cis-Dichloro­bis(diphenyl selenide)platinum(II) tetra­hydro­furan solvate

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.

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

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Computing details

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

Crystal data

[PtCl2(C12H10Se)2]·C4H8O	F(000) = 1536
Mr = 804.41	Dx = 1.978 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 5232 reflections
a = 10.461 (2) Å	θ = 3.0–26.0°
b = 14.671 (3) Å	µ = 8.11 mm^−1
c = 18.059 (4) Å	T = 120 K
β = 102.96 (3)°	Block, yellow
V = 2701.0 (10) Å^3	0.20 × 0.20 × 0.15 mm
Z = 4

Data collection

Bruker Nonius KappaCCD area-detector diffractometer	5232 independent reflections
Radiation source: fine-focus sealed tube	4817 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.057
φ scans, and ω scans with κ offsets	θmax = 26.0°, θmin = 3.0°
Absorption correction: multi-scan (XPREP in SHELXTL; Bruker, 2001)	h = −12→11
Tmin = 0.232, Tmax = 0.297	k = −17→18
17438 measured reflections	l = −21→22

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.032	H-atom parameters constrained
wR(F^2) = 0.088	w = 1/[σ^2(Fo^2) + (0.0532P)^2 + 4.3298P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.001
5232 reflections	Δρmax = 1.16 e Å^−3
308 parameters	Δρmin = −1.34 e Å^−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00214 (19)

