Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The title compound, cis-[PtCl2(C12H10Se)2]·C4H8O, contains discrete mononuclear platinum complexes and tetra­hydro­furan solvent mol­ecules. The Pt atom shows an approximately square-planar cis-PtSe2Cl2 coordination geometry, with Pt—Se bond lengths of 2.3920 (6) and 2.3948 (6) Å. The complexes form stacks of dimeric units that are linked together through weak C—H...Cl hydrogen bonds. The metal complex inter­acts with the solvent mol­ecule via a C—H...O hydrogen bond.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680604846X/hb2189sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680604846X/hb2189Isup2.hkl
Contains datablock I

CCDC reference: 629836

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.032
  • wR factor = 0.088
  • Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pt1 - Se1 .. 5.16 su PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for C3 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: KappaCCD Server Software (Bruker Nonius, 2002); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Berndt, 1999); software used to prepare material for publication: WinGX (Farrugia, 1999).

cis-Dichlorobis(diphenyl selenide)platinum(II) tetrahydrofuran solvate top
Crystal data top
[PtCl2(C12H10Se)2]·C4H8OF(000) = 1536
Mr = 804.41Dx = 1.978 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 5232 reflections
a = 10.461 (2) Åθ = 3.0–26.0°
b = 14.671 (3) ŵ = 8.11 mm1
c = 18.059 (4) ÅT = 120 K
β = 102.96 (3)°Block, yellow
V = 2701.0 (10) Å30.20 × 0.20 × 0.15 mm
Z = 4
Data collection top
Bruker Nonius KappaCCD area-detector
diffractometer
5232 independent reflections
Radiation source: fine-focus sealed tube4817 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.057
φ scans, and ω scans with κ offsetsθmax = 26.0°, θmin = 3.0°
Absorption correction: multi-scan
(XPREP in SHELXTL; Bruker, 2001)
h = 1211
Tmin = 0.232, Tmax = 0.297k = 1718
17438 measured reflectionsl = 2122
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.032H-atom parameters constrained
wR(F2) = 0.088 w = 1/[σ2(Fo2) + (0.0532P)2 + 4.3298P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.001
5232 reflectionsΔρmax = 1.16 e Å3
308 parametersΔρmin = 1.34 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00214 (19)
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
Pt10.085510 (15)0.089176 (11)0.074415 (9)0.01455 (10)
