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In the title compound [Pt(C
17H
22N
3O
4)I(I
2)]·0.5CH
2Cl
2, the coordination environment of the Pt
II 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 η
1-coordinated I
2 molecule. Intermolecular C—H
O contacts result in a dimeric structure. The asymmetric unit of (I) consists of two independent [PtI(C
17H
22N
3O
4)(I
2)] molecules and a CH
2Cl
2 solvent molecule
Supporting information
CCDC reference: 647201
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (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
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)]·0.5CH2Cl2 | Z = 4 |
Mr = 950.63 | F(000) = 1740 |
Triclinic, P1 | Dx = 2.516 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.7012 (1) Å | Cell parameters from 102 reflections |
b = 15.1862 (2) Å | θ = 2.5–22.1° |
c = 19.8391 (4) Å | µ = 9.41 mm−1 |
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 anode | 8859 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.036 |
φ and ω scans | θmax = 27.5°, θmin = 1.6° |
Absorption correction: analytical (de Meulenaer & Tompa, 1965) | h = −11→11 |
Tmin = 0.14, Tmax = 0.63 | k = −19→19 |
35716 measured reflections | l = 0→25 |
Refinement top
Refinement on F2 | Primary atom site location: heavy-atom method |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.024 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.054 | H-atom parameters constrained |
S = 0.94 | w = 1/[σ2(Fo2)] |
11455 reflections | (Δ/σ)max = 0.002 |
511 parameters | Δρmax = 3.03 e Å−3 |
162 restraints | Δρmin = −3.35 e Å−3 |
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 | x | y | z | Uiso*/Ueq | Occ. (<1) |
Pt1 | 0.403218 (19) | 0.509735 (11) | 0.301129 (8) | 0.01628 (4) | |
I11 | 0.46577 (4) | 0.64528 (2) | 0.226128 (17) | 0.02933 (7) | |
I21 | 0.22390 (3) | 0.580499 (19) | 0.404745 (14) | 0.02004 (6) | |
I31 | 0.05150 (4) | 0.64807 (2) | 0.513372 (15) | 0.02557 (7) | |
N11 | 0.6181 (4) | 0.5521 (2) | 0.36047 (18) | 0.0205 (8) | |
N21 | 0.2035 (4) | 0.4249 (2) | 0.24287 (18) | 0.0195 (8) | |
O11 | 0.4516 (4) | 0.1589 (2) | 0.47396 (18) | 0.0340 (8) | |
O21 | 0.2112 (4) | 0.1018 (2) | 0.41800 (16) | 0.0285 (8) | |
O31 | 0.1488 (5) | 0.0646 (3) | 0.55085 (18) | 0.0399 (9) | |
O41 | 0.2943 (5) | −0.0461 (3) | 0.34078 (18) | 0.0409 (9) | |
N31 | 0.2158 (5) | 0.0219 (2) | 0.44179 (18) | 0.0273 (9) | |
C11 | 0.3743 (5) | 0.4058 (3) | 0.3494 (2) | 0.0168 (9) | |
C21 | 0.4885 (5) | 0.4067 (3) | 0.3988 (2) | 0.0180 (9) | |
C31 | 0.4782 (5) | 0.3282 (3) | 0.4271 (2) | 0.0202 (9) | |
H31 | 0.5585 | 0.3253 | 0.4590 | 0.024* | |
C41 | 0.3487 (5) | 0.2535 (3) | 0.4084 (2) | 0.0192 (9) | |
C51 | 0.2295 (5) | 0.2548 (3) | 0.3605 (2) | 0.0204 (9) | |
H51 | 0.1417 | 0.2033 | 0.3486 | 0.024* | |
C61 | 0.2426 (5) | 0.3322 (3) | 0.3310 (2) | 0.0195 (9) | |
C71 | 0.6065 (5) | 0.4972 (3) | 0.4188 (2) | 0.0222 (10) | |
H71A | 0.7114 | 0.4868 | 0.4296 | 0.027* | |
H71B | 0.5731 | 0.5322 | 0.4602 | 0.027* | |
C81 | 0.7390 (5) | 0.5247 (3) | 0.3145 (2) | 0.0284 (11) | |
H81A | 0.7040 | 0.4591 | 0.2955 | 0.043* | |
H81B | 0.8403 | 0.5366 | 0.3405 | 0.043* | |
H81C | 0.7521 | 0.5606 | 0.2771 | 0.043* | |
C91 | 0.6728 (5) | 0.6518 (3) | 0.3891 (2) | 0.0265 (10) | |
H91A | 0.5939 | 0.6703 | 0.4194 | 0.040* | |
H91B | 0.6863 | 0.6875 | 0.3517 | 0.040* | |
H91C | 0.7741 | 0.6631 | 0.4151 | 0.040* | |
C101 | 0.1222 (5) | 0.3523 (3) | 0.2835 (2) | 0.0240 (10) | |
H10A | 0.0701 | 0.2953 | 0.2519 | 0.029* | |
H10B | 0.0397 | 0.3742 | 0.3106 | 0.029* | |
C111 | 0.2680 (6) | 0.3783 (3) | 0.1813 (2) | 0.0287 (11) | |
H11A | 0.3486 | 0.3489 | 0.1959 | 0.043* | |
H11B | 0.3158 | 0.4239 | 0.1530 | 0.043* | |
H11C | 0.1819 | 0.3316 | 0.1547 | 0.043* | |
C121 | 0.0829 (5) | 0.4696 (3) | 0.2191 (2) | 0.0261 (10) | |
H12A | 0.0387 | 0.5004 | 0.2587 | 0.039* | |