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
Pt1	0.085510 (15)	0.089176 (11)	0.074415 (9)	0.01455 (10)
Cl1	0.24003 (11)	−0.02711 (8)	0.09393 (6)	0.0213 (2)
Cl2	0.23393 (11)	0.18372 (8)	0.03507 (7)	0.0230 (2)
Se1	−0.04627 (4)	−0.02101 (3)	0.12051 (2)	0.01648 (12)
Se2	−0.08694 (4)	0.19990 (3)	0.04775 (2)	0.01643 (12)
C111	0.0368 (4)	−0.0414 (3)	0.2263 (3)	0.0193 (9)
C112	−0.0124 (5)	−0.1140 (4)	0.2603 (3)	0.0288 (11)
H112	−0.0831	−0.1494	0.2324	0.035*
C113	0.0438 (6)	−0.1343 (4)	0.3361 (3)	0.0349 (13)
H113	0.0108	−0.1837	0.3602	0.042*
C114	0.1464 (6)	−0.0835 (4)	0.3761 (3)	0.0340 (13)
H114	0.1843	−0.0978	0.4277	0.041*
C115	0.1943 (5)	−0.0118 (4)	0.3414 (3)	0.0362 (13)
H115	0.2661	0.0226	0.3693	0.043*
C116	0.1391 (5)	0.0114 (4)	0.2659 (3)	0.0272 (11)
H116	0.1710	0.0619	0.2425	0.033*
C121	−0.2027 (4)	0.0373 (3)	0.1377 (3)	0.0189 (9)
C122	−0.1997 (5)	0.1003 (3)	0.1950 (3)	0.0196 (10)
H122	−0.1188	0.1164	0.2281	0.024*
C123	−0.3160 (5)	0.1397 (4)	0.2038 (3)	0.0273 (11)
H123	−0.3148	0.1828	0.2432	0.033*
C124	−0.4335 (5)	0.1165 (4)	0.1554 (3)	0.0276 (11)
H124	−0.5131	0.1438	0.1611	0.033*
C125	−0.4339 (5)	0.0527 (4)	0.0983 (3)	0.0261 (11)
H125	−0.5147	0.0370	0.0649	0.031*
C126	−0.3200 (5)	0.0119 (3)	0.0891 (3)	0.0233 (10)
H126	−0.3215	−0.0325	0.0506	0.028*
C211	−0.0487 (5)	0.2815 (3)	0.1337 (3)	0.0208 (10)
C212	0.0771 (5)	0.2892 (3)	0.1782 (3)	0.0239 (10)
H212	0.1474	0.2552	0.1667	0.029*
C213	0.0979 (5)	0.3477 (3)	0.2400 (3)	0.0282 (11)
H213	0.1836	0.3536	0.2713	0.034*
C214	−0.0042 (6)	0.3976 (4)	0.2567 (3)	0.0302 (12)
H214	0.0112	0.4369	0.2996	0.036*
C215	−0.1287 (6)	0.3902 (4)	0.2107 (3)	0.0317 (12)
H215	−0.1985	0.4254	0.2216	0.038*
C216	−0.1522 (5)	0.3318 (3)	0.1489 (3)	0.0245 (10)
H216	−0.2377	0.3261	0.1175	0.029*
C221	−0.0486 (4)	0.2809 (3)	−0.0295 (3)	0.0195 (9)
C222	0.0223 (5)	0.3608 (3)	−0.0131 (3)	0.0260 (11)
H222	0.0542	0.3791	0.0382	0.031*
C223	0.0465 (6)	0.4137 (3)	−0.0716 (3)	0.0307 (12)
H223	0.0974	0.4677	−0.0607	0.037*
C224	−0.0039 (6)	0.3879 (4)	−0.1468 (3)	0.0349 (13)
H224	0.0124	0.4245	−0.1871	0.042*
C225	−0.0767 (6)	0.3098 (4)	−0.1626 (3)	0.0347 (13)
H225	−0.1113	0.2930	−0.2140	0.042*
C226	−0.1007 (5)	0.2549 (3)	−0.1042 (3)	0.0260 (11)
H226	−0.1514	0.2009	−0.1153	0.031*
O1	0.5777 (5)	0.2920 (3)	0.0098 (2)	0.0469 (11)
C1	0.5598 (8)	0.3796 (5)	−0.0220 (4)	0.0509 (17)
H1A	0.6360	0.3970	−0.0429	0.076*
H1B	0.5504	0.4247	0.0172	0.076*
C2	0.4370 (8)	0.3767 (5)	−0.0843 (4)	0.0555 (19)
H2A	0.4426	0.4197	−0.1257	0.083*
H2B	0.3586	0.3916	−0.0645	0.083*
C3	0.4329 (11)	0.2788 (5)	−0.1115 (4)	0.078 (3)
