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In the title compound [Pt(C17H22N3O4)I(I2)]·0.5CH2Cl2, the coordination environment of the PtII centre is distorted square-pyramidal and is defined by two neutral N atoms and an anionic C atom from the mono-anionic ligand, an iodide anion, and an additional η1-coordinated I2 mol­ecule. Inter­molecular C—H...O contacts result in a dimeric structure. The asymmetric unit of (I) consists of two independent [PtI(C17H22N3O4)(I2)] mol­ecules and a CH2Cl2 solvent mol­ecule

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807013748/fj2006sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807013748/fj2006Isup2.hkl
Contains datablock I

CCDC reference: 647201

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.006 Å
  • Disorder in main residue
  • R factor = 0.024
  • wR factor = 0.054
  • Data-to-parameter ratio = 22.4

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT201_ALERT_2_A Isotropic non-H Atoms in Main Residue(s) ....... 22
Author Response: Due to the disorder of one of the metal complexes the disordered C, N and O atoms are very close to each other and could thus only be refined isotropically.

Alert level B PLAT301_ALERT_3_B Main Residue Disorder ......................... 28.00 Perc. PLAT432_ALERT_2_B Short Inter X...Y Contact C173 .. C173 .. 3.04 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.57 Ratio PLAT432_ALERT_2_C Short Inter X...Y Contact O31 .. C141 .. 2.99 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C141 .. C141 .. 3.16 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O43 .. C173 .. 3.01 Ang.
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 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 0 ALERT type 5 Informative message, check

Computing details top

Data collection: COLLECT (Nonius, 1999); cell refinement: DIRAX (Duisenberg, 1992); data reduction: EVALCCD (Duisenberg et al., 2003) and SORTAV (Blessing, 1987); program(s) used to solve structure: DIRDIF97 (Beurskens et al., 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: manual editing of the SHELXL97 output.

{2,6-Bis[(dimethylamino-κ2N,N')methyl]-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy] carbonyl}phenyl-κC}(diiodine)iodoplatinum(II) dichloromethane hemisolvate top
Crystal data top
[PtI(C17H22N3O4)(I2)]·0.5CH2Cl2Z = 4
Mr = 950.63F(000) = 1740
Triclinic, P1Dx = 2.516 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.7012 (1) ÅCell parameters from 102 reflections
b = 15.1862 (2) Åθ = 2.5–22.1°
c = 19.8391 (4) ŵ = 9.41 mm1
α = 99.2137 (14)°T = 150 K
β = 90.7250 (15)°Needle, dark red
γ = 103.7589 (13)°0.42 × 0.09 × 0.06 mm
V = 2509.90 (7) Å3
Data collection top
Nonius KappaCCD area-detector
diffractometer
11455 independent reflections
Radiation source: rotating anode8859 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
φ and ω scansθmax = 27.5°, θmin = 1.6°
Absorption correction: analytical
(de Meulenaer & Tompa, 1965)
h = 1111
Tmin = 0.14, Tmax = 0.63k = 1919
35716 measured reflectionsl = 025
Refinement top
Refinement on F2Primary atom site location: heavy-atom method
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.024Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.054H-atom parameters constrained
S = 0.94 w = 1/[σ2(Fo2)]
11455 reflections(Δ/σ)max = 0.002
511 parametersΔρmax = 3.03 e Å3
162 restraintsΔρmin = 3.35 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*/UeqOcc. (<1)