Cl10.24003 (11)0.02711 (8)0.09393 (6)0.0213 (2)
Cl20.23393 (11)0.18372 (8)0.03507 (7)0.0230 (2)
Se10.04627 (4)0.02101 (3)0.12051 (2)0.01648 (12)
Se20.08694 (4)0.19990 (3)0.04775 (2)0.01643 (12)
C1110.0368 (4)0.0414 (3)0.2263 (3)0.0193 (9)
C1120.0124 (5)0.1140 (4)0.2603 (3)0.0288 (11)
H1120.08310.14940.23240.035*
C1130.0438 (6)0.1343 (4)0.3361 (3)0.0349 (13)
H1130.01080.18370.36020.042*
C1140.1464 (6)0.0835 (4)0.3761 (3)0.0340 (13)
H1140.18430.09780.42770.041*
C1150.1943 (5)0.0118 (4)0.3414 (3)0.0362 (13)
H1150.26610.02260.36930.043*
C1160.1391 (5)0.0114 (4)0.2659 (3)0.0272 (11)
H1160.17100.06190.24250.033*
C1210.2027 (4)0.0373 (3)0.1377 (3)0.0189 (9)
C1220.1997 (5)0.1003 (3)0.1950 (3)0.0196 (10)
H1220.11880.11640.22810.024*
C1230.3160 (5)0.1397 (4)0.2038 (3)0.0273 (11)
H1230.31480.18280.24320.033*
C1240.4335 (5)0.1165 (4)0.1554 (3)0.0276 (11)
H1240.51310.14380.16110.033*
C1250.4339 (5)0.0527 (4)0.0983 (3)0.0261 (11)
H1250.51470.03700.06490.031*
C1260.3200 (5)0.0119 (3)0.0891 (3)0.0233 (10)
H1260.32150.03250.05060.028*
C2110.0487 (5)0.2815 (3)0.1337 (3)0.0208 (10)
C2120.0771 (5)0.2892 (3)0.1782 (3)0.0239 (10)
H2120.14740.25520.16670.029*
C2130.0979 (5)0.3477 (3)0.2400 (3)0.0282 (11)
H2130.18360.35360.27130.034*
C2140.0042 (6)0.3976 (4)0.2567 (3)0.0302 (12)
H2140.01120.43690.29960.036*
C2150.1287 (6)0.3902 (4)0.2107 (3)0.0317 (12)
H2150.19850.42540.22160.038*
C2160.1522 (5)0.3318 (3)0.1489 (3)0.0245 (10)
H2160.23770.32610.11750.029*
C2210.0486 (4)0.2809 (3)0.0295 (3)0.0195 (9)
C2220.0223 (5)0.3608 (3)0.0131 (3)0.0260 (11)
H2220.05420.37910.03820.031*
C2230.0465 (6)0.4137 (3)0.0716 (3)0.0307 (12)
H2230.09740.46770.06070.037*
C2240.0039 (6)0.3879 (4)0.1468 (3)0.0349 (13)
H2240.01240.42450.18710.042*
C2250.0767 (6)0.3098 (4)0.1626 (3)0.0347 (13)
H2250.11130.29300.21400.042*
C2260.1007 (5)0.2549 (3)0.1042 (3)0.0260 (11)
H2260.15140.20090.11530.031*
O10.5777 (5)0.2920 (3)0.0098 (2)0.0469 (11)
C10.5598 (8)0.3796 (5)0.0220 (4)0.0509 (17)
H1A0.63600.39700.04290.076*
H1B0.55040.42470.01720.076*
C20.4370 (8)0.3767 (5)0.0843 (4)0.0555 (19)
H2A0.44260.41970.12570.083*
H2B0.35860.39160.06450.083*
C30.4329 (11)0.2788 (5)0.1115 (4)0.078 (3)
H3A0.34340.25330.11820.117*
H3B0.46050.27460.16040.117*
C40.5282 (6)0.2287 (4)0.0494 (3)0.0409 (14)
H4A0.48310.17790.02970.061*
H4B0.60110.20310.06960.061*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.01272 (13)0.01682 (13)0.01411 (13)0.00030 (6)0.00298 (8)0.00059 (6)
