Download citation
Download citation
link to html
In the title compound, [PtI2(C9H21P)2], the PtII atom occupies an inversion centre and Ci mol­ecular symmetry results, with trans arrangements of iodo and of triisopropyl­phosphino ligands completing a square-planar coordination. The crystal packing reveals weak C—H...I inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806030996/kp2046sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806030996/kp2046Isup2.hkl
Contains datablock I

CCDC reference: 621398

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.021
  • wR factor = 0.025
  • Data-to-parameter ratio = 28.3

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Pt1 - I1 .. 20.85 su
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 0 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: COLLECT (Nonius, 1997-2001).; cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO/SCALEPACK; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: CRYSTALS.

trans-Diiodobis(triisopropylphosphino)platinum(II) top
Crystal data top
[PtI2(C9H21P)2]F(000) = 728
Mr = 769.38Dx = 2.068 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 7093 reflections
a = 8.0337 (1) Åθ = 3–30°
b = 9.2664 (1) ŵ = 8.31 mm1
c = 16.6207 (2) ÅT = 173 K
β = 93.2395 (8)°Plate, orange
V = 1235.33 (3) Å30.22 × 0.20 × 0.10 mm
Z = 2
Data collection top
Nonius KappaCCD
diffractometer
3028 reflections with I > 3σ(I)
Graphite monochromatorRint = 0.032
φ and ω scansθmax = 30.0°, θmin = 3.3°
Absorption correction: multi-scan
DENZO/SCALEPACK (Otwinowski & Minor, 1997)
h = 1111
Tmin = 0.19, Tmax = 0.44k = 1213
13720 measured reflectionsl = 2323
3616 independent reflections
Refinement top
Refinement on FPrimary atom site location: structure-invariant direct methods
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.021H-atom parameters constrained
wR(F2) = 0.025 w = [1-(Fo-Fc)2/36σ2(F)]2/[0.408To(x) + 0.241T1(x) + 0.196T2(x)]
where Ti are the Chebychev polynomials and x = Fc/Fmax (Prince, 1982; Watkin, 1994)
S = 1.03(Δ/σ)max = 0.000192
3028 reflectionsΔρmax = 0.78 e Å3
107 parametersΔρmin = 1.84 e Å3
0 restraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pt10.00000.00000.00000.0170
I10.08398 (3)0.22618 (2)0.087214 (13)0.0361
P10.13494 (8)0.15683 (8)0.09604 (4)0.0180
C10.0194 (4)0.2310 (3)0.16425 (17)0.0241
C20.1436 (4)0.3380 (4)0.1242 (2)0.0370
C30.1107 (4)0.1069 (4)0.2026 (2)0.0337
C40.2366 (4)0.3173 (3)0.05228 (19)0.0243
C50.3265 (4)0.4177 (4)0.1133 (2)0.0332
C60.3499 (5)0.2785 (4)0.0155 (2)0.0387
C70.2892 (4)0.0694 (3)0.16806 (19)0.0264
C80.3391 (5)0.1501 (4)0.2464 (2)0.0411
C90.4436 (5)0.0205 (5)0.1253 (3)0.0438
H110.04130.28230.20660.0276*
H210.21910.37250.16250.0437*
H220.08400.41790.10300.0437*
H230.20530.28970.08100.0437*
H310.19060.14410.23800.0411*
H320.03120.04790.23270.0411*
H330.16690.05010.16120.0411*
H410.14840.37390.02690.0311*
H510.37600.49610.08550.0415*
H520.24800.45500.14940.0415*
H530.41200.36500.14340.0415*
H610.39960.36460.03550.0483*
H620.43590.21460.00530.0483*
H630.28600.23180.05850.0483*
H710.23700.01820.18430.0341*
H810.41880.09440.27840.0518*
H820.38700.24170.23390.0518*
H830.24130.16490.27590.0518*
H910.52180.02430.16330.0572*
H920.49440.10300.10200.0572*
H930.41120.04720.08370.0572*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.02293 (7)0.01403 (7)0.01399 (7)0.00112 (5)0.00021 (5)0.00031 (4)
I10.05880 (14)0.01869 (9)0.02881 (11)0.00093 (9)0.01575 (9)0.00483 (7)
P10.0192 (3)0.0174 (3)0.0174 (3)0.0005 (2)0.0010 (2)0.0010 (2)
C10.0244 (12)0.0257 (13)0.0223 (13)0.0006 (10)0.0017 (10)0.0084 (10)
C20.0316 (15)0.0373 (18)0.0423 (19)0.0091 (14)0.0050 (14)0.0043 (15)
C30.0331 (15)0.0388 (18)0.0303 (16)0.0068 (14)0.0120 (12)0.0044 (13)
C40.0234 (12)0.0215 (12)0.0284 (14)0.0038 (10)0.0032 (10)0.0008 (11)
C50.0304 (15)0.0241 (15)0.0448 (19)0.0082 (12)0.0006 (13)0.0039 (13)
C60.0372 (16)0.0425 (19)0.0377 (18)0.0025 (15)0.0150 (14)0.0022 (15)
C70.0247 (13)0.0262 (14)0.0272 (14)0.0017 (11)0.0077 (11)0.0010 (11)
C80.052 (2)0.0368 (19)0.0318 (17)0.0063 (16)0.0203 (16)0.0016 (14)
C90.0291 (16)0.048 (2)0.054 (2)0.0101 (15)0.0016 (16)0.0056 (18)
Geometric parameters (Å, º) top
Pt1—P1i2.3748 (7)C4—C61.531 (4)
Pt1—I1i2.6150 (2)C4—H410.959
Pt1—I12.6150 (2)C5—H510.959
Pt1—P12.3748 (7)C5—H520.959
P1—C11.859 (3)C5—H530.959
P1—C41.864 (3)C6—H610.959
P1—C71.859 (3)C6—H620.959
C1—C21.531 (5)C6—H630.959
C1—C31.523 (5)C7—C81.535 (5)
C1—H110.959C7—C91.532 (5)
C2—H210.959C7—H710.959
C2—H220.959C8—H810.959
C2—H230.959C8—H820.959
C3—H310.959C8—H830.959
C3—H320.959C9—H910.959
C3—H330.959C9—H920.959
C4—C51.528 (4)C9—H930.959
P1i—Pt1—I1i88.614 (17)P1—C4—H41106.2
P1i—Pt1—I191.386 (17)C5—C4—H41105.6
I1i—Pt1—I1179.996C6—C4—H41105.1
P1i—Pt1—P1179.995C4—C5—H51109.5
I1i—Pt1—P191.386 (17)C4—C5—H52109.4
I1—Pt1—P188.614 (17)H51—C5—H52109.5
Pt1—P1—C1109.96 (9)C4—C5—H53109.5
Pt1—P1—C4114.80 (10)H51—C5—H53109.5
C1—P1—C4105.36 (14)H52—C5—H53109.5
Pt1—P1—C7115.36 (10)C4—C6—H61109.6
C1—P1—C7102.24 (14)C4—C6—H62109.0
C4—P1—C7107.95 (14)H61—C6—H62109.5
P1—C1—C2114.5 (2)C4—C6—H63109.8
P1—C1—C3109.2 (2)H61—C6—H63109.5
C2—C1—C3110.7 (3)H62—C6—H63109.5
P1—C1—H11107.5P1—C7—C8117.8 (2)
C2—C1—H11106.9P1—C7—C9111.0 (2)
C3—C1—H11107.7C8—C7—C9110.9 (3)
C1—C2—H21110.4P1—C7—H71105.3
C1—C2—H22109.4C8—C7—H71105.7
H21—C2—H22109.5C9—C7—H71105.0
C1—C2—H23108.6C7—C8—H81110.0
H21—C2—H23109.5C7—C8—H82109.7
H22—C2—H23109.5H81—C8—H82109.5
C1—C3—H31109.9C7—C8—H83108.7
C1—C3—H32109.1H81—C8—H83109.5
H31—C3—H32109.5H82—C8—H83109.5
C1—C3—H33109.4C7—C9—H91109.9
H31—C3—H33109.5C7—C9—H92109.0
H32—C3—H33109.5H91—C9—H92109.5
P1—C4—C5115.3 (2)C7—C9—H93109.5
P1—C4—C6113.0 (2)H91—C9—H93109.5
C5—C4—C6110.7 (3)H92—C9—H93109.5
Symmetry code: (i) x, y, z.
 

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