H12B | −0.0021 | 0.4229 | 0.1918 | 0.039* | |
H12C | 0.1328 | 0.5150 | 0.1910 | 0.039* | |
C131 | 0.3506 (5) | 0.1700 (3) | 0.43748 (16) | 0.0241 (10) | |
C141 | 0.1845 (6) | 0.0088 (3) | 0.5079 (2) | 0.0300 (11) | |
C151 | 0.2005 (7) | −0.0872 (3) | 0.5113 (3) | 0.0391 (13) | |
H15A | 0.0990 | −0.1258 | 0.5230 | 0.047* | |
H15B | 0.2835 | −0.0856 | 0.5464 | 0.047* | |
C161 | 0.2459 (7) | −0.1254 (3) | 0.4406 (2) | 0.0380 (13) | |
H16A | 0.3486 | −0.1423 | 0.4436 | 0.046* | |
H16B | 0.1641 | −0.1806 | 0.4197 | 0.046* | |
C171 | 0.2579 (6) | −0.0497 (3) | 0.3989 (2) | 0.0287 (11) | |
Pt2 | 0.642590 (19) | 1.053834 (12) | 0.207398 (8) | 0.01809 (4) | |
I12 | 0.71756 (4) | 1.19710 (3) | 0.310314 (18) | 0.04301 (10) | |
I22 | 0.87414 (3) | 1.10763 (2) | 0.114062 (15) | 0.02397 (7) | |
I32 | 1.09867 (4) | 1.15734 (3) | 0.015155 (17) | 0.03413 (8) | |
N12 | 0.4626 (4) | 1.0950 (3) | 0.1581 (2) | 0.0271 (9) | |
N22 | 0.7647 (5) | 0.9690 (3) | 0.2481 (2) | 0.0295 (9) | |
O12 | 0.2079 (7) | 0.6879 (4) | −0.0223 (3) | 0.0301 (15)* | 0.566 (6) |
O22 | 0.4165 (7) | 0.6330 (4) | 0.0031 (3) | 0.0349 (16)* | 0.566 (6) |
O32 | 0.3750 (9) | 0.5790 (5) | −0.1395 (3) | 0.0392 (19)* | 0.566 (6) |
O42 | 0.2074 (11) | 0.5083 (6) | 0.0640 (3) | 0.053 (2)* | 0.566 (6) |
N32 | 0.3302 (8) | 0.5499 (4) | −0.0328 (3) | 0.0294 (18)* | 0.566 (6) |
C12 | 0.5611 (13) | 0.9447 (5) | 0.1372 (5) | 0.018 (3)* | 0.566 (6) |
C22 | 0.4401 (10) | 0.9468 (5) | 0.0920 (4) | 0.016 (2)* | 0.566 (6) |
C32 | 0.3683 (9) | 0.8658 (5) | 0.0489 (4) | 0.0196 (18)* | 0.566 (6) |
H32 | 0.2797 | 0.8636 | 0.0196 | 0.023* | 0.566 (6) |
C42 | 0.4259 (9) | 0.7877 (4) | 0.0485 (3) | 0.0186 (17)* | 0.566 (6) |
C52 | 0.5502 (9) | 0.7867 (4) | 0.0941 (4) | 0.0172 (17)* | 0.566 (6) |
H52 | 0.5862 | 0.7324 | 0.0944 | 0.021* | 0.566 (6) |
C62 | 0.6187 (10) | 0.8668 (5) | 0.1384 (4) | 0.021 (2)* | 0.566 (6) |
C72 | 0.4105 (12) | 1.0398 (6) | 0.0931 (5) | 0.024 (3)* | 0.566 (6) |
H72A | 0.4685 | 1.0691 | 0.0567 | 0.029* | 0.566 (6) |
H72B | 0.2960 | 1.0341 | 0.0845 | 0.029* | 0.566 (6) |
C82 | 0.3309 (17) | 1.0891 (9) | 0.2079 (6) | 0.033 (4)* | 0.566 (6) |
H82A | 0.3719 | 1.1278 | 0.2518 | 0.049* | 0.566 (6) |
H82B | 0.2919 | 1.0252 | 0.2145 | 0.049* | 0.566 (6) |
H82C | 0.2440 | 1.1106 | 0.1894 | 0.049* | 0.566 (6) |
C92 | 0.5125 (13) | 1.1980 (7) | 0.1523 (6) | 0.027 (3)* | 0.566 (6) |
H92A | 0.5486 | 1.2344 | 0.1976 | 0.041* | 0.566 (6) |
H92B | 0.4218 | 1.2170 | 0.1348 | 0.041* | 0.566 (6) |
H92C | 0.5987 | 1.2081 | 0.1210 | 0.041* | 0.566 (6) |
C102 | 0.7626 (10) | 0.8850 (6) | 0.1868 (4) | 0.023 (2)* | 0.566 (6) |
H10C | 0.8597 | 0.8997 | 0.1611 | 0.028* | 0.566 (6) |
H10D | 0.7626 | 0.8289 | 0.2062 | 0.028* | 0.566 (6) |
C112 | 0.6585 (11) | 0.9202 (8) | 0.2976 (5) | 0.023 (3)* | 0.566 (6) |
H11D | 0.5495 | 0.8996 | 0.2778 | 0.034* | 0.566 (6) |
H11E | 0.6614 | 0.9625 | 0.3407 | 0.034* | 0.566 (6) |
H11F | 0.6958 | 0.8669 | 0.3064 | 0.034* | 0.566 (6) |
C122 | 0.9239 (10) | 0.9999 (7) | 0.2774 (5) | 0.026 (2)* | 0.566 (6) |
H12D | 0.9957 | 1.0211 | 0.2425 | 0.039* | 0.566 (6) |
H12E | 0.9548 | 0.9490 | 0.2942 | 0.039* | 0.566 (6) |
H12F | 0.9297 | 1.0506 | 0.3154 | 0.039* | 0.566 (6) |
C132 | 0.3341 (7) | 0.7011 (4) | 0.0067 (2) | 0.026 (2)* | 0.566 (6) |
C142 | 0.3078 (11) | 0.5293 (5) | −0.1025 (3) | 0.025 (2)* | 0.566 (6) |
C152 | 0.1842 (15) | 0.4384 (5) | −0.1183 (4) | 0.024 (4)* | 0.566 (6) |
H15C | 0.2288 | 0.3910 | −0.1458 | 0.029* | 0.566 (6) |
H15D | 0.0910 | 0.4455 | −0.1442 | 0.029* | 0.566 (6) |
C162 | 0.1371 (15) | 0.4114 (6) | −0.0491 (4) | 0.033 (4)* | 0.566 (6) |
H16C | 0.0213 | 0.4015 | −0.0448 | 0.040* | 0.566 (6) |
H16D | 0.1683 | 0.3544 | −0.0434 | 0.040* | 0.566 (6) |
C172 | 0.2253 (12) | 0.4913 (6) | 0.0031 (4) | 0.036 (3)* | 0.566 (6) |