Cl10.0171 (5)0.0226 (6)0.0255 (6)0.0047 (4)0.0076 (4)0.0033 (4)
Cl20.0189 (6)0.0223 (5)0.0295 (6)0.0017 (4)0.0088 (5)0.0023 (5)
Se10.0147 (2)0.0183 (2)0.0165 (2)0.00097 (16)0.00352 (17)0.00119 (17)
Se20.0142 (2)0.0173 (2)0.0173 (2)0.00045 (16)0.00237 (17)0.00074 (17)
C1110.019 (2)0.021 (2)0.019 (2)0.0071 (18)0.0052 (17)0.0015 (18)
C1120.033 (3)0.024 (2)0.029 (3)0.002 (2)0.007 (2)0.001 (2)
C1130.043 (3)0.032 (3)0.033 (3)0.011 (2)0.016 (2)0.011 (2)
C1140.030 (3)0.049 (4)0.022 (3)0.015 (2)0.004 (2)0.011 (2)
C1150.024 (3)0.059 (4)0.023 (3)0.003 (3)0.000 (2)0.002 (3)
C1160.023 (3)0.041 (3)0.019 (2)0.002 (2)0.0072 (19)0.002 (2)
C1210.016 (2)0.023 (2)0.019 (2)0.0009 (17)0.0064 (17)0.0061 (19)
C1220.017 (2)0.020 (2)0.023 (2)0.0011 (17)0.0066 (19)0.0027 (18)
C1230.025 (3)0.025 (2)0.034 (3)0.002 (2)0.011 (2)0.001 (2)
C1240.015 (2)0.033 (3)0.036 (3)0.006 (2)0.008 (2)0.013 (2)
C1250.015 (2)0.040 (3)0.022 (2)0.003 (2)0.0016 (18)0.005 (2)
C1260.022 (2)0.032 (3)0.015 (2)0.004 (2)0.0032 (18)0.000 (2)
C2110.025 (3)0.017 (2)0.021 (2)0.0022 (18)0.0057 (19)0.0034 (18)
C2120.023 (3)0.024 (2)0.025 (2)0.0015 (19)0.0054 (19)0.003 (2)
C2130.033 (3)0.027 (3)0.022 (2)0.004 (2)0.000 (2)0.006 (2)
C2140.046 (3)0.025 (3)0.021 (2)0.002 (2)0.010 (2)0.007 (2)
C2150.036 (3)0.025 (3)0.038 (3)0.002 (2)0.017 (2)0.001 (2)
C2160.021 (2)0.025 (2)0.028 (2)0.0020 (19)0.005 (2)0.001 (2)
C2210.019 (2)0.021 (2)0.019 (2)0.0053 (18)0.0040 (18)0.0021 (18)
C2220.023 (3)0.023 (2)0.031 (3)0.0029 (19)0.004 (2)0.000 (2)
C2230.035 (3)0.023 (3)0.037 (3)0.002 (2)0.014 (3)0.004 (2)
C2240.042 (3)0.030 (3)0.037 (3)0.009 (2)0.019 (3)0.010 (2)
C2250.056 (4)0.027 (3)0.024 (3)0.007 (2)0.016 (2)0.002 (2)
C2260.043 (3)0.013 (2)0.021 (2)0.005 (2)0.006 (2)0.000 (2)
O10.060 (3)0.033 (2)0.041 (2)0.0038 (19)0.004 (2)0.0006 (19)
C10.067 (5)0.039 (3)0.043 (4)0.005 (3)0.002 (3)0.005 (3)
C20.073 (5)0.046 (4)0.043 (4)0.025 (4)0.004 (3)0.005 (3)
C30.131 (8)0.044 (4)0.042 (4)0.018 (5)0.017 (5)0.005 (3)
C40.040 (3)0.037 (3)0.041 (3)0.002 (3)0.001 (3)0.002 (3)
Geometric parameters (Å, º) top
Pt1—Cl22.3096 (12)C212—H2120.9500
Pt1—Cl12.3220 (11)C213—C2141.383 (8)
Pt1—Se12.3920 (6)C213—H2130.9500
Pt1—Se22.3949 (6)C214—C2151.383 (8)
Se1—C1211.933 (5)C214—H2140.9500
Se1—C1111.937 (4)C215—C2161.386 (8)
Se2—C2111.930 (5)C215—H2150.9500
Se2—C2211.941 (5)C216—H2160.9500