Pt10.403218 (19)0.509735 (11)0.301129 (8)0.01628 (4)
I110.46577 (4)0.64528 (2)0.226128 (17)0.02933 (7)
I210.22390 (3)0.580499 (19)0.404745 (14)0.02004 (6)
I310.05150 (4)0.64807 (2)0.513372 (15)0.02557 (7)
N110.6181 (4)0.5521 (2)0.36047 (18)0.0205 (8)
N210.2035 (4)0.4249 (2)0.24287 (18)0.0195 (8)
O110.4516 (4)0.1589 (2)0.47396 (18)0.0340 (8)
O210.2112 (4)0.1018 (2)0.41800 (16)0.0285 (8)
O310.1488 (5)0.0646 (3)0.55085 (18)0.0399 (9)
O410.2943 (5)0.0461 (3)0.34078 (18)0.0409 (9)
N310.2158 (5)0.0219 (2)0.44179 (18)0.0273 (9)
C110.3743 (5)0.4058 (3)0.3494 (2)0.0168 (9)
C210.4885 (5)0.4067 (3)0.3988 (2)0.0180 (9)
C310.4782 (5)0.3282 (3)0.4271 (2)0.0202 (9)
H310.55850.32530.45900.024*
C410.3487 (5)0.2535 (3)0.4084 (2)0.0192 (9)
C510.2295 (5)0.2548 (3)0.3605 (2)0.0204 (9)
H510.14170.20330.34860.024*
C610.2426 (5)0.3322 (3)0.3310 (2)0.0195 (9)
C710.6065 (5)0.4972 (3)0.4188 (2)0.0222 (10)
H71A0.71140.48680.42960.027*
H71B0.57310.53220.46020.027*
C810.7390 (5)0.5247 (3)0.3145 (2)0.0284 (11)
H81A0.70400.45910.29550.043*
H81B0.84030.53660.34050.043*
H81C0.75210.56060.27710.043*
C910.6728 (5)0.6518 (3)0.3891 (2)0.0265 (10)
H91A0.59390.67030.41940.040*
H91B0.68630.68750.35170.040*
H91C0.77410.66310.41510.040*
C1010.1222 (5)0.3523 (3)0.2835 (2)0.0240 (10)
H10A0.07010.29530.25190.029*
H10B0.03970.37420.31060.029*
C1110.2680 (6)0.3783 (3)0.1813 (2)0.0287 (11)
H11A0.34860.34890.19590.043*
H11B0.31580.42390.15300.043*
H11C0.18190.33160.15470.043*
C1210.0829 (5)0.4696 (3)0.2191 (2)0.0261 (10)
H12A0.03870.50040.25870.039*
H12B0.00210.42290.19180.039*
H12C0.13280.51500.19100.039*
C1310.3506 (5)0.1700 (3)0.43748 (16)0.0241 (10)
C1410.1845 (6)0.0088 (3)0.5079 (2)0.0300 (11)
C1510.2005 (7)0.0872 (3)0.5113 (3)0.0391 (13)
H15A0.09900.12580.52300.047*
H15B0.28350.08560.54640.047*
C1610.2459 (7)0.1254 (3)0.4406 (2)0.0380 (13)
H16A0.34860.14230.44360.046*
H16B0.16410.18060.41970.046*
C1710.2579 (6)0.0497 (3)0.3989 (2)0.0287 (11)
Pt20.642590 (19)1.053834 (12)0.207398 (8)0.01809 (4)
I120.71756 (4)1.19710 (3)0.310314 (18)0.04301 (10)
I220.87414 (3)1.10763 (2)0.114062 (15)0.02397 (7)
I321.09867 (4)1.15734 (3)0.015155 (17)0.03413 (8)
N120.4626 (4)1.0950 (3)0.1581 (2)0.0271 (9)
N220.7647 (5)0.9690 (3)0.2481 (2)0.0295 (9)
O120.2079 (7)0.6879 (4)0.0223 (3)0.0301 (15)*0.566 (6)
O220.4165 (7)0.6330 (4)0.0031 (3)0.0349 (16)*0.566 (6)
O320.3750 (9)0.5790 (5)0.1395 (3)0.0392 (19)*0.566 (6)
O420.2074 (11)0.5083 (6)0.0640 (3)0.053 (2)*0.566 (6)
N320.3302 (8)0.5499 (4)0.0328 (3)0.0294 (18)*0.566 (6)
C120.5611 (13)0.9447 (5)0.1372 (5)0.018 (3)*0.566 (6)
C220.4401 (10)0.9468 (5)0.0920 (4)0.016 (2)*0.566 (6)
C320.3683 (9)0.8658 (5)0.0489 (4)0.0196 (18)*0.566 (6)
H320.27970.86360.01960.023*0.566 (6)
C420.4259 (9)0.7877 (4)0.0485 (3)0.0186 (17)*0.566 (6)
C520.5502 (9)0.7867 (4)0.0941 (4)0.0172 (17)*0.566 (6)
H520.58620.73240.09440.021*0.566 (6)
C620.6187 (10)0.8668 (5)0.1384 (4)0.021 (2)*0.566 (6)
C720.4105 (12)1.0398 (6)0.0931 (5)0.024 (3)*0.566 (6)
H72A0.46851.06910.05670.029*0.566 (6)
H72B0.29601.03410.08450.029*0.566 (6)
C820.3309 (17)1.0891 (9)0.2079 (6)0.033 (4)*0.566 (6)
H82A0.37191.12780.25180.049*0.566 (6)
H82B0.29191.02520.21450.049*0.566 (6)
H82C0.24401.11060.18940.049*0.566 (6)
C920.5125 (13)1.1980 (7)0.1523 (6)0.027 (3)*0.566 (6)
H92A0.54861.23440.19760.041*0.566 (6)
H92B0.42181.21700.13480.041*0.566 (6)
H92C0.59871.20810.12100.041*0.566 (6)
C1020.7626 (10)0.8850 (6)0.1868 (4)0.023 (2)*0.566 (6)
H10C0.85970.89970.16110.028*0.566 (6)
H10D0.76260.82890.20620.028*0.566 (6)