O13 | 0.5078 (10) | 0.6249 (5) | 0.0126 (4) | 0.035 (2)* | 0.434 (6) |
O23 | 0.2804 (8) | 0.6651 (4) | −0.0089 (3) | 0.029 (2)* | 0.434 (6) |
O33 | 0.3159 (10) | 0.5897 (5) | −0.1470 (4) | 0.0251 (19)* | 0.434 (6) |
O43 | 0.1521 (11) | 0.5200 (6) | 0.0609 (3) | 0.027 (2)* | 0.434 (6) |
N33 | 0.2299 (10) | 0.5734 (5) | −0.0396 (3) | 0.029 (2)* | 0.434 (6) |
C13 | 0.5836 (16) | 0.9431 (7) | 0.1422 (7) | 0.014 (4)* | 0.434 (6) |
C23 | 0.4639 (14) | 0.9318 (6) | 0.0925 (6) | 0.020 (3)* | 0.434 (6) |
C33 | 0.4100 (12) | 0.8459 (5) | 0.0517 (5) | 0.021 (2)* | 0.434 (6) |
H33 | 0.3239 | 0.8348 | 0.0190 | 0.025* | 0.434 (6) |
C43 | 0.4844 (11) | 0.7767 (5) | 0.0597 (5) | 0.016 (2)* | 0.434 (6) |
C53 | 0.6172 (12) | 0.7918 (5) | 0.1051 (4) | 0.019 (2)* | 0.434 (6) |
H53 | 0.6733 | 0.7454 | 0.1061 | 0.022* | 0.434 (6) |
C63 | 0.6638 (12) | 0.8749 (5) | 0.1477 (5) | 0.014 (2)* | 0.434 (6) |
C73 | 0.4145 (17) | 1.0187 (7) | 0.0873 (6) | 0.028 (4)* | 0.434 (6) |
H73A | 0.2984 | 1.0041 | 0.0778 | 0.034* | 0.434 (6) |
H73B | 0.4660 | 1.0455 | 0.0485 | 0.034* | 0.434 (6) |
C83 | 0.322 (2) | 1.0720 (12) | 0.1988 (8) | 0.033 (5)* | 0.434 (6) |
H83A | 0.3111 | 1.0102 | 0.2098 | 0.049* | 0.434 (6) |
H83B | 0.2276 | 1.0738 | 0.1725 | 0.049* | 0.434 (6) |
H83C | 0.3355 | 1.1167 | 0.2412 | 0.049* | 0.434 (6) |
C93 | 0.4865 (18) | 1.1826 (8) | 0.1374 (8) | 0.032 (4)* | 0.434 (6) |
H93A | 0.5812 | 1.1933 | 0.1108 | 0.048* | 0.434 (6) |
H93B | 0.5005 | 1.2306 | 0.1779 | 0.048* | 0.434 (6) |
H93C | 0.3941 | 1.1842 | 0.1092 | 0.048* | 0.434 (6) |
C103 | 0.8006 (12) | 0.9036 (8) | 0.2004 (5) | 0.025 (3)* | 0.434 (6) |
H10E | 0.8129 | 0.8505 | 0.2213 | 0.030* | 0.434 (6) |
H10F | 0.9005 | 0.9287 | 0.1792 | 0.030* | 0.434 (6) |
C113 | 0.6587 (16) | 0.9406 (12) | 0.3028 (7) | 0.031 (5)* | 0.434 (6) |
H11G | 0.6435 | 0.9954 | 0.3328 | 0.046* | 0.434 (6) |
H11H | 0.7067 | 0.9041 | 0.3295 | 0.046* | 0.434 (6) |
H11I | 0.5561 | 0.9035 | 0.2822 | 0.046* | 0.434 (6) |
C123 | 0.9245 (14) | 1.0290 (9) | 0.2904 (7) | 0.032 (3)* | 0.434 (6) |
H12G | 0.8984 | 1.0747 | 0.3262 | 0.048* | 0.434 (6) |
H12H | 0.9966 | 1.0604 | 0.2594 | 0.048* | 0.434 (6) |
H12I | 0.9759 | 0.9884 | 0.3113 | 0.048* | 0.434 (6) |
C133 | 0.4337 (9) | 0.6833 (5) | 0.0193 (3) | 0.029 (3)* | 0.434 (6) |
C143 | 0.2580 (15) | 0.5424 (6) | −0.1063 (4) | 0.027 (3)* | 0.434 (6) |
C153 | 0.211 (2) | 0.4380 (6) | −0.1156 (5) | 0.027 (6)* | 0.434 (6) |
H15E | 0.2996 | 0.4120 | −0.1335 | 0.033* | 0.434 (6) |
H15F | 0.1178 | 0.4131 | −0.1480 | 0.033* | 0.434 (6) |
C163 | 0.172 (2) | 0.4136 (6) | −0.0448 (5) | 0.027 (4)* | 0.434 (6) |
H16E | 0.0651 | 0.3715 | −0.0463 | 0.032* | 0.434 (6) |
H16F | 0.2506 | 0.3840 | −0.0277 | 0.032* | 0.434 (6) |
C173 | 0.1764 (14) | 0.5049 (5) | 0.0003 (4) | 0.020 (3)* | 0.434 (6) |
Cl14 | −0.0128 (2) | 0.74251 (14) | 0.28387 (10) | 0.0718 (6) | |
Cl24 | 0.0919 (2) | 0.78774 (14) | 0.15204 (11) | 0.0788 (6) | |
C14 | 0.1497 (8) | 0.7740 (6) | 0.2317 (5) | 0.087 (3) | |
H14A | 0.2213 | 0.8322 | 0.2547 | 0.105* | |
H14B | 0.2101 | 0.7259 | 0.2269 | 0.105* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Pt1 | 0.01702 (8) | 0.01702 (8) | 0.01532 (8) | 0.00420 (6) | 0.00201 (6) | 0.00402 (6) |
I11 | 0.03107 (16) | 0.02853 (17) | 0.03265 (17) | 0.00724 (13) | 0.00562 (13) | 0.01739 (14) |
I21 | 0.01929 (14) | 0.02156 (14) | 0.01844 (14) | 0.00452 (11) | 0.00167 (11) | 0.00152 (11) |
I31 | 0.02824 (16) | 0.02567 (16) | 0.02202 (15) | 0.00764 (13) | 0.00549 (12) | −0.00023 (12) |
N11 | 0.0201 (18) | 0.0184 (19) | 0.0213 (19) | 0.0010 (15) | 0.0007 (15) | 0.0039 (15) |
N21 | 0.0195 (18) | 0.0204 (19) | 0.0198 (19) | 0.0072 (15) | −0.0020 (15) | 0.0035 (15) |
O11 | 0.0314 (19) | 0.032 (2) | 0.041 (2) | 0.0054 (16) | −0.0075 (16) | 0.0185 (17) |
O21 | 0.0327 (18) | 0.0182 (17) | 0.0349 (19) | 0.0018 (14) | −0.0080 (15) | 0.0130 (14) |