C111—C1121.385 (7)C221—C2221.383 (7)
C111—C1161.383 (7)C221—C2261.391 (7)
C112—C1131.396 (8)C222—C2231.380 (8)
C112—H1120.9500C222—H2220.9500
C113—C1141.371 (9)C223—C2241.394 (9)
C113—H1130.9500C223—H2230.9500
C114—C1151.374 (9)C224—C2251.369 (8)
C114—H1140.9500C224—H2240.9500
C115—C1161.399 (7)C225—C2261.394 (7)
C115—H1150.9500C225—H2250.9500
C116—H1160.9500C226—H2260.9500
C121—C1221.383 (7)O1—C11.403 (8)
C121—C1261.390 (6)O1—C41.423 (7)
C122—C1231.387 (7)C1—C21.507 (10)
C122—H1220.9500C1—H1A0.9900
C123—C1241.381 (7)C1—H1B0.9900
C123—H1230.9500C2—C31.516 (10)
C124—C1251.392 (8)C2—H2A0.9900
C124—H1240.9500C2—H2B0.9900
C125—C1261.377 (7)C3—C41.514 (9)
C125—H1250.9500C3—H3A0.9900
C126—H1260.9500C3—H3B0.9900
C211—C2121.384 (7)C4—H4A0.9900
C211—C2161.387 (7)C4—H4B0.9900
C212—C2131.386 (7)
Cl2—Pt1—Cl189.70 (4)C214—C213—H213119.5
Cl2—Pt1—Se1173.04 (3)C212—C213—H213119.5
Cl1—Pt1—Se183.49 (3)C215—C214—C213119.8 (5)
Cl2—Pt1—Se293.37 (3)C215—C214—H214120.1
Cl1—Pt1—Se2175.00 (3)C213—C214—H214120.1
Se1—Pt1—Se293.52 (2)C214—C215—C216120.3 (5)
C121—Se1—C11196.79 (19)C214—C215—H215119.8
C121—Se1—Pt1109.38 (14)C216—C215—H215119.8
C111—Se1—Pt1106.35 (15)C211—C216—C215118.9 (5)
C211—Se2—C22199.1 (2)C211—C216—H216120.5
C211—Se2—Pt1104.37 (14)C215—C216—H216120.5
C221—Se2—Pt1106.98 (14)C222—C221—C226121.0 (5)
C112—C111—C116121.6 (4)C222—C221—Se2123.5 (4)
C112—C111—Se1115.2 (4)C226—C221—Se2115.5 (4)
C116—C111—Se1123.2 (4)C223—C222—C221119.6 (5)
C111—C112—C113118.8 (5)C223—C222—H222120.2
C111—C112—H112120.6C221—C222—H222120.2
C113—C112—H112120.6C222—C223—C224119.9 (5)
C114—C113—C112120.5 (5)C222—C223—H223120.0
C114—C113—H113119.7C224—C223—H223120.0
C112—C113—H113119.7C225—C224—C223120.1 (5)
C113—C114—C115119.9 (5)C225—C224—H224119.9
C113—C114—H114120.1C223—C224—H224119.9
C115—C114—H114120.1C224—C225—C226120.7 (5)
C114—C115—C116121.2 (5)C224—C225—H225119.6
C114—C115—H115119.4C226—C225—H225119.6
C116—C115—H115119.4C221—C226—C225118.6 (5)
C111—C116—C115118.0 (5)C221—C226—H226120.7
C111—C116—H116121.0C225—C226—H226120.7
C115—C116—H116121.0C1—O1—C4107.3 (5)
C122—C121—C126121.4 (4)O1—C1—C2107.1 (6)
C122—C121—Se1122.6 (3)O1—C1—H1A110.3
C126—C121—Se1116.0 (4)C2—C1—H1A110.3
C121—C122—C123119.4 (5)O1—C1—H1B110.3
C121—C122—H122120.3C2—C1—H1B110.3
C123—C122—H122120.3H1A—C1—H1B108.6
C124—C123—C122120.2 (5)C1—C2—C3103.0 (6)
C124—C123—H123119.9C1—C2—H2A111.2
C122—C123—H123119.9C3—C2—H2A111.2