H3A	0.3434	0.2533	−0.1182	0.117*
H3B	0.4605	0.2746	−0.1604	0.117*
C4	0.5282 (6)	0.2287 (4)	−0.0494 (3)	0.0409 (14)
H4A	0.4831	0.1779	−0.0297	0.061*
H4B	0.6011	0.2031	−0.0696	0.061*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pt1	0.01272 (13)	0.01682 (13)	0.01411 (13)	0.00030 (6)	0.00298 (8)	−0.00059 (6)
Cl1	0.0171 (5)	0.0226 (6)	0.0255 (6)	0.0047 (4)	0.0076 (4)	0.0033 (4)
Cl2	0.0189 (6)	0.0223 (5)	0.0295 (6)	−0.0017 (4)	0.0088 (5)	0.0023 (5)
Se1	0.0147 (2)	0.0183 (2)	0.0165 (2)	−0.00097 (16)	0.00352 (17)	−0.00119 (17)
Se2	0.0142 (2)	0.0173 (2)	0.0173 (2)	0.00045 (16)	0.00237 (17)	−0.00074 (17)
C111	0.019 (2)	0.021 (2)	0.019 (2)	0.0071 (18)	0.0052 (17)	0.0015 (18)
C112	0.033 (3)	0.024 (2)	0.029 (3)	0.002 (2)	0.007 (2)	0.001 (2)
C113	0.043 (3)	0.032 (3)	0.033 (3)	0.011 (2)	0.016 (2)	0.011 (2)
C114	0.030 (3)	0.049 (4)	0.022 (3)	0.015 (2)	0.004 (2)	0.011 (2)
C115	0.024 (3)	0.059 (4)	0.023 (3)	0.003 (3)	0.000 (2)	0.002 (3)
C116	0.023 (3)	0.041 (3)	0.019 (2)	−0.002 (2)	0.0072 (19)	0.002 (2)
C121	0.016 (2)	0.023 (2)	0.019 (2)	−0.0009 (17)	0.0064 (17)	0.0061 (19)
C122	0.017 (2)	0.020 (2)	0.023 (2)	−0.0011 (17)	0.0066 (19)	−0.0027 (18)
C123	0.025 (3)	0.025 (2)	0.034 (3)	0.002 (2)	0.011 (2)	0.001 (2)
C124	0.015 (2)	0.033 (3)	0.036 (3)	0.006 (2)	0.008 (2)	0.013 (2)
C125	0.015 (2)	0.040 (3)	0.022 (2)	−0.003 (2)	0.0016 (18)	0.005 (2)
C126	0.022 (2)	0.032 (3)	0.015 (2)	−0.004 (2)	0.0032 (18)	0.000 (2)
C211	0.025 (3)	0.017 (2)	0.021 (2)	0.0022 (18)	0.0057 (19)	−0.0034 (18)
C212	0.023 (3)	0.024 (2)	0.025 (2)	0.0015 (19)	0.0054 (19)	−0.003 (2)
C213	0.033 (3)	0.027 (3)	0.022 (2)	−0.004 (2)	0.000 (2)	−0.006 (2)
C214	0.046 (3)	0.025 (3)	0.021 (2)	−0.002 (2)	0.010 (2)	−0.007 (2)
C215	0.036 (3)	0.025 (3)	0.038 (3)	0.002 (2)	0.017 (2)	−0.001 (2)
C216	0.021 (2)	0.025 (2)	0.028 (2)	−0.0020 (19)	0.005 (2)	−0.001 (2)
C221	0.019 (2)	0.021 (2)	0.019 (2)	0.0053 (18)	0.0040 (18)	−0.0021 (18)
C222	0.023 (3)	0.023 (2)	0.031 (3)	−0.0029 (19)	0.004 (2)	0.000 (2)
C223	0.035 (3)	0.023 (3)	0.037 (3)	0.002 (2)	0.014 (3)	0.004 (2)
C224	0.042 (3)	0.030 (3)	0.037 (3)	0.009 (2)	0.019 (3)	0.010 (2)
C225	0.056 (4)	0.027 (3)	0.024 (3)	0.007 (2)	0.016 (2)	0.002 (2)
C226	0.043 (3)	0.013 (2)	0.021 (2)	0.005 (2)	0.006 (2)	0.000 (2)
O1	0.060 (3)	0.033 (2)	0.041 (2)	0.0038 (19)	−0.004 (2)	−0.0006 (19)
C1	0.067 (5)	0.039 (3)	0.043 (4)	0.005 (3)	0.002 (3)	0.005 (3)
C2	0.073 (5)	0.046 (4)	0.043 (4)	0.025 (4)	0.004 (3)	−0.005 (3)
C3	0.131 (8)	0.044 (4)	0.042 (4)	0.018 (5)	−0.017 (5)	0.005 (3)
C4	0.040 (3)	0.037 (3)	0.041 (3)	0.002 (3)	−0.001 (3)	−0.002 (3)