O31 | 0.048 (2) | 0.042 (2) | 0.030 (2) | 0.0109 (19) | 0.0006 (17) | 0.0060 (18) |
O41 | 0.052 (2) | 0.037 (2) | 0.035 (2) | 0.0107 (18) | 0.0065 (18) | 0.0097 (18) |
N31 | 0.037 (2) | 0.018 (2) | 0.029 (2) | 0.0059 (17) | −0.0025 (18) | 0.0120 (17) |
C11 | 0.019 (2) | 0.016 (2) | 0.017 (2) | 0.0070 (17) | 0.0044 (17) | 0.0036 (17) |
C21 | 0.018 (2) | 0.023 (2) | 0.014 (2) | 0.0081 (18) | −0.0010 (17) | 0.0006 (17) |
C31 | 0.018 (2) | 0.028 (2) | 0.017 (2) | 0.0092 (18) | 0.0016 (17) | 0.0051 (18) |
C41 | 0.021 (2) | 0.018 (2) | 0.020 (2) | 0.0061 (18) | 0.0029 (18) | 0.0055 (18) |
C51 | 0.022 (2) | 0.017 (2) | 0.021 (2) | 0.0030 (18) | −0.0018 (18) | 0.0034 (18) |
C61 | 0.019 (2) | 0.020 (2) | 0.020 (2) | 0.0039 (17) | 0.0003 (17) | 0.0042 (18) |
C71 | 0.024 (2) | 0.021 (2) | 0.019 (2) | 0.0007 (18) | −0.0061 (18) | 0.0074 (19) |
C81 | 0.020 (2) | 0.034 (3) | 0.029 (3) | 0.006 (2) | 0.007 (2) | 0.002 (2) |
C91 | 0.024 (2) | 0.022 (2) | 0.030 (3) | −0.0020 (19) | −0.002 (2) | 0.004 (2) |
C101 | 0.023 (2) | 0.020 (2) | 0.027 (2) | −0.0021 (18) | −0.0065 (19) | 0.0087 (19) |
C111 | 0.038 (3) | 0.028 (3) | 0.018 (2) | 0.010 (2) | −0.002 (2) | −0.001 (2) |
C121 | 0.023 (2) | 0.033 (3) | 0.026 (3) | 0.009 (2) | −0.0069 (19) | 0.014 (2) |
C131 | 0.024 (2) | 0.026 (2) | 0.022 (2) | 0.0039 (19) | 0.0015 (19) | 0.008 (2) |
C141 | 0.030 (3) | 0.031 (3) | 0.029 (3) | 0.004 (2) | −0.004 (2) | 0.012 (2) |
C151 | 0.050 (3) | 0.030 (3) | 0.040 (3) | 0.007 (3) | −0.007 (3) | 0.019 (2) |
C161 | 0.048 (3) | 0.028 (3) | 0.040 (3) | 0.010 (2) | −0.009 (3) | 0.012 (2) |
C171 | 0.031 (3) | 0.025 (3) | 0.028 (3) | 0.001 (2) | −0.004 (2) | 0.007 (2) |
Pt2 | 0.01745 (8) | 0.01912 (9) | 0.01568 (8) | 0.00225 (6) | 0.00205 (6) | 0.00018 (6) |
I12 | 0.0428 (2) | 0.0391 (2) | 0.03026 (18) | −0.00893 (16) | 0.01028 (15) | −0.01611 (15) |
I22 | 0.02337 (15) | 0.02781 (16) | 0.02115 (15) | 0.00562 (12) | 0.00485 (12) | 0.00597 (12) |
I32 | 0.03390 (18) | 0.0438 (2) | 0.02868 (18) | 0.01086 (15) | 0.01312 (14) | 0.01484 (15) |
N12 | 0.025 (2) | 0.029 (2) | 0.030 (2) | 0.0075 (17) | 0.0059 (17) | 0.0093 (18) |
N22 | 0.024 (2) | 0.043 (3) | 0.028 (2) | 0.0129 (19) | 0.0020 (17) | 0.015 (2) |
Cl14 | 0.0626 (11) | 0.0717 (12) | 0.0772 (13) | −0.0114 (9) | −0.0189 (9) | 0.0446 (11) |
Cl24 | 0.0728 (12) | 0.0665 (12) | 0.0905 (15) | 0.0079 (10) | 0.0499 (12) | 0.0035 (11) |
C14 | 0.031 (3) | 0.073 (5) | 0.140 (8) | 0.023 (4) | −0.016 (4) | −0.048 (5) |
Geometric parameters (Å, º) top
Pt1—C11 | 1.942 (4) | C12—C22 | 1.383 (8) |
Pt1—N21 | 2.103 (4) | C12—C62 | 1.395 (7) |
Pt1—N11 | 2.104 (4) | C22—C32 | 1.384 (7) |
Pt1—I11 | 2.6862 (3) | C22—C72 | 1.492 (8) |
Pt1—I21 | 2.8260 (3) | C32—C42 | 1.393 (8) |
I21—I31 | 2.8379 (4) | C32—H32 | 0.9500 |
N11—C91 | 1.488 (6) | C42—C52 | 1.405 (8) |
N11—C81 | 1.491 (6) | C42—C132 | 1.480 (7) |
N11—C71 | 1.522 (5) | C52—C62 | 1.381 (7) |
N21—C121 | 1.488 (5) | C52—H52 | 0.9500 |
N21—C111 | 1.496 (6) | C62—C102 | 1.512 (8) |
N21—C101 | 1.515 (5) | C72—H72A | 0.9900 |
O11—C131 | 1.191 (5) | C72—H72B | 0.9900 |
O21—N31 | 1.380 (4) | C82—H82A | 0.9800 |
O21—C131 | 1.398 (5) | C82—H82B | 0.9800 |
O31—C141 | 1.201 (5) | C82—H82C | 0.9800 |
O41—C171 | 1.206 (5) | C92—H92A | 0.9800 |
N31—C141 | 1.378 (5) | C92—H92B | 0.9800 |
N31—C171 | 1.393 (5) | C92—H92C | 0.9800 |
C11—C21 | 1.383 (5) | C102—H10C | 0.9900 |
C11—C61 | 1.395 (5) | C102—H10D | 0.9900 |
C21—C31 | 1.383 (5) | C112—H11D | 0.9800 |
C21—C71 | 1.498 (6) | C112—H11E | 0.9800 |
C31—C41 | 1.394 (5) | C112—H11F | 0.9800 |
C31—H31 | 0.9500 | C122—H12D | 0.9800 |
C41—C51 | 1.404 (5) | C122—H12E | 0.9800 |
C41—C131 | 1.478 (5) | C122—H12F | 0.9800 |
C51—C61 | 1.377 (5) | C142—C152 | 1.519 (8) |
C51—H51 | 0.9500 | C152—C162 | 1.528 (7) |
C61—C101 | 1.515 (6) | C152—H15C | 0.9900 |
C71—H71A | 0.9900 | C152—H15D | 0.9900 |