C123—C124—C125119.3 (5)C1—C2—H2B111.2
C123—C124—H124120.4C3—C2—H2B111.2
C125—C124—H124120.4H2A—C2—H2B109.1
C126—C125—C124121.5 (5)C4—C3—C2104.7 (6)
C126—C125—H125119.2C4—C3—H3A110.8
C124—C125—H125119.2C2—C3—H3A110.8
C125—C126—C121118.2 (5)C4—C3—H3B110.8
C125—C126—H126120.9C2—C3—H3B110.8
C121—C126—H126120.9H3A—C3—H3B108.9
C212—C211—C216121.6 (4)O1—C4—C3107.9 (5)
C212—C211—Se2121.1 (4)O1—C4—H4A110.1
C216—C211—Se2117.3 (4)C3—C4—H4A110.1
C211—C212—C213118.4 (5)O1—C4—H4B110.1
C211—C212—H212120.8C3—C4—H4B110.1
C213—C212—H212120.8H4A—C4—H4B108.4
C214—C213—C212120.9 (5)
Cl1—Pt1—Se1—C121170.41 (15)Se1—C121—C126—C125178.9 (4)
Se2—Pt1—Se1—C12113.61 (14)C221—Se2—C211—C21287.5 (4)
Cl1—Pt1—Se1—C11166.89 (14)Pt1—Se2—C211—C21222.8 (4)
Se2—Pt1—Se1—C111117.13 (14)C221—Se2—C211—C21692.6 (4)
Cl2—Pt1—Se2—C21179.73 (15)Pt1—Se2—C211—C216157.1 (4)
Se1—Pt1—Se2—C21199.29 (15)C216—C211—C212—C2131.1 (8)
Cl2—Pt1—Se2—C22124.73 (14)Se2—C211—C212—C213178.8 (4)
Se1—Pt1—Se2—C221156.25 (14)C211—C212—C213—C2140.3 (8)
C121—Se1—C111—C11277.6 (4)C212—C213—C214—C2150.9 (8)
Pt1—Se1—C111—C112169.9 (3)C213—C214—C215—C2161.3 (8)
C121—Se1—C111—C116103.2 (4)C212—C211—C216—C2150.7 (8)
Pt1—Se1—C111—C1169.4 (4)Se2—C211—C216—C215179.2 (4)
C116—C111—C112—C1130.4 (8)C214—C215—C216—C2110.5 (8)
Se1—C111—C112—C113178.8 (4)C211—Se2—C221—C22216.3 (4)
C111—C112—C113—C1140.4 (8)Pt1—Se2—C221—C22291.9 (4)
C112—C113—C114—C1150.1 (9)C211—Se2—C221—C226162.0 (4)
C113—C114—C115—C1160.9 (9)Pt1—Se2—C221—C22689.8 (4)
C112—C111—C116—C1151.4 (8)C226—C221—C222—C2232.7 (8)
Se1—C111—C116—C115177.8 (4)Se2—C221—C222—C223179.1 (4)
C114—C115—C116—C1111.6 (8)C221—C222—C223—C2241.9 (8)
C111—Se1—C121—C12241.3 (4)C222—C223—C224—C2250.3 (8)
Pt1—Se1—C121—C12268.8 (4)C223—C224—C225—C2260.5 (9)
C111—Se1—C121—C126138.4 (4)C222—C221—C226—C2251.8 (8)
Pt1—Se1—C121—C126111.6 (3)Se2—C221—C226—C225179.8 (4)
C126—C121—C122—C1230.7 (7)C224—C225—C226—C2210.2 (8)
Se1—C121—C122—C123179.7 (4)C4—O1—C1—C232.2 (8)
C121—C122—C123—C1240.3 (7)O1—C1—C2—C329.5 (9)
C122—C123—C124—C1250.5 (8)C1—C2—C3—C415.7 (9)
C123—C124—C125—C1260.3 (8)C1—O1—C4—C321.4 (8)
C124—C125—C126—C1211.2 (8)C2—C3—C4—O12.4 (9)
C122—C121—C126—C1251.4 (7)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C216—H216···O1i0.952.473.384 (7)163
C226—H226···Cl1ii0.952.773.667 (5)158
Symmetry codes: (i) x1, y, z; (ii) x, y, z.
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds