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The title complex, [PtCl4(C12H24N4O2)] or trans-[PtCl4{NH= C(Et)ON=CMe2}2], possesses a crystallographically imposed centre of symmetry. The coordination polyhedron of the complex is a slightly distorted octa­hedron. The two imino ligands are mutually trans. This configuration is stabilized by intra­molecular N—H...N hydrogen bonding between the imine H atom and the oxime N atom.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806047660/bx2038sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806047660/bx2038Isup2.hkl
Contains datablock I

CCDC reference: 629459

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.031
  • wR factor = 0.092
  • Data-to-parameter ratio = 19.7

checkCIF/PLATON results

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Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.213 0.461 Tmin and Tmax expected: 0.171 0.463 RR = 1.252 Please check that your absorption correction is appropriate. PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.25
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 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 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 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 (Bruker, 2004); cell refinement: DENZO and SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97.

trans-Bis[(E)-acetone O-propanimidoyloxime-κN']tetrachloroplatinum(IV) top
Crystal data top
[PtCl4(C12H24N4O2)]F(000) = 1144
Mr = 593.24Dx = 2.006 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 13900 reflections
a = 18.0119 (9) Åθ = 3.0–27.4°
b = 6.8727 (4) ŵ = 7.70 mm1
c = 16.4295 (6) ÅT = 120 K
β = 105.059 (3)°Block, yellow
V = 1963.97 (17) Å30.27 × 0.20 × 0.10 mm
Z = 4
Data collection top
Nonius KappaCCD area-detector
diffractometer
2223 independent reflections
Radiation source: fine-focus sealed tube1852 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromatorRint = 0.061
Detector resolution: 9 pixels mm-1θmax = 27.4°, θmin = 3.0°
φ scans, and ω scans with κ offseth = 2323
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
k = 88
Tmin = 0.214, Tmax = 0.461l = 2021
13900 measured reflections
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)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H atoms treated by a mixture of independent and constrained refinement
S = 1.11 w = 1/[σ2(Fo2) + (0.0546P)2 + 4.3124P]
where P = (Fo2 + 2Fc2)/3
2223 reflections(Δ/σ)max < 0.001
113 parametersΔρmax = 2.19 e Å3
0 restraintsΔρmin = 1.81 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
Pt10.75000.25000.50000.02485 (12)
Cl10.82730 (7)0.51297 (19)0.48819 (8)0.0323 (3)
Cl20.83276 (7)0.04814 (18)0.45238 (7)0.0325 (3)
O20.6055 (2)0.3608 (6)0.2539 (2)0.0324 (8)
N10.6845 (3)0.2620 (6)0.3795 (3)0.0285 (10)
H10.669 (4)0.148 (12)0.360 (5)0.05 (2)*
N20.5921 (2)0.1514 (7)0.2396 (3)0.0316 (9)
C10.6533 (3)0.3988 (8)0.3299 (3)0.0293 (10)
C20.6645 (3)0.6120 (7)0.3436 (3)0.0319 (10)
H2A0.68920.63750.40380.038*
H2B0.61390.67800.32870.038*
C30.7147 (4)0.6941 (9)0.2898 (4)0.0388 (12)
H3A0.76530.63100.30550.058*
H3B0.72100.83460.29930.058*
H3C0.69020.66930.23010.058*
C40.5506 (3)0.1220 (8)0.1647 (3)0.0321 (11)
C50.5204 (4)0.2739 (8)0.0985 (4)0.0380 (14)
H5A0.52330.40220.12510.057*
H5B0.46670.24460.06960.057*
H5C0.55130.27390.05740.057*
C60.5324 (3)0.0844 (8)0.1420 (3)0.0377 (12)
H6A0.55990.12560.10060.057*
H6B0.47690.09860.11760.057*
H6C0.54840.16550.19250.057*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.02603 (17)0.02780 (19)0.02122 (18)0.00026 (8)0.00705 (11)0.00101 (8)
Cl10.0321 (6)0.0338 (7)0.0310 (6)0.0037 (5)0.0082 (4)0.0008 (5)
Cl20.0338 (6)0.0368 (7)0.0280 (6)0.0049 (5)0.0101 (5)0.0037 (5)
O20.0362 (19)0.033 (2)0.0264 (18)0.0010 (15)0.0053 (15)0.0004 (15)
N10.031 (2)0.031 (3)0.023 (2)0.0011 (16)0.0072 (19)0.0019 (16)
N20.033 (2)0.032 (3)0.031 (2)0.0033 (18)0.0102 (18)0.0009 (19)
C10.026 (2)0.040 (3)0.022 (2)0.0019 (19)0.0074 (19)0.004 (2)
C20.032 (2)0.034 (3)0.029 (2)0.0040 (19)0.007 (2)0.0053 (19)
C30.047 (3)0.036 (3)0.034 (3)0.002 (3)0.011 (2)0.002 (3)
C40.025 (2)0.047 (3)0.027 (2)0.002 (2)0.010 (2)0.000 (2)
C50.038 (3)0.049 (4)0.023 (3)0.003 (2)0.003 (2)0.000 (2)
C60.038 (3)0.042 (3)0.031 (3)0.006 (2)0.007 (2)0.002 (2)
Geometric parameters (Å, º) top
Pt1—N1i2.026 (5)C2—H2A0.9900
Pt1—N12.026 (5)C2—H2B0.9900
Pt1—Cl2i2.3161 (11)C3—H3A0.9800
Pt1—Cl22.3162 (11)C3—H3B0.9800
Pt1—Cl12.3201 (12)C3—H3C0.9800
Pt1—Cl1i2.3201 (12)C4—C61.482 (7)
O2—C11.345 (6)C4—C51.505 (7)
O2—N21.468 (7)C5—H5A0.9800
N1—C11.275 (7)C5—H5B0.9800
N1—H10.86 (8)C5—H5C0.9800
N2—C41.279 (7)C6—H6A0.9800
C1—C21.488 (7)C6—H6B0.9800
C2—C31.527 (8)C6—H6C0.9800
N1i—Pt1—N1179.998 (1)C3—C2—H2A109.5
N1i—Pt1—Cl2i87.52 (14)C1—C2—H2B109.5
N1—Pt1—Cl2i92.48 (14)C3—C2—H2B109.5
N1i—Pt1—Cl292.47 (14)H2A—C2—H2B108.1
N1—Pt1—Cl287.52 (14)C2—C3—H3A109.5
Cl2i—Pt1—Cl2179.999 (2)C2—C3—H3B109.5
N1i—Pt1—Cl184.47 (13)H3A—C3—H3B109.5
N1—Pt1—Cl195.53 (13)C2—C3—H3C109.5
Cl2i—Pt1—Cl190.83 (4)H3A—C3—H3C109.5
Cl2—Pt1—Cl189.17 (4)H3B—C3—H3C109.5
N1i—Pt1—Cl1i95.53 (13)N2—C4—C6115.5 (5)
N1—Pt1—Cl1i84.47 (13)N2—C4—C5126.7 (5)
Cl2i—Pt1—Cl1i89.17 (4)C6—C4—C5117.8 (4)
Cl2—Pt1—Cl1i90.83 (4)C4—C5—H5A109.5
Cl1—Pt1—Cl1i180.0C4—C5—H5B109.5
C1—O2—N2112.2 (4)H5A—C5—H5B109.5
C1—N1—Pt1134.6 (4)C4—C5—H5C109.5
C1—N1—H1113 (5)H5A—C5—H5C109.5
Pt1—N1—H1112 (5)H5B—C5—H5C109.5
C4—N2—O2109.9 (4)C4—C6—H6A109.5
N1—C1—O2121.3 (5)C4—C6—H6B109.5
N1—C1—C2127.5 (5)H6A—C6—H6B109.5
O2—C1—C2111.1 (4)C4—C6—H6C109.5
C1—C2—C3110.7 (4)H6A—C6—H6C109.5
C1—C2—H2A109.5H6B—C6—H6C109.5
Symmetry code: (i) x+3/2, y+1/2, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···N20.86 (8)2.10 (7)2.577 (7)114 (6)
 

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