C71—H71B | 0.9900 | C162—C172 | 1.506 (8) |
C81—H81A | 0.9800 | C162—H16C | 0.9900 |
C81—H81B | 0.9800 | C162—H16D | 0.9900 |
C81—H81C | 0.9800 | O13—C133 | 1.207 (8) |
C91—H91A | 0.9800 | O23—C133 | 1.387 (7) |
C91—H91B | 0.9800 | O23—N33 | 1.391 (7) |
C91—H91C | 0.9800 | O33—C143 | 1.203 (7) |
C101—H10A | 0.9900 | O43—C173 | 1.217 (7) |
C101—H10B | 0.9900 | N33—C143 | 1.376 (7) |
C111—H11A | 0.9800 | N33—C173 | 1.403 (7) |
C111—H11B | 0.9800 | C13—C23 | 1.386 (8) |
C111—H11C | 0.9800 | C13—C63 | 1.396 (8) |
C121—H12A | 0.9800 | C23—C33 | 1.393 (8) |
C121—H12B | 0.9800 | C23—C73 | 1.500 (9) |
C121—H12C | 0.9800 | C33—C43 | 1.386 (8) |
C141—C151 | 1.509 (6) | C33—H33 | 0.9500 |
C151—C161 | 1.524 (6) | C43—C53 | 1.407 (8) |
C151—H15A | 0.9900 | C43—C133 | 1.476 (8) |
C151—H15B | 0.9900 | C53—C63 | 1.370 (8) |
C161—C171 | 1.504 (6) | C53—H53 | 0.9500 |
C161—H16A | 0.9900 | C63—C103 | 1.509 (9) |
C161—H16B | 0.9900 | C73—H73A | 0.9900 |
Pt2—C13 | 1.908 (9) | C73—H73B | 0.9900 |
Pt2—C12 | 1.966 (8) | C83—H83A | 0.9800 |
Pt2—N22 | 2.098 (4) | C83—H83B | 0.9800 |
Pt2—N12 | 2.103 (4) | C83—H83C | 0.9800 |
Pt2—I12 | 2.6827 (4) | C93—H93A | 0.9800 |
Pt2—I22 | 2.8198 (3) | C93—H93B | 0.9800 |
I22—I32 | 2.8472 (4) | C93—H93C | 0.9800 |
N12—C93 | 1.424 (13) | C103—H10E | 0.9900 |
N12—C72 | 1.424 (10) | C103—H10F | 0.9900 |
N12—C83 | 1.475 (14) | C113—H11G | 0.9800 |
N12—C82 | 1.518 (12) | C113—H11H | 0.9800 |
N12—C92 | 1.544 (10) | C113—H11I | 0.9800 |
N12—C73 | 1.650 (12) | C123—H12G | 0.9800 |
N22—C103 | 1.354 (11) | C123—H12H | 0.9800 |
N22—C122 | 1.435 (9) | C123—H12I | 0.9800 |
N22—C113 | 1.483 (13) | C143—C153 | 1.520 (8) |
N22—C112 | 1.517 (10) | C153—C163 | 1.532 (8) |
N22—C102 | 1.612 (9) | C153—H15E | 0.9900 |
N22—C123 | 1.610 (12) | C153—H15F | 0.9900 |
O12—C132 | 1.191 (7) | C163—C173 | 1.515 (8) |
O22—N32 | 1.384 (7) | C163—H16E | 0.9900 |
O22—C132 | 1.385 (7) | C163—H16F | 0.9900 |
O32—C142 | 1.194 (7) | Cl14—C14 | 1.781 (9) |
O42—C172 | 1.213 (7) | Cl24—C14 | 1.711 (9) |
N32—C142 | 1.368 (7) | C14—H14A | 0.9900 |
N32—C172 | 1.402 (7) | C14—H14B | 0.9900 |
| | | |
C11—Pt1—N21 | 82.15 (15) | C22—C32—H32 | 120.0 |
C11—Pt1—N11 | 82.09 (15) | C42—C32—H32 | 120.0 |
N21—Pt1—N11 | 161.06 (14) | C32—C42—C52 | 121.6 (5) |
C11—Pt1—I11 | 173.70 (12) | C32—C42—C132 | 117.2 (6) |
N21—Pt1—I11 | 98.26 (10) | C52—C42—C132 | 120.3 (6) |
N11—Pt1—I11 | 96.26 (10) | C62—C52—C42 | 118.2 (6) |
C11—Pt1—I21 | 84.54 (12) | C62—C52—H52 | 120.9 |
N21—Pt1—I21 | 94.22 (10) | C42—C52—H52 | 120.9 |
N11—Pt1—I21 | 94.68 (10) | C52—C62—C12 | 119.3 (7) |
I11—Pt1—I21 | 101.675 (11) | C52—C62—C102 | 127.7 (6) |
Pt1—I21—I31 | 177.248 (14) | C12—C62—C102 | 112.8 (6) |
C91—N11—C81 | 109.0 (3) | N12—C72—C22 | 109.4 (6) |
C91—N11—C71 | 108.9 (3) | N12—C72—H72A | 109.8 |
C81—N11—C71 | 107.4 (3) | C22—C72—H72A | 109.8 |
C91—N11—Pt1 | 117.0 (3) | N12—C72—H72B | 109.8 |
C81—N11—Pt1 | 105.3 (3) | C22—C72—H72B | 109.8 |
C71—N11—Pt1 | 108.9 (2) | H72A—C72—H72B | 108.2 |
C121—N21—C111 | 108.1 (3) | N12—C82—H82A | 109.5 |
C121—N21—C101 | 108.4 (3) | N12—C82—H82B | 109.5 |
C111—N21—C101 | 108.4 (3) | H82A—C82—H82B | 109.5 |
C121—N21—Pt1 | 117.7 (3) | N12—C82—H82C | 109.5 |
C111—N21—Pt1 | 105.2 (3) | H82A—C82—H82C | 109.5 |
C101—N21—Pt1 | 108.6 (2) | H82B—C82—H82C | 109.5 |
N31—O21—C131 | 111.1 (3) | N12—C92—H92A | 109.5 |
C141—N31—O21 | 123.2 (3) | N12—C92—H92B | 109.5 |
C141—N31—C171 | 116.6 (4) | H92A—C92—H92B | 109.5 |
O21—N31—C171 | 120.1 (3) | N12—C92—H92C | 109.5 |
C21—C11—C61 | 123.0 (4) | H92A—C92—H92C | 109.5 |
C21—C11—Pt1 | 118.4 (3) | H92B—C92—H92C | 109.5 |
C61—C11—Pt1 | 118.6 (3) | C62—C102—N22 | 111.5 (5) |
C31—C21—C11 | 118.3 (4) | C62—C102—H10C | 109.3 |
C31—C21—C71 | 126.8 (4) | N22—C102—H10C | 109.3 |
C11—C21—C71 | 114.8 (4) | C62—C102—H10D | 109.3 |
C21—C31—C41 | 119.2 (4) | N22—C102—H10D | 109.3 |