C1120.6585 (11)0.9202 (8)0.2976 (5)0.023 (3)*0.566 (6)
H11D0.54950.89960.27780.034*0.566 (6)
H11E0.66140.96250.34070.034*0.566 (6)
H11F0.69580.86690.30640.034*0.566 (6)
C1220.9239 (10)0.9999 (7)0.2774 (5)0.026 (2)*0.566 (6)
H12D0.99571.02110.24250.039*0.566 (6)
H12E0.95480.94900.29420.039*0.566 (6)
H12F0.92971.05060.31540.039*0.566 (6)
C1320.3341 (7)0.7011 (4)0.0067 (2)0.026 (2)*0.566 (6)
C1420.3078 (11)0.5293 (5)0.1025 (3)0.025 (2)*0.566 (6)
C1520.1842 (15)0.4384 (5)0.1183 (4)0.024 (4)*0.566 (6)
H15C0.22880.39100.14580.029*0.566 (6)
H15D0.09100.44550.14420.029*0.566 (6)
C1620.1371 (15)0.4114 (6)0.0491 (4)0.033 (4)*0.566 (6)
H16C0.02130.40150.04480.040*0.566 (6)
H16D0.16830.35440.04340.040*0.566 (6)
C1720.2253 (12)0.4913 (6)0.0031 (4)0.036 (3)*0.566 (6)
O130.5078 (10)0.6249 (5)0.0126 (4)0.035 (2)*0.434 (6)
O230.2804 (8)0.6651 (4)0.0089 (3)0.029 (2)*0.434 (6)
O330.3159 (10)0.5897 (5)0.1470 (4)0.0251 (19)*0.434 (6)
O430.1521 (11)0.5200 (6)0.0609 (3)0.027 (2)*0.434 (6)
N330.2299 (10)0.5734 (5)0.0396 (3)0.029 (2)*0.434 (6)
C130.5836 (16)0.9431 (7)0.1422 (7)0.014 (4)*0.434 (6)
C230.4639 (14)0.9318 (6)0.0925 (6)0.020 (3)*0.434 (6)
C330.4100 (12)0.8459 (5)0.0517 (5)0.021 (2)*0.434 (6)
H330.32390.83480.01900.025*0.434 (6)
C430.4844 (11)0.7767 (5)0.0597 (5)0.016 (2)*0.434 (6)
C530.6172 (12)0.7918 (5)0.1051 (4)0.019 (2)*0.434 (6)
H530.67330.74540.10610.022*0.434 (6)
C630.6638 (12)0.8749 (5)0.1477 (5)0.014 (2)*0.434 (6)
C730.4145 (17)1.0187 (7)0.0873 (6)0.028 (4)*0.434 (6)
H73A0.29841.00410.07780.034*0.434 (6)
H73B0.46601.04550.04850.034*0.434 (6)
C830.322 (2)1.0720 (12)0.1988 (8)0.033 (5)*0.434 (6)
H83A0.31111.01020.20980.049*0.434 (6)
H83B0.22761.07380.17250.049*0.434 (6)
H83C0.33551.11670.24120.049*0.434 (6)
C930.4865 (18)1.1826 (8)0.1374 (8)0.032 (4)*0.434 (6)
H93A0.58121.19330.11080.048*0.434 (6)
H93B0.50051.23060.17790.048*0.434 (6)
H93C0.39411.18420.10920.048*0.434 (6)
C1030.8006 (12)0.9036 (8)0.2004 (5)0.025 (3)*0.434 (6)
H10E0.81290.85050.22130.030*0.434 (6)
H10F0.90050.92870.17920.030*0.434 (6)
C1130.6587 (16)0.9406 (12)0.3028 (7)0.031 (5)*0.434 (6)
H11G0.64350.99540.33280.046*0.434 (6)
H11H0.70670.90410.32950.046*0.434 (6)
H11I0.55610.90350.28220.046*0.434 (6)
C1230.9245 (14)1.0290 (9)0.2904 (7)0.032 (3)*0.434 (6)
H12G0.89841.07470.32620.048*0.434 (6)
H12H0.99661.06040.25940.048*0.434 (6)
H12I0.97590.98840.31130.048*0.434 (6)
C1330.4337 (9)0.6833 (5)0.0193 (3)0.029 (3)*0.434 (6)
C1430.2580 (15)0.5424 (6)0.1063 (4)0.027 (3)*0.434 (6)
C1530.211 (2)0.4380 (6)0.1156 (5)0.027 (6)*0.434 (6)
H15E0.29960.41200.13350.033*0.434 (6)
H15F0.11780.41310.14800.033*0.434 (6)
C1630.172 (2)0.4136 (6)0.0448 (5)0.027 (4)*0.434 (6)
H16E0.06510.37150.04630.032*0.434 (6)
H16F0.25060.38400.02770.032*0.434 (6)
C1730.1764 (14)0.5049 (5)0.0003 (4)0.020 (3)*0.434 (6)
Cl140.0128 (2)0.74251 (14)0.28387 (10)0.0718 (6)
Cl240.0919 (2)0.78774 (14)0.15204 (11)0.0788 (6)
C140.1497 (8)0.7740 (6)0.2317 (5)0.087 (3)
H14A0.22130.83220.25470.105*
H14B0.21010.72590.22690.105*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.01702 (8)0.01702 (8)0.01532 (8)0.00420 (6)0.00201 (6)0.00402 (6)
I110.03107 (16)0.02853 (17)0.03265 (17)0.00724 (13)0.00562 (13)0.01739 (14)
I210.01929 (14)0.02156 (14)0.01844 (14)0.00452 (11)0.00167 (11)0.00152 (11)
I310.02824 (16)0.02567 (16)0.02202 (15)0.00764 (13)0.00549 (12)0.00023 (12)
N110.0201 (18)0.0184 (19)0.0213 (19)0.0010 (15)0.0007 (15)0.0039 (15)
N210.0195 (18)0.0204 (19)0.0198 (19)0.0072 (15)0.0020 (15)0.0035 (15)
O110.0314 (19)0.032 (2)0.041 (2)0.0054 (16)0.0075 (16)0.0185 (17)
O210.0327 (18)0.0182 (17)0.0349 (19)0.0018 (14)0.0080 (15)0.0130 (14)
O310.048 (2)0.042 (2)0.030 (2)0.0109 (19)0.0006 (17)0.0060 (18)
O410.052 (2)0.037 (2)0.035 (2)0.0107 (18)0.0065 (18)0.0097 (18)
N310.037 (2)0.018 (2)0.029 (2)0.0059 (17)0.0025 (18)0.0120 (17)
C110.019 (2)0.016 (2)0.017 (2)0.0070 (17)0.0044 (17)0.0036 (17)
C210.018 (2)0.023 (2)0.014 (2)0.0081 (18)0.0010 (17)0.0006 (17)
C310.018 (2)0.028 (2)0.017 (2)0.0092 (18)0.0016 (17)0.0051 (18)
C410.021 (2)0.018 (2)0.020 (2)0.0061 (18)0.0029 (18)0.0055 (18)
C510.022 (2)0.017 (2)0.021 (2)0.0030 (18)0.0018 (18)0.0034 (18)
C610.019 (2)0.020 (2)0.020 (2)0.0039 (17)0.0003 (17)0.0042 (18)
C710.024 (2)0.021 (2)0.019 (2)0.0007 (18)0.0061 (18)0.0074 (19)
C810.020 (2)0.034 (3)0.029 (3)0.006 (2)0.007 (2)0.002 (2)
C910.024 (2)0.022 (2)0.030 (3)0.0020 (19)0.002 (2)0.004 (2)
C1010.023 (2)0.020 (2)0.027 (2)0.0021 (18)0.0065 (19)0.0087 (19)
C1110.038 (3)0.028 (3)0.018 (2)0.010 (2)0.002 (2)0.001 (2)
C1210.023 (2)0.033 (3)0.026 (3)0.009 (2)0.0069 (19)0.014 (2)
C1310.024 (2)0.026 (2)0.022 (2)0.0039 (19)0.0015 (19)0.008 (2)
C1410.030 (3)0.031 (3)0.029 (3)0.004 (2)0.004 (2)0.012 (2)
C1510.050 (3)0.030 (3)0.040 (3)0.007 (3)0.007 (3)0.019 (2)
C1610.048 (3)0.028 (3)0.040 (3)0.010 (2)0.009 (3)0.012 (2)
C1710.031 (3)0.025 (3)0.028 (3)0.001 (2)0.004 (2)0.007 (2)
Pt20.01745 (8)0.01912 (9)0.01568 (8)0.00225 (6)0.00205 (6)0.00018 (6)
I120.0428 (2)0.0391 (2)0.03026 (18)0.00893 (16)0.01028 (15)0.01611 (15)
I220.02337 (15)0.02781 (16)0.02115 (15)0.00562 (12)0.00485 (12)0.00597 (12)
I320.03390 (18)0.0438 (2)0.02868 (18)0.01086 (15)0.01312 (14)0.01484 (15)
N120.025 (2)0.029 (2)0.030 (2)0.0075 (17)0.0059 (17)0.0093 (18)
N220.024 (2)0.043 (3)0.028 (2)0.0129 (19)0.0020 (17)0.015 (2)
Cl140.0626 (11)0.0717 (12)0.0772 (13)0.0114 (9)0.0189 (9)0.0446 (11)
Cl240.0728 (12)0.0665 (12)0.0905 (15)0.0079 (10)0.0499 (12)0.0035 (11)
C140.031 (3)0.073 (5)0.140 (8)0.023 (4)0.016 (4)0.048 (5)
Geometric parameters (Å, º) top
Pt1—C111.942 (4)C12—C221.383 (8)
Pt1—N212.103 (4)C12—C621.395 (7)
Pt1—N112.104 (4)C22—C321.384 (7)
Pt1—I112.6862 (3)C22—C721.492 (8)
Pt1—I212.8260 (3)C32—C421.393 (8)
I21—I312.8379 (4)C32—H320.9500
N11—C911.488 (6)C42—C521.405 (8)
N11—C811.491 (6)C42—C1321.480 (7)
N11—C711.522 (5)C52—C621.381 (7)
N21—C1211.488 (5)C52—H520.9500
N21—C1111.496 (6)C62—C1021.512 (8)
N21—C1011.515 (5)C72—H72A0.9900
O11—C1311.191 (5)C72—H72B0.9900
O21—N311.380 (4)C82—H82A0.9800
O21—C1311.398 (5)C82—H82B0.9800
O31—C1411.201 (5)C82—H82C0.9800
O41—C1711.206 (5)C92—H92A0.9800
N31—C1411.378 (5)C92—H92B0.9800
N31—C1711.393 (5)C92—H92C0.9800
C11—C211.383 (5)C102—H10C0.9900
C11—C611.395 (5)C102—H10D0.9900
C21—C311.383 (5)C112—H11D0.9800
C21—C711.498 (6)C112—H11E0.9800
C31—C411.394 (5)C112—H11F0.9800
C31—H310.9500C122—H12D0.9800
C41—C511.404 (5)C122—H12E0.9800
C41—C1311.478 (5)C122—H12F0.9800
C51—C611.377 (5)C142—C1521.519 (8)
C51—H510.9500C152—C1621.528 (7)
C61—C1011.515 (6)C152—H15C0.9900
C71—H71A0.9900C152—H15D0.9900
C71—H71B0.9900C162—C1721.506 (8)
C81—H81A0.9800C162—H16C0.9900
C81—H81B0.9800C162—H16D0.9900
C81—H81C0.9800O13—C1331.207 (8)
C91—H91A0.9800O23—C1331.387 (7)
C91—H91B0.9800O23—N331.391 (7)
C91—H91C0.9800O33—C1431.203 (7)
C101—H10A0.9900O43—C1731.217 (7)
C101—H10B0.9900N33—C1431.376 (7)
C111—H11A0.9800N33—C1731.403 (7)
C111—H11B0.9800C13—C231.386 (8)
C111—H11C0.9800C13—C631.396 (8)
C121—H12A0.9800C23—C331.393 (8)