Geometric parameters (Å, º)

Pt1—Cl2	2.3096 (12)	C212—H212	0.9500
Pt1—Cl1	2.3220 (11)	C213—C214	1.383 (8)
Pt1—Se1	2.3920 (6)	C213—H213	0.9500
Pt1—Se2	2.3949 (6)	C214—C215	1.383 (8)
Se1—C121	1.933 (5)	C214—H214	0.9500
Se1—C111	1.937 (4)	C215—C216	1.386 (8)
Se2—C211	1.930 (5)	C215—H215	0.9500
Se2—C221	1.941 (5)	C216—H216	0.9500
C111—C112	1.385 (7)	C221—C222	1.383 (7)
C111—C116	1.383 (7)	C221—C226	1.391 (7)
C112—C113	1.396 (8)	C222—C223	1.380 (8)
C112—H112	0.9500	C222—H222	0.9500
C113—C114	1.371 (9)	C223—C224	1.394 (9)
C113—H113	0.9500	C223—H223	0.9500
C114—C115	1.374 (9)	C224—C225	1.369 (8)
C114—H114	0.9500	C224—H224	0.9500
C115—C116	1.399 (7)	C225—C226	1.394 (7)
C115—H115	0.9500	C225—H225	0.9500
C116—H116	0.9500	C226—H226	0.9500
C121—C122	1.383 (7)	O1—C1	1.403 (8)
C121—C126	1.390 (6)	O1—C4	1.423 (7)
C122—C123	1.387 (7)	C1—C2	1.507 (10)
C122—H122	0.9500	C1—H1A	0.9900
C123—C124	1.381 (7)	C1—H1B	0.9900
C123—H123	0.9500	C2—C3	1.516 (10)
C124—C125	1.392 (8)	C2—H2A	0.9900
C124—H124	0.9500	C2—H2B	0.9900
C125—C126	1.377 (7)	C3—C4	1.514 (9)
C125—H125	0.9500	C3—H3A	0.9900
C126—H126	0.9500	C3—H3B	0.9900
C211—C212	1.384 (7)	C4—H4A	0.9900
C211—C216	1.387 (7)	C4—H4B	0.9900
C212—C213	1.386 (7)
Cl2—Pt1—Cl1	89.70 (4)	C214—C213—H213	119.5
Cl2—Pt1—Se1	173.04 (3)	C212—C213—H213	119.5
Cl1—Pt1—Se1	83.49 (3)	C215—C214—C213	119.8 (5)
Cl2—Pt1—Se2	93.37 (3)	C215—C214—H214	120.1
Cl1—Pt1—Se2	175.00 (3)	C213—C214—H214	120.1
Se1—Pt1—Se2	93.52 (2)	C214—C215—C216	120.3 (5)
C121—Se1—C111	96.79 (19)	C214—C215—H215	119.8
C121—Se1—Pt1	109.38 (14)	C216—C215—H215	119.8
C111—Se1—Pt1	106.35 (15)	C211—C216—C215	118.9 (5)
C211—Se2—C221	99.1 (2)	C211—C216—H216	120.5
C211—Se2—Pt1	104.37 (14)	C215—C216—H216	120.5
C221—Se2—Pt1	106.98 (14)	C222—C221—C226	121.0 (5)
C112—C111—C116	121.6 (4)	C222—C221—Se2	123.5 (4)
C112—C111—Se1	115.2 (4)	C226—C221—Se2	115.5 (4)
C116—C111—Se1	123.2 (4)	C223—C222—C221	119.6 (5)
C111—C112—C113	118.8 (5)	C223—C222—H222	120.2
C111—C112—H112	120.6	C221—C222—H222	120.2
C113—C112—H112	120.6	C222—C223—C224	119.9 (5)
C114—C113—C112	120.5 (5)	C222—C223—H223	120.0
C114—C113—H113	119.7	C224—C223—H223	120.0
C112—C113—H113	119.7	C225—C224—C223	120.1 (5)
C113—C114—C115	119.9 (5)	C225—C224—H224	119.9
C113—C114—H114	120.1	C223—C224—H224	119.9
C115—C114—H114	120.1	C224—C225—C226	120.7 (5)
C114—C115—C116	121.2 (5)	C224—C225—H225	119.6
C114—C115—H115	119.4	C226—C225—H225	119.6
C116—C115—H115	119.4	C221—C226—C225	118.6 (5)
C111—C116—C115	118.0 (5)	C221—C226—H226	120.7
C111—C116—H116	121.0	C225—C226—H226	120.7
C115—C116—H116	121.0	C1—O1—C4	107.3 (5)
C122—C121—C126	121.4 (4)	O1—C1—C2	107.1 (6)
C122—C121—Se1	122.6 (3)	O1—C1—H1A	110.3
C126—C121—Se1	116.0 (4)	C2—C1—H1A	110.3
C121—C122—C123	119.4 (5)	O1—C1—H1B	110.3