C21—C31—H31 | 120.4 | H10C—C102—H10D | 108.0 |
C41—C31—H31 | 120.4 | N22—C112—H11D | 109.5 |
C31—C41—C51 | 121.9 (4) | N22—C112—H11E | 109.5 |
C31—C41—C131 | 116.2 (4) | H11D—C112—H11E | 109.5 |
C51—C41—C131 | 121.7 (4) | N22—C112—H11F | 109.5 |
C61—C51—C41 | 118.6 (4) | H11D—C112—H11F | 109.5 |
C61—C51—H51 | 120.7 | H11E—C112—H11F | 109.5 |
C41—C51—H51 | 120.7 | N22—C122—H12D | 109.5 |
C51—C61—C11 | 118.7 (4) | N22—C122—H12E | 109.5 |
C51—C61—C101 | 127.6 (4) | H12D—C122—H12E | 109.5 |
C11—C61—C101 | 113.4 (3) | N22—C122—H12F | 109.5 |
C21—C71—N11 | 109.7 (3) | H12D—C122—H12F | 109.5 |
C21—C71—H71A | 109.7 | H12E—C122—H12F | 109.5 |
N11—C71—H71A | 109.7 | O12—C132—O22 | 121.8 (6) |
C21—C71—H71B | 109.7 | O12—C132—C42 | 127.4 (6) |
N11—C71—H71B | 109.7 | O22—C132—C42 | 110.8 (5) |
H71A—C71—H71B | 108.2 | O32—C142—N32 | 122.7 (6) |
N11—C81—H81A | 109.5 | O32—C142—C152 | 130.8 (6) |
N11—C81—H81B | 109.5 | N32—C142—C152 | 106.5 (5) |
H81A—C81—H81B | 109.5 | C142—C152—C162 | 105.9 (5) |
N11—C81—H81C | 109.5 | C142—C152—H15C | 110.6 |
H81A—C81—H81C | 109.5 | C162—C152—H15C | 110.5 |
H81B—C81—H81C | 109.5 | C142—C152—H15D | 110.6 |
N11—C91—H91A | 109.5 | C162—C152—H15D | 110.6 |
N11—C91—H91B | 109.5 | H15C—C152—H15D | 108.7 |
H91A—C91—H91B | 109.5 | C172—C162—C152 | 105.0 (5) |
N11—C91—H91C | 109.5 | C172—C162—H16C | 110.7 |
H91A—C91—H91C | 109.5 | C152—C162—H16C | 110.7 |
H91B—C91—H91C | 109.5 | C172—C162—H16D | 110.7 |
N21—C101—C61 | 109.9 (3) | C152—C162—H16D | 110.7 |
N21—C101—H10A | 109.7 | H16C—C162—H16D | 108.8 |
C61—C101—H10A | 109.7 | O42—C172—N32 | 124.2 (7) |
N21—C101—H10B | 109.7 | O42—C172—C162 | 129.2 (7) |
C61—C101—H10B | 109.7 | N32—C172—C162 | 106.5 (5) |
H10A—C101—H10B | 108.2 | C133—O23—N33 | 110.5 (6) |
N21—C111—H11A | 109.5 | C143—N33—O23 | 122.9 (6) |
N21—C111—H11B | 109.5 | C143—N33—C173 | 115.6 (6) |
H11A—C111—H11B | 109.5 | O23—N33—C173 | 120.3 (6) |
N21—C111—H11C | 109.5 | C23—C13—C63 | 122.3 (7) |
H11A—C111—H11C | 109.5 | C23—C13—Pt2 | 120.3 (6) |
H11B—C111—H11C | 109.5 | C63—C13—Pt2 | 117.3 (6) |
N21—C121—H12A | 109.5 | C13—C23—C33 | 118.6 (8) |
N21—C121—H12B | 109.5 | C13—C23—C73 | 113.6 (7) |
H12A—C121—H12B | 109.5 | C33—C23—C73 | 127.7 (8) |
N21—C121—H12C | 109.5 | C43—C33—C23 | 118.7 (7) |
H12A—C121—H12C | 109.5 | C43—C33—H33 | 120.7 |
H12B—C121—H12C | 109.5 | C23—C33—H33 | 120.7 |
O11—C131—O21 | 121.9 (4) | C33—C43—C53 | 122.2 (6) |
O11—C131—C41 | 127.3 (4) | C33—C43—C133 | 122.3 (7) |
O21—C131—C41 | 110.8 (3) | C53—C43—C133 | 115.4 (6) |
O31—C141—N31 | 124.3 (4) | C63—C53—C43 | 118.5 (7) |
O31—C141—C151 | 130.2 (4) | C63—C53—H53 | 120.8 |
N31—C141—C151 | 105.6 (4) | C43—C53—H53 | 120.8 |
C141—C151—C161 | 106.2 (4) | C53—C63—C13 | 119.1 (8) |
C141—C151—H15A | 110.5 | C53—C63—C103 | 126.5 (7) |
C161—C151—H15A | 110.5 | C13—C63—C103 | 114.3 (7) |
C141—C151—H15B | 110.5 | C23—C73—N12 | 111.8 (7) |
C161—C151—H15B | 110.5 | C23—C73—H73A | 109.3 |
H15A—C151—H15B | 108.7 | N12—C73—H73A | 109.3 |
C171—C161—C151 | 105.9 (4) | C23—C73—H73B | 109.3 |
C171—C161—H16A | 110.5 | N12—C73—H73B | 109.3 |
C151—C161—H16A | 110.5 | H73A—C73—H73B | 107.9 |
C171—C161—H16B | 110.5 | N12—C83—H83A | 109.5 |
C151—C161—H16B | 110.5 | N12—C83—H83B | 109.5 |
H16A—C161—H16B | 108.7 | H83A—C83—H83B | 109.5 |
O41—C171—N31 | 123.6 (4) | N12—C83—H83C | 109.5 |
O41—C171—C161 | 130.9 (4) | H83A—C83—H83C | 109.5 |
N31—C171—C161 | 105.6 (4) | H83B—C83—H83C | 109.5 |
C13—Pt2—C12 | 6.5 (4) | N12—C93—H93A | 109.5 |
C13—Pt2—N22 | 78.2 (3) | N12—C93—H93B | 109.5 |
C12—Pt2—N22 | 84.3 (3) | H93A—C93—H93B | 109.5 |
C13—Pt2—N12 | 85.7 (3) | N12—C93—H93C | 109.5 |
C12—Pt2—N12 | 79.3 (3) | H93A—C93—H93C | 109.5 |
N22—Pt2—N12 | 160.14 (16) | H93B—C93—H93C | 109.5 |
C13—Pt2—I12 | 173.3 (4) | N22—C103—C63 | 105.9 (7) |
C12—Pt2—I12 | 172.6 (4) | N22—C103—H10E | 110.6 |
