd1—S42.691 (1)C6—C71.366 (5)
P1—S11.984 (2)C6—H6A0.9300
P1—S21.965 (2)C7—C81.373 (5)
P2—S31.986 (2)C7—H7A0.9300
P2—S41.967 (2)C8—C91.372 (5)
P1—O11.560 (4)C8—C8ii1.489 (6)
P1—O21.601 (4)C9—C101.377 (5)
P2—O41.578 (3)C9—H9A0.9300
P2—O31.591 (3)C10—H10A0.9300
O1—C111.385 (10)C11—H11A0.9600
O2—C121.374 (7)C11—H11B0.9600
O3—C131.443 (7)C11—H11C0.9600
O4—C141.439 (6)C12—H12A0.9600
N1—C51.315 (5)C12—H12B0.9600
N1—C11.330 (5)C12—H12C0.9600
N2—C101.320 (5)C13—H13A0.9600
N2—C61.329 (5)C13—H13B0.9600
C1—C21.370 (6)C13—H13C0.9600
C1—H1A0.9300C14—H14A0.9600
C2—C31.384 (6)C14—H14B0.9600
C2—H2A0.9300C14—H14C0.9600
N1—Cd1—N283.13 (14)C4—C3—C3i121.9 (4)
N1—Cd1—S491.79 (9)C2—C3—C3i122.0 (4)
N2—Cd1—S4170.39 (8)C5—C4—C3119.9 (4)
N1—Cd1—S1165.97 (8)C5—C4—H4A120.0
N2—Cd1—S189.34 (9)C3—C4—H4A120.0
S4—Cd1—S197.24 (4)N1—C5—C4123.8 (4)
N1—Cd1—S292.56 (9)N1—C5—H5A118.1
N2—Cd1—S295.73 (8)C4—C5—H5A118.1
S4—Cd1—S292.63 (4)N2—C6—C7123.6 (4)
S1—Cd1—S276.37 (5)N2—C6—H6A118.2
N1—Cd1—S393.22 (9)C7—C6—H6A118.2
N2—Cd1—S396.14 (8)C6—C7—C8120.2 (4)
S3—Cd1—S475.93 (4)C6—C7—H7A119.9
S1—Cd1—S399.37 (5)C8—C7—H7A119.9
S2—Cd1—S3167.33 (4)C9—C8—C7116.3 (3)
P1—S1—Cd184.02 (6)C9—C8—C8ii122.4 (4)
P1—S2—Cd184.10 (6)C7—C8—C8ii121.3 (4)
P2—S3—Cd184.20 (5)C8—C9—C10120.1 (3)
P2—S4—Cd185.08 (5)C8—C9—H9A119.9
O1—P1—O299.8 (3)C10—C9—H9A119.9
O1—P1—S2111.6 (2)N2—C10—C9123.3 (4)
O2—P1—S2103.5 (2)N2—C10—H10A118.3
O1—P1—S1112.8 (2)C9—C10—H10A118.3
O2—P1—S1112.15 (17)O1—C11—H11A109.5
S1—P1—S2115.51 (7)O1—C11—H11B109.5
O4—P2—O399.09 (19)H11A—C11—H11B109.5
O4—P2—S4113.05 (13)O1—C11—H11C109.5
O3—P2—S4111.13 (16)H11A—C11—H11C109.5
O4—P2—S3106.90 (14)H11B—C11—H11C109.5
O3—P2—S3111.14 (15)O2—C12—H12A109.5
S3—P2—S4114.43 (6)O2—C12—H12B109.5
C11—O1—P1120.4 (6)H12A—C12—H12B109.5
C12—O2—P1123.3 (5)O2—C12—H12C109.5
C13—O3—P2119.0 (3)H12A—C12—H12C109.5
C14—O4—P2120.5 (3)H12B—C12—H12C109.5
C5—N1—C1116.7 (3)O3—C13—H13A109.5
C5—N1—Cd1121.1 (3)O3—C13—H13B109.5
C1—N1—Cd1122.1 (3)H13A—C13—H13B109.5
C10—N2—C6116.4 (3)O3—C13—H13C109.5
C10—N2—Cd1123.6 (3)H13A—C13—H13C109.5
C6—N2—Cd1120.0 (2)H13B—C13—H13C109.5
N1—C1—C2123.3 (4)O4—C14—H14A109.5
N1—C1—H1A118.3O4—C14—H14B109.5
C2—C1—H1A118.3H14A—C14—H14B109.5
C1—C2—C3120.1 (4)O4—C14—H14C109.5
C1—C2—H2A119.9H14A—C14—H14C109.5
C3—C2—H2A119.9H14B—C14—H14C109.5
C4—C3—C2116.1 (3)
Symmetry codes: (i) x1, y+1, z+1; (ii) x2, y+2, z+2.
 

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