C121—H12B0.9800C23—C731.500 (9)
C121—H12C0.9800C33—C431.386 (8)
C141—C1511.509 (6)C33—H330.9500
C151—C1611.524 (6)C43—C531.407 (8)
C151—H15A0.9900C43—C1331.476 (8)
C151—H15B0.9900C53—C631.370 (8)
C161—C1711.504 (6)C53—H530.9500
C161—H16A0.9900C63—C1031.509 (9)
C161—H16B0.9900C73—H73A0.9900
Pt2—C131.908 (9)C73—H73B0.9900
Pt2—C121.966 (8)C83—H83A0.9800
Pt2—N222.098 (4)C83—H83B0.9800
Pt2—N122.103 (4)C83—H83C0.9800
Pt2—I122.6827 (4)C93—H93A0.9800
Pt2—I222.8198 (3)C93—H93B0.9800
I22—I322.8472 (4)C93—H93C0.9800
N12—C931.424 (13)C103—H10E0.9900
N12—C721.424 (10)C103—H10F0.9900
N12—C831.475 (14)C113—H11G0.9800
N12—C821.518 (12)C113—H11H0.9800
N12—C921.544 (10)C113—H11I0.9800
N12—C731.650 (12)C123—H12G0.9800
N22—C1031.354 (11)C123—H12H0.9800
N22—C1221.435 (9)C123—H12I0.9800
N22—C1131.483 (13)C143—C1531.520 (8)
N22—C1121.517 (10)C153—C1631.532 (8)
N22—C1021.612 (9)C153—H15E0.9900
N22—C1231.610 (12)C153—H15F0.9900
O12—C1321.191 (7)C163—C1731.515 (8)
O22—N321.384 (7)C163—H16E0.9900
O22—C1321.385 (7)C163—H16F0.9900
O32—C1421.194 (7)Cl14—C141.781 (9)
O42—C1721.213 (7)Cl24—C141.711 (9)
N32—C1421.368 (7)C14—H14A0.9900
N32—C1721.402 (7)C14—H14B0.9900
C11—Pt1—N2182.15 (15)C22—C32—H32120.0
C11—Pt1—N1182.09 (15)C42—C32—H32120.0
N21—Pt1—N11161.06 (14)C32—C42—C52121.6 (5)
C11—Pt1—I11173.70 (12)C32—C42—C132117.2 (6)
N21—Pt1—I1198.26 (10)C52—C42—C132120.3 (6)
N11—Pt1—I1196.26 (10)C62—C52—C42118.2 (6)
C11—Pt1—I2184.54 (12)C62—C52—H52120.9
N21—Pt1—I2194.22 (10)C42—C52—H52120.9
N11—Pt1—I2194.68 (10)C52—C62—C12119.3 (7)
I11—Pt1—I21101.675 (11)C52—C62—C102127.7 (6)
Pt1—I21—I31177.248 (14)C12—C62—C102112.8 (6)
C91—N11—C81109.0 (3)N12—C72—C22109.4 (6)
C91—N11—C71108.9 (3)N12—C72—H72A109.8
C81—N11—C71107.4 (3)C22—C72—H72A109.8
C91—N11—Pt1117.0 (3)N12—C72—H72B109.8
C81—N11—Pt1105.3 (3)C22—C72—H72B109.8
C71—N11—Pt1108.9 (2)H72A—C72—H72B108.2
C121—N21—C111108.1 (3)N12—C82—H82A109.5
C121—N21—C101108.4 (3)N12—C82—H82B109.5
C111—N21—C101108.4 (3)H82A—C82—H82B109.5
C121—N21—Pt1117.7 (3)N12—C82—H82C109.5
C111—N21—Pt1105.2 (3)H82A—C82—H82C109.5
C101—N21—Pt1108.6 (2)H82B—C82—H82C109.5
N31—O21—C131111.1 (3)N12—C92—H92A109.5
C141—N31—O21123.2 (3)N12—C92—H92B109.5
C141—N31—C171116.6 (4)H92A—C92—H92B109.5
O21—N31—C171120.1 (3)N12—C92—H92C109.5
C21—C11—C61123.0 (4)H92A—C92—H92C109.5
C21—C11—Pt1118.4 (3)H92B—C92—H92C109.5
C61—C11—Pt1118.6 (3)C62—C102—N22111.5 (5)
C31—C21—C11118.3 (4)C62—C102—H10C109.3
C31—C21—C71126.8 (4)N22—C102—H10C109.3
C11—C21—C71114.8 (4)C62—C102—H10D109.3
C21—C31—C41119.2 (4)N22—C102—H10D109.3
C21—C31—H31120.4H10C—C102—H10D108.0
C41—C31—H31120.4N22—C112—H11D109.5
C31—C41—C51121.9 (4)N22—C112—H11E109.5
C31—C41—C131116.2 (4)H11D—C112—H11E109.5
C51—C41—C131121.7 (4)N22—C112—H11F109.5
C61—C51—C41118.6 (4)H11D—C112—H11F109.5
C61—C51—H51120.7H11E—C112—H11F109.5
C41—C51—H51120.7N22—C122—H12D109.5
C51—C61—C11118.7 (4)N22—C122—H12E109.5
C51—C61—C101127.6 (4)H12D—C122—H12E109.5
C11—C61—C101113.4 (3)N22—C122—H12F109.5
C21—C71—N11109.7 (3)H12D—C122—H12F109.5
C21—C71—H71A109.7H12E—C122—H12F109.5
N11—C71—H71A109.7O12—C132—O22121.8 (6)
C21—C71—H71B109.7O12—C132—C42127.4 (6)
N11—C71—H71B109.7O22—C132—C42110.8 (5)
H71A—C71—H71B108.2O32—C142—N32122.7 (6)
N11—C81—H81A109.5O32—C142—C152130.8 (6)
N11—C81—H81B109.5N32—C142—C152106.5 (5)
H81A—C81—H81B109.5C142—C152—C162105.9 (5)
N11—C81—H81C109.5C142—C152—H15C110.6
H81A—C81—H81C109.5C162—C152—H15C110.5
H81B—C81—H81C109.5C142—C152—H15D110.6
N11—C91—H91A109.5C162—C152—H15D110.6
N11—C91—H91B109.5H15C—C152—H15D108.7
H91A—C91—H91B109.5C172—C162—C152105.0 (5)
N11—C91—H91C109.5C172—C162—H16C110.7
H91A—C91—H91C109.5C152—C162—H16C110.7
H91B—C91—H91C109.5C172—C162—H16D110.7
N21—C101—C61109.9 (3)C152—C162—H16D110.7
N21—C101—H10A109.7H16C—C162—H16D108.8
C61—C101—H10A109.7O42—C172—N32124.2 (7)
N21—C101—H10B109.7O42—C172—C162129.2 (7)
C61—C101—H10B109.7N32—C172—C162106.5 (5)
H10A—C101—H10B108.2C133—O23—N33110.5 (6)
N21—C111—H11A109.5C143—N33—O23122.9 (6)
N21—C111—H11B109.5C143—N33—C173115.6 (6)
H11A—C111—H11B109.5O23—N33—C173120.3 (6)
N21—C111—H11C109.5C23—C13—C63122.3 (7)
H11A—C111—H11C109.5C23—C13—Pt2120.3 (6)
H11B—C111—H11C109.5C63—C13—Pt2117.3 (6)
N21—C121—H12A109.5C13—C23—C33118.6 (8)
N21—C121—H12B109.5C13—C23—C73113.6 (7)
H12A—C121—H12B109.5C33—C23—C73127.7 (8)
N21—C121—H12C109.5C43—C33—C23118.7 (7)
H12A—C121—H12C109.5C43—C33—H33120.7
H12B—C121—H12C109.5C23—C33—H33120.7
O11—C131—O21121.9 (4)C33—C43—C53122.2 (6)
O11—C131—C41127.3 (4)C33—C43—C133122.3 (7)
O21—C131—C41110.8 (3)C53—C43—C133115.4 (6)
O31—C141—N31124.3 (4)C63—C53—C43118.5 (7)
O31—C141—C151130.2 (4)C63—C53—H53120.8
N31—C141—C151105.6 (4)C43—C53—H53120.8
C141—C151—C161106.2 (4)C53—C63—C13119.1 (8)
C141—C151—H15A110.5C53—C63—C103126.5 (7)
C161—C151—H15A110.5C13—C63—C103114.3 (7)
C141—C151—H15B110.5C23—C73—N12111.8 (7)
C161—C151—H15B110.5C23—C73—H73A109.3
H15A—C151—H15B108.7N12—C73—H73A109.3
C171—C161—C151105.9 (4)C23—C73—H73B109.3
C171—C161—H16A110.5N12—C73—H73B109.3
C151—C161—H16A110.5H73A—C73—H73B107.9
C171—C161—H16B110.5N12—C83—H83A109.5
C151—C161—H16B110.5N12—C83—H83B109.5
H16A—C161—H16B108.7H83A—C83—H83B109.5
O41—C171—N31123.6 (4)N12—C83—H83C109.5
O41—C171—C161130.9 (4)H83A—C83—H83C109.5
N31—C171—C161105.6 (4)H83B—C83—H83C109.5
C13—Pt2—C126.5 (4)N12—C93—H93A109.5
C13—Pt2—N2278.2 (3)N12—C93—H93B109.5
C12—Pt2—N2284.3 (3)H93A—C93—H93B109.5
C13—Pt2—N1285.7 (3)N12—C93—H93C109.5
C12—Pt2—N1279.3 (3)H93A—C93—H93C109.5
N22—Pt2—N12160.14 (16)H93B—C93—H93C109.5
C13—Pt2—I12173.3 (4)N22—C103—C63105.9 (7)
C12—Pt2—I12172.6 (4)N22—C103—H10E110.6
N22—Pt2—I1297.20 (12)C63—C103—H10E110.6
N12—Pt2—I1297.75 (11)N22—C103—H10F110.6
C13—Pt2—I2283.7 (5)C63—C103—H10F110.6
C12—Pt2—I2285.4 (4)H10E—C103—H10F108.7
N22—Pt2—I2294.64 (11)N22—C113—H11G109.5
N12—Pt2—I2295.10 (10)N22—C113—H11H109.5
I12—Pt2—I22101.569 (11)H11G—C113—H11H109.5
Pt2—I22—I32177.533 (15)N22—C113—H11I109.5
C93—N12—C83113.9 (9)H11G—C113—H11I109.5
C72—N12—C82112.2 (7)H11H—C113—H11I109.5
C72—N12—C92111.1 (6)N22—C123—H12G109.5
C82—N12—C92104.1 (6)N22—C123—H12H109.5
C93—N12—C73105.7 (7)H12G—C123—H12H109.5
C83—N12—C73102.7 (8)N22—C123—H12I109.5
C93—N12—Pt2122.7 (7)H12G—C123—H12I109.5
C72—N12—Pt2113.0 (4)H12H—C123—H12I109.5
C83—N12—Pt2105.3 (8)O13—C133—O23121.0 (7)
C82—N12—Pt2104.6 (6)O13—C133—C43126.7 (7)
C92—N12—Pt2111.4 (5)O23—C133—C43112.1 (6)
C73—N12—Pt2104.4 (4)O33—C143—N33125.9 (7)
C103—N22—C113119.2 (9)O33—C143—C153127.9 (7)
C122—N22—C112109.4 (6)N33—C143—C153106.1 (6)
C122—N22—C102107.0 (5)C143—C153—C163106.3 (6)
C112—N22—C102101.2 (6)C143—C153—H15E110.5
C103—N22—C123109.3 (7)C163—C153—H15E110.5
C113—N22—C123102.9 (7)C143—C153—H15F110.5
C103—N22—Pt2113.6 (5)C163—C153—H15F110.5
C122—N22—Pt2123.9 (5)H15E—C153—H15F108.7
C113—N22—Pt2100.2 (7)C173—C163—C153104.7 (6)
C112—N22—Pt2107.7 (5)C173—C163—H16E110.8
C102—N22—Pt2105.3 (3)C153—C163—H16E110.8
C123—N22—Pt2111.0 (6)C173—C163—H16F110.8
N32—O22—C132112.1 (6)C153—C163—H16F110.8
C142—N32—O22124.9 (5)H16E—C163—H16F108.9
C142—N32—C172115.2 (5)O43—C173—N33124.3 (7)
O22—N32—C172117.9 (5)O43—C173—C163128.7 (7)
C22—C12—C62123.0 (7)N33—C173—C163106.7 (6)
C22—C12—Pt2118.0 (5)Cl24—C14—Cl14113.0 (4)
C62—C12—Pt2118.8 (6)Cl24—C14—H14A109.0
C12—C22—C32117.8 (7)Cl14—C14—H14A109.0
C12—C22—C72114.3 (6)Cl24—C14—H14B109.0
C32—C22—C72127.8 (7)Cl14—C14—H14B109.0
C22—C32—C42120.0 (7)H14A—C14—H14B107.8
C11—Pt1—N11—C91140.5 (3)I12—Pt2—N22—C102169.5 (4)
N21—Pt1—N11—C91174.5 (4)I22—Pt2—N22—C10267.2 (4)
I11—Pt1—N11—C9145.6 (3)C13—Pt2—N22—C123150.5 (8)
I21—Pt1—N11—C9156.7 (3)C12—Pt2—N22—C123152.9 (7)
C11—Pt1—N11—C8198.3 (3)N12—Pt2—N22—C123172.9 (6)
N21—Pt1—N11—C8164.3 (5)I12—Pt2—N22—C12334.4 (6)
I11—Pt1—N11—C8175.6 (3)I22—Pt2—N22—C12367.9 (6)
I21—Pt1—N11—C81177.9 (3)C132—O22—N32—C14276.3 (9)
C11—Pt1—N11—C7116.6 (3)C132—O22—N32—C17286.4 (8)
N21—Pt1—N11—C7150.6 (6)C13—Pt2—C12—C22169 (8)
I11—Pt1—N11—C71169.5 (3)N22—Pt2—C12—C22170.4 (10)
I21—Pt1—N11—C7167.2 (3)N12—Pt2—C12—C221.6 (9)
C11—Pt1—N21—C121142.5 (3)I22—Pt2—C12—C2294.5 (10)
N11—Pt1—N21—C121176.4 (4)C13—Pt2—C12—C6216 (7)
I11—Pt1—N21—C12143.9 (3)N22—Pt2—C12—C624.7 (9)
I21—Pt1—N21—C12158.6 (3)N12—Pt2—C12—C62173.5 (10)
C11—Pt1—N21—C11197.1 (3)I22—Pt2—C12—C6290.5 (10)
N11—Pt1—N21—C11163.1 (5)C62—C12—C22—C323.6 (17)
I11—Pt1—N21—C11176.6 (3)Pt2—C12—C22—C32171.2 (8)
I21—Pt1—N21—C111179.1 (3)C62—C12—C22—C72172.6 (11)
C11—Pt1—N21—C10118.8 (3)Pt2—C12—C22—C7212.6 (14)
N11—Pt1—N21—C10152.8 (5)C12—C22—C32—C424.6 (14)
I11—Pt1—N21—C101167.5 (3)C72—C22—C32—C42170.9 (9)
I21—Pt1—N21—C10165.0 (3)C22—C32—C42—C524.0 (12)
C131—O21—N31—C14180.3 (5)C22—C32—C42—C132173.8 (7)
C131—O21—N31—C17197.8 (4)C32—C42—C52—C622.1 (11)
N21—Pt1—C11—C21172.9 (3)C132—C42—C52—C62171.6 (6)
N11—Pt1—C11—C213.4 (3)C42—C52—C62—C120.9 (13)
I21—Pt1—C11—C2192.1 (3)C42—C52—C62—C102173.6 (8)
N21—Pt1—C11—C614.9 (3)C22—C12—C62—C521.7 (17)
N11—Pt1—C11—C61174.3 (4)Pt2—C12—C62—C52173.0 (7)
I21—Pt1—C11—C6190.2 (3)C22—C12—C62—C102173.6 (10)
C61—C11—C21—C315.4 (6)Pt2—C12—C62—C10211.6 (13)
Pt1—C11—C21—C31172.2 (3)C93—N12—C72—C22156.4 (9)
C61—C11—C21—C71170.9 (4)C83—N12—C72—C2286.9 (11)
Pt1—C11—C21—C7111.5 (5)C82—N12—C72—C2291.9 (10)
C11—C21—C31—C414.1 (6)C92—N12—C72—C22152.0 (7)
C71—C21—C31—C41171.7 (4)C73—N12—C72—C225 (5)
C21—C31—C41—C511.3 (6)Pt2—N12—C72—C2225.9 (9)
C21—C31—C41—C131176.3 (3)C12—C22—C72—N1225.2 (12)
C31—C41—C51—C610.5 (6)C32—C22—C72—N12159.2 (9)
C131—C41—C51—C61174.3 (3)C52—C62—C102—N22158.3 (8)
C41—C51—C61—C110.7 (6)C12—C62—C102—N2226.9 (11)
C41—C51—C61—C101173.9 (4)C103—N22—C102—C62158 (3)
C21—C11—C61—C513.7 (7)C122—N22—C102—C62161.9 (7)
Pt1—C11—C61—C51173.9 (3)C113—N22—C102—C6279.7 (10)
C21—C11—C61—C101171.6 (4)C112—N22—C102—C6283.6 (8)
Pt1—C11—C61—C10110.8 (5)C123—N22—C102—C62156.6 (8)
C31—C21—C71—N11159.0 (4)Pt2—N22—C102—C6228.4 (7)
C11—C21—C71—N1125.0 (5)N32—O22—C132—O124.4 (5)
C91—N11—C71—C21154.6 (4)N32—O22—C132—C42177.0 (3)
C81—N11—C71—C2187.5 (4)C32—C42—C132—O127.2 (6)
Pt1—N11—C71—C2126.1 (4)C52—C42—C132—O12162.7 (6)
C121—N21—C101—C61157.6 (4)C32—C42—C132—O22171.2 (6)
C111—N21—C101—C6185.2 (4)C52—C42—C132—O2218.8 (6)
Pt1—N21—C101—C6128.6 (4)O22—N32—C142—O327.8 (15)
C51—C61—C101—N21158.9 (4)C172—N32—C142—O32170.9 (10)
C11—C61—C101—N2126.3 (5)O22—N32—C142—C152170.4 (9)
N31—O21—C131—O114.8 (4)C172—N32—C142—C1527.3 (13)
N31—O21—C131—C41176.7 (2)O32—C142—C152—C162176.8 (12)
C31—C41—C131—O111.5 (3)N32—C142—C152—C1621.2 (13)
C51—C41—C131—O11173.5 (4)C142—C152—C162—C1724.5 (14)
C31—C41—C131—O21176.9 (3)C142—N32—C172—O42165.6 (11)
C51—C41—C131—O218.1 (4)O22—N32—C172—O421.2 (16)
O21—N31—C141—O310.8 (7)C142—N32—C172—C16210.3 (13)
C171—N31—C141—O31179.1 (5)O22—N32—C172—C162174.7 (9)
O21—N31—C141—C151179.2 (4)C152—C162—C172—O42167.1 (13)
C171—N31—C141—C1512.6 (6)C152—C162—C172—N328.5 (13)
O31—C141—C151—C161179.0 (5)C133—O23—N33—C14387.1 (11)
N31—C141—C151—C1610.7 (6)C133—O23—N33—C17379.5 (10)
C141—C151—C161—C1711.1 (6)C12—Pt2—C13—C2310 (6)
C141—N31—C171—O41177.1 (5)N22—Pt2—C13—C23169.4 (13)
O21—N31—C171—O411.2 (7)N12—Pt2—C13—C231.1 (12)
C141—N31—C171—C1613.3 (6)I22—Pt2—C13—C2394.6 (13)
O21—N31—C171—C161178.4 (4)C12—Pt2—C13—C63169 (8)
C151—C161—C171—O41177.9 (5)N22—Pt2—C13—C639.6 (11)
C151—C161—C171—N312.5 (5)N12—Pt2—C13—C63177.9 (12)
C13—Pt2—N12—C93131.5 (9)I22—Pt2—C13—C6386.5 (11)
C12—Pt2—N12—C93132.6 (8)C63—C13—C23—C337 (2)
N22—Pt2—N12—C93167.3 (8)Pt2—C13—C23—C33171.6 (10)
I12—Pt2—N12—C9354.2 (7)C63—C13—C23—C73169.4 (13)
I22—Pt2—N12—C9348.2 (7)Pt2—C13—C23—C7311.8 (18)
C13—Pt2—N12—C7215.0 (7)C13—C23—C33—C433.7 (18)
C12—Pt2—N12—C7216.0 (6)C73—C23—C33—C43172.4 (12)
N22—Pt2—N12—C7250.7 (7)C23—C33—C43—C533.3 (16)
I12—Pt2—N12—C72170.8 (5)C23—C33—C43—C133179.2 (10)
I22—Pt2—N12—C7268.3 (5)C33—C43—C53—C636.9 (15)
C13—Pt2—N12—C8396.1 (9)C133—C43—C53—C63175.4 (8)
C12—Pt2—N12—C8395.1 (8)C43—C53—C63—C133.4 (16)
N22—Pt2—N12—C8360.4 (9)C43—C53—C63—C103179.0 (10)
I12—Pt2—N12—C8378.1 (7)C23—C13—C63—C534 (2)
I22—Pt2—N12—C83179.4 (7)Pt2—C13—C63—C53175.2 (9)
C13—Pt2—N12—C82107.3 (8)C23—C13—C63—C103174.3 (13)
C12—Pt2—N12—C82106.2 (7)Pt2—C13—C63—C1036.8 (16)
N22—Pt2—N12—C8271.5 (7)C13—C23—C73—N1221.5 (16)
I12—Pt2—N12—C8267.0 (6)C33—C23—C73—N12162.2 (12)
I22—Pt2—N12—C82169.4 (6)C93—N12—C73—C23151.1 (11)
C13—Pt2—N12—C92140.9 (7)C72—N12—C73—C23179 (6)
C12—Pt2—N12—C92142.0 (6)C83—N12—C73—C2389.2 (13)
N22—Pt2—N12—C92176.7 (5)C82—N12—C73—C2392.5 (12)
I12—Pt2—N12—C9244.8 (5)C92—N12—C73—C23145.3 (10)
I22—Pt2—N12—C9257.6 (5)Pt2—N12—C73—C2320.5 (11)
C13—Pt2—N12—C7311.7 (7)C122—N22—C103—C63164.6 (8)
C12—Pt2—N12—C7312.8 (7)C113—N22—C103—C6382.7 (11)
N22—Pt2—N12—C7347.5 (7)C112—N22—C103—C6383.8 (9)
I12—Pt2—N12—C73174.0 (5)C102—N22—C103—C6320 (2)
I22—Pt2—N12—C7371.6 (5)C123—N22—C103—C63159.6 (8)
C13—Pt2—N22—C10327.0 (8)Pt2—N22—C103—C6335.1 (9)
C12—Pt2—N22—C10329.3 (7)C53—C63—C103—N22154.5 (10)
N12—Pt2—N22—C10363.5 (8)C13—C63—C103—N2227.7 (14)
I12—Pt2—N22—C103157.9 (6)N33—O23—C133—O133.6 (6)
I22—Pt2—N22—C10355.6 (6)N33—O23—C133—C43172.9 (6)
C13—Pt2—N22—C122138.7 (7)C33—C43—C133—O13164.2 (7)
C12—Pt2—N22—C122141.0 (7)C53—C43—C133—O1313.5 (11)
N12—Pt2—N22—C122175.2 (6)C33—C43—C133—O2319.5 (11)
I12—Pt2—N22—C12246.2 (5)C53—C43—C133—O23162.8 (7)
I22—Pt2—N22—C12256.1 (5)O23—N33—C143—O337 (2)
C13—Pt2—N22—C113101.3 (8)C173—N33—C143—O33173.7 (13)
C12—Pt2—N22—C11399.0 (8)O23—N33—C143—C153170.1 (11)
N12—Pt2—N22—C11364.8 (8)C173—N33—C143—C1532.9 (16)
I12—Pt2—N22—C11373.8 (6)O33—C143—C153—C163170.2 (15)
I22—Pt2—N22—C113176.1 (6)N33—C143—C153—C1636.3 (18)
C13—Pt2—N22—C11291.9 (7)C143—C153—C163—C1737.3 (18)
C12—Pt2—N22—C11289.5 (6)C143—N33—C173—O43176.8 (12)
N12—Pt2—N22—C11255.3 (7)O23—N33—C173—O439.2 (17)
I12—Pt2—N22—C11283.2 (5)C143—N33—C173—C1631.9 (15)
I22—Pt2—N22—C112174.5 (5)O23—N33—C173—C163165.7 (11)
C13—Pt2—N22—C10215.4 (6)C153—C163—C173—O43179.7 (14)
C12—Pt2—N22—C10217.8 (5)C153—C163—C173—N335.7 (16)
N12—Pt2—N22—C10252.0 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C161—H16A···O11i0.992.463.296 (7)142
Symmetry code: (i) x+1, y, z+1.
 

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