N22—Pt2—I12 | 97.20 (12) | C63—C103—H10E | 110.6 |
N12—Pt2—I12 | 97.75 (11) | N22—C103—H10F | 110.6 |
C13—Pt2—I22 | 83.7 (5) | C63—C103—H10F | 110.6 |
C12—Pt2—I22 | 85.4 (4) | H10E—C103—H10F | 108.7 |
N22—Pt2—I22 | 94.64 (11) | N22—C113—H11G | 109.5 |
N12—Pt2—I22 | 95.10 (10) | N22—C113—H11H | 109.5 |
I12—Pt2—I22 | 101.569 (11) | H11G—C113—H11H | 109.5 |
Pt2—I22—I32 | 177.533 (15) | N22—C113—H11I | 109.5 |
C93—N12—C83 | 113.9 (9) | H11G—C113—H11I | 109.5 |
C72—N12—C82 | 112.2 (7) | H11H—C113—H11I | 109.5 |
C72—N12—C92 | 111.1 (6) | N22—C123—H12G | 109.5 |
C82—N12—C92 | 104.1 (6) | N22—C123—H12H | 109.5 |
C93—N12—C73 | 105.7 (7) | H12G—C123—H12H | 109.5 |
C83—N12—C73 | 102.7 (8) | N22—C123—H12I | 109.5 |
C93—N12—Pt2 | 122.7 (7) | H12G—C123—H12I | 109.5 |
C72—N12—Pt2 | 113.0 (4) | H12H—C123—H12I | 109.5 |
C83—N12—Pt2 | 105.3 (8) | O13—C133—O23 | 121.0 (7) |
C82—N12—Pt2 | 104.6 (6) | O13—C133—C43 | 126.7 (7) |
C92—N12—Pt2 | 111.4 (5) | O23—C133—C43 | 112.1 (6) |
C73—N12—Pt2 | 104.4 (4) | O33—C143—N33 | 125.9 (7) |
C103—N22—C113 | 119.2 (9) | O33—C143—C153 | 127.9 (7) |
C122—N22—C112 | 109.4 (6) | N33—C143—C153 | 106.1 (6) |
C122—N22—C102 | 107.0 (5) | C143—C153—C163 | 106.3 (6) |
C112—N22—C102 | 101.2 (6) | C143—C153—H15E | 110.5 |
C103—N22—C123 | 109.3 (7) | C163—C153—H15E | 110.5 |
C113—N22—C123 | 102.9 (7) | C143—C153—H15F | 110.5 |
C103—N22—Pt2 | 113.6 (5) | C163—C153—H15F | 110.5 |
C122—N22—Pt2 | 123.9 (5) | H15E—C153—H15F | 108.7 |
C113—N22—Pt2 | 100.2 (7) | C173—C163—C153 | 104.7 (6) |
C112—N22—Pt2 | 107.7 (5) | C173—C163—H16E | 110.8 |
C102—N22—Pt2 | 105.3 (3) | C153—C163—H16E | 110.8 |
C123—N22—Pt2 | 111.0 (6) | C173—C163—H16F | 110.8 |
N32—O22—C132 | 112.1 (6) | C153—C163—H16F | 110.8 |
C142—N32—O22 | 124.9 (5) | H16E—C163—H16F | 108.9 |
C142—N32—C172 | 115.2 (5) | O43—C173—N33 | 124.3 (7) |
O22—N32—C172 | 117.9 (5) | O43—C173—C163 | 128.7 (7) |
C22—C12—C62 | 123.0 (7) | N33—C173—C163 | 106.7 (6) |
C22—C12—Pt2 | 118.0 (5) | Cl24—C14—Cl14 | 113.0 (4) |
C62—C12—Pt2 | 118.8 (6) | Cl24—C14—H14A | 109.0 |
C12—C22—C32 | 117.8 (7) | Cl14—C14—H14A | 109.0 |
C12—C22—C72 | 114.3 (6) | Cl24—C14—H14B | 109.0 |
C32—C22—C72 | 127.8 (7) | Cl14—C14—H14B | 109.0 |
C22—C32—C42 | 120.0 (7) | H14A—C14—H14B | 107.8 |
| | | |
C11—Pt1—N11—C91 | −140.5 (3) | I12—Pt2—N22—C102 | −169.5 (4) |
N21—Pt1—N11—C91 | −174.5 (4) | I22—Pt2—N22—C102 | −67.2 (4) |
I11—Pt1—N11—C91 | 45.6 (3) | C13—Pt2—N22—C123 | 150.5 (8) |
I21—Pt1—N11—C91 | −56.7 (3) | C12—Pt2—N22—C123 | 152.9 (7) |
C11—Pt1—N11—C81 | 98.3 (3) | N12—Pt2—N22—C123 | −172.9 (6) |
N21—Pt1—N11—C81 | 64.3 (5) | I12—Pt2—N22—C123 | −34.4 (6) |
I11—Pt1—N11—C81 | −75.6 (3) | I22—Pt2—N22—C123 | 67.9 (6) |
I21—Pt1—N11—C81 | −177.9 (3) | C132—O22—N32—C142 | 76.3 (9) |
C11—Pt1—N11—C71 | −16.6 (3) | C132—O22—N32—C172 | −86.4 (8) |
N21—Pt1—N11—C71 | −50.6 (6) | C13—Pt2—C12—C22 | −169 (8) |
I11—Pt1—N11—C71 | 169.5 (3) | N22—Pt2—C12—C22 | 170.4 (10) |
I21—Pt1—N11—C71 | 67.2 (3) | N12—Pt2—C12—C22 | 1.6 (9) |
C11—Pt1—N21—C121 | 142.5 (3) | I22—Pt2—C12—C22 | −94.5 (10) |
N11—Pt1—N21—C121 | 176.4 (4) | C13—Pt2—C12—C62 | 16 (7) |
I11—Pt1—N21—C121 | −43.9 (3) | N22—Pt2—C12—C62 | −4.7 (9) |
I21—Pt1—N21—C121 | 58.6 (3) | N12—Pt2—C12—C62 | −173.5 (10) |
C11—Pt1—N21—C111 | −97.1 (3) | I22—Pt2—C12—C62 | 90.5 (10) |
N11—Pt1—N21—C111 | −63.1 (5) | C62—C12—C22—C32 | 3.6 (17) |
I11—Pt1—N21—C111 | 76.6 (3) | Pt2—C12—C22—C32 | −171.2 (8) |
I21—Pt1—N21—C111 | 179.1 (3) | C62—C12—C22—C72 | −172.6 (11) |
C11—Pt1—N21—C101 | 18.8 (3) | Pt2—C12—C22—C72 | 12.6 (14) |
N11—Pt1—N21—C101 | 52.8 (5) | C12—C22—C32—C42 | −4.6 (14) |
I11—Pt1—N21—C101 | −167.5 (3) | C72—C22—C32—C42 | 170.9 (9) |
I21—Pt1—N21—C101 | −65.0 (3) | C22—C32—C42—C52 | 4.0 (12) |
C131—O21—N31—C141 | 80.3 (5) | C22—C32—C42—C132 | 173.8 (7) |
C131—O21—N31—C171 | −97.8 (4) | C32—C42—C52—C62 | −2.1 (11) |