C121—C122—H122	120.3	C2—C1—H1B	110.3
C123—C122—H122	120.3	H1A—C1—H1B	108.6
C124—C123—C122	120.2 (5)	C1—C2—C3	103.0 (6)
C124—C123—H123	119.9	C1—C2—H2A	111.2
C122—C123—H123	119.9	C3—C2—H2A	111.2
C123—C124—C125	119.3 (5)	C1—C2—H2B	111.2
C123—C124—H124	120.4	C3—C2—H2B	111.2
C125—C124—H124	120.4	H2A—C2—H2B	109.1
C126—C125—C124	121.5 (5)	C4—C3—C2	104.7 (6)
C126—C125—H125	119.2	C4—C3—H3A	110.8
C124—C125—H125	119.2	C2—C3—H3A	110.8
C125—C126—C121	118.2 (5)	C4—C3—H3B	110.8
C125—C126—H126	120.9	C2—C3—H3B	110.8
C121—C126—H126	120.9	H3A—C3—H3B	108.9
C212—C211—C216	121.6 (4)	O1—C4—C3	107.9 (5)
C212—C211—Se2	121.1 (4)	O1—C4—H4A	110.1
C216—C211—Se2	117.3 (4)	C3—C4—H4A	110.1
C211—C212—C213	118.4 (5)	O1—C4—H4B	110.1
C211—C212—H212	120.8	C3—C4—H4B	110.1
C213—C212—H212	120.8	H4A—C4—H4B	108.4
C214—C213—C212	120.9 (5)
Cl1—Pt1—Se1—C121	170.41 (15)	Se1—C121—C126—C125	−178.9 (4)
Se2—Pt1—Se1—C121	−13.61 (14)	C221—Se2—C211—C212	−87.5 (4)
Cl1—Pt1—Se1—C111	66.89 (14)	Pt1—Se2—C211—C212	22.8 (4)
Se2—Pt1—Se1—C111	−117.13 (14)	C221—Se2—C211—C216	92.6 (4)
Cl2—Pt1—Se2—C211	−79.73 (15)	Pt1—Se2—C211—C216	−157.1 (4)
Se1—Pt1—Se2—C211	99.29 (15)	C216—C211—C212—C213	1.1 (8)
Cl2—Pt1—Se2—C221	24.73 (14)	Se2—C211—C212—C213	−178.8 (4)
Se1—Pt1—Se2—C221	−156.25 (14)	C211—C212—C213—C214	−0.3 (8)
C121—Se1—C111—C112	77.6 (4)	C212—C213—C214—C215	−0.9 (8)
Pt1—Se1—C111—C112	−169.9 (3)	C213—C214—C215—C216	1.3 (8)
C121—Se1—C111—C116	−103.2 (4)	C212—C211—C216—C215	−0.7 (8)
Pt1—Se1—C111—C116	9.4 (4)	Se2—C211—C216—C215	179.2 (4)
C116—C111—C112—C113	−0.4 (8)	C214—C215—C216—C211	−0.5 (8)
Se1—C111—C112—C113	178.8 (4)	C211—Se2—C221—C222	16.3 (4)
C111—C112—C113—C114	−0.4 (8)	Pt1—Se2—C221—C222	−91.9 (4)
C112—C113—C114—C115	0.1 (9)	C211—Se2—C221—C226	−162.0 (4)
C113—C114—C115—C116	0.9 (9)	Pt1—Se2—C221—C226	89.8 (4)
C112—C111—C116—C115	1.4 (8)	C226—C221—C222—C223	−2.7 (8)
Se1—C111—C116—C115	−177.8 (4)	Se2—C221—C222—C223	179.1 (4)
C114—C115—C116—C111	−1.6 (8)	C221—C222—C223—C224	1.9 (8)
C111—Se1—C121—C122	41.3 (4)	C222—C223—C224—C225	−0.3 (8)
Pt1—Se1—C121—C122	−68.8 (4)	C223—C224—C225—C226	−0.5 (9)
C111—Se1—C121—C126	−138.4 (4)	C222—C221—C226—C225	1.8 (8)
Pt1—Se1—C121—C126	111.6 (3)	Se2—C221—C226—C225	−179.8 (4)
C126—C121—C122—C123	−0.7 (7)	C224—C225—C226—C221	−0.2 (8)
Se1—C121—C122—C123	179.7 (4)	C4—O1—C1—C2	32.2 (8)
C121—C122—C123—C124	−0.3 (7)	O1—C1—C2—C3	−29.5 (9)
C122—C123—C124—C125	0.5 (8)	C1—C2—C3—C4	15.7 (9)
C123—C124—C125—C126	0.3 (8)	C1—O1—C4—C3	−21.4 (8)
C124—C125—C126—C121	−1.2 (8)	C2—C3—C4—O1	2.4 (9)
C122—C121—C126—C125	1.4 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C216—H216···O1^i	0.95	2.47	3.384 (7)	163
C226—H226···Cl1^ii	0.95	2.77	3.667 (5)	158

Symmetry codes: (i) x−1, y, z; (ii) −x, −y, −z.