N21—Pt1—C11—C21 | 172.9 (3) | C132—C42—C52—C62 | −171.6 (6) |
N11—Pt1—C11—C21 | 3.4 (3) | C42—C52—C62—C12 | 0.9 (13) |
I21—Pt1—C11—C21 | −92.1 (3) | C42—C52—C62—C102 | −173.6 (8) |
N21—Pt1—C11—C61 | −4.9 (3) | C22—C12—C62—C52 | −1.7 (17) |
N11—Pt1—C11—C61 | −174.3 (4) | Pt2—C12—C62—C52 | 173.0 (7) |
I21—Pt1—C11—C61 | 90.2 (3) | C22—C12—C62—C102 | 173.6 (10) |
C61—C11—C21—C31 | 5.4 (6) | Pt2—C12—C62—C102 | −11.6 (13) |
Pt1—C11—C21—C31 | −172.2 (3) | C93—N12—C72—C22 | 156.4 (9) |
C61—C11—C21—C71 | −170.9 (4) | C83—N12—C72—C22 | −86.9 (11) |
Pt1—C11—C21—C71 | 11.5 (5) | C82—N12—C72—C22 | −91.9 (10) |
C11—C21—C31—C41 | −4.1 (6) | C92—N12—C72—C22 | 152.0 (7) |
C71—C21—C31—C41 | 171.7 (4) | C73—N12—C72—C22 | 5 (5) |
C21—C31—C41—C51 | 1.3 (6) | Pt2—N12—C72—C22 | 25.9 (9) |
C21—C31—C41—C131 | 176.3 (3) | C12—C22—C72—N12 | −25.2 (12) |
C31—C41—C51—C61 | 0.5 (6) | C32—C22—C72—N12 | 159.2 (9) |
C131—C41—C51—C61 | −174.3 (3) | C52—C62—C102—N22 | −158.3 (8) |
C41—C51—C61—C11 | 0.7 (6) | C12—C62—C102—N22 | 26.9 (11) |
C41—C51—C61—C101 | −173.9 (4) | C103—N22—C102—C62 | −158 (3) |
C21—C11—C61—C51 | −3.7 (7) | C122—N22—C102—C62 | −161.9 (7) |
Pt1—C11—C61—C51 | 173.9 (3) | C113—N22—C102—C62 | 79.7 (10) |
C21—C11—C61—C101 | 171.6 (4) | C112—N22—C102—C62 | 83.6 (8) |
Pt1—C11—C61—C101 | −10.8 (5) | C123—N22—C102—C62 | −156.6 (8) |
C31—C21—C71—N11 | 159.0 (4) | Pt2—N22—C102—C62 | −28.4 (7) |
C11—C21—C71—N11 | −25.0 (5) | N32—O22—C132—O12 | −4.4 (5) |
C91—N11—C71—C21 | 154.6 (4) | N32—O22—C132—C42 | 177.0 (3) |
C81—N11—C71—C21 | −87.5 (4) | C32—C42—C132—O12 | −7.2 (6) |
Pt1—N11—C71—C21 | 26.1 (4) | C52—C42—C132—O12 | 162.7 (6) |
C121—N21—C101—C61 | −157.6 (4) | C32—C42—C132—O22 | 171.2 (6) |
C111—N21—C101—C61 | 85.2 (4) | C52—C42—C132—O22 | −18.8 (6) |
Pt1—N21—C101—C61 | −28.6 (4) | O22—N32—C142—O32 | 7.8 (15) |
C51—C61—C101—N21 | −158.9 (4) | C172—N32—C142—O32 | 170.9 (10) |
C11—C61—C101—N21 | 26.3 (5) | O22—N32—C142—C152 | −170.4 (9) |
N31—O21—C131—O11 | −4.8 (4) | C172—N32—C142—C152 | −7.3 (13) |
N31—O21—C131—C41 | 176.7 (2) | O32—C142—C152—C162 | −176.8 (12) |
C31—C41—C131—O11 | −1.5 (3) | N32—C142—C152—C162 | 1.2 (13) |
C51—C41—C131—O11 | 173.5 (4) | C142—C152—C162—C172 | 4.5 (14) |
C31—C41—C131—O21 | 176.9 (3) | C142—N32—C172—O42 | −165.6 (11) |
C51—C41—C131—O21 | −8.1 (4) | O22—N32—C172—O42 | −1.2 (16) |
O21—N31—C141—O31 | 0.8 (7) | C142—N32—C172—C162 | 10.3 (13) |
C171—N31—C141—O31 | 179.1 (5) | O22—N32—C172—C162 | 174.7 (9) |
O21—N31—C141—C151 | 179.2 (4) | C152—C162—C172—O42 | 167.1 (13) |
C171—N31—C141—C151 | −2.6 (6) | C152—C162—C172—N32 | −8.5 (13) |
O31—C141—C151—C161 | 179.0 (5) | C133—O23—N33—C143 | −87.1 (11) |
N31—C141—C151—C161 | 0.7 (6) | C133—O23—N33—C173 | 79.5 (10) |
C141—C151—C161—C171 | 1.1 (6) | C12—Pt2—C13—C23 | 10 (6) |
C141—N31—C171—O41 | −177.1 (5) | N22—Pt2—C13—C23 | 169.4 (13) |
O21—N31—C171—O41 | 1.2 (7) | N12—Pt2—C13—C23 | 1.1 (12) |
C141—N31—C171—C161 | 3.3 (6) | I22—Pt2—C13—C23 | −94.6 (13) |
O21—N31—C171—C161 | −178.4 (4) | C12—Pt2—C13—C63 | −169 (8) |
C151—C161—C171—O41 | 177.9 (5) | N22—Pt2—C13—C63 | −9.6 (11) |
C151—C161—C171—N31 | −2.5 (5) | N12—Pt2—C13—C63 | −177.9 (12) |
C13—Pt2—N12—C93 | −131.5 (9) | I22—Pt2—C13—C63 | 86.5 (11) |
C12—Pt2—N12—C93 | −132.6 (8) | C63—C13—C23—C33 | 7 (2) |
N22—Pt2—N12—C93 | −167.3 (8) | Pt2—C13—C23—C33 | −171.6 (10) |
I12—Pt2—N12—C93 | 54.2 (7) | C63—C13—C23—C73 | −169.4 (13) |
I22—Pt2—N12—C93 | −48.2 (7) | Pt2—C13—C23—C73 | 11.8 (18) |
C13—Pt2—N12—C72 | −15.0 (7) | C13—C23—C33—C43 | −3.7 (18) |
C12—Pt2—N12—C72 | −16.0 (6) | C73—C23—C33—C43 | 172.4 (12) |
N22—Pt2—N12—C72 | −50.7 (7) | C23—C33—C43—C53 | −3.3 (16) |
I12—Pt2—N12—C72 | 170.8 (5) | C23—C33—C43—C133 | 179.2 (10) |
I22—Pt2—N12—C72 | 68.3 (5) | C33—C43—C53—C63 | 6.9 (15) |
C13—Pt2—N12—C83 | 96.1 (9) | C133—C43—C53—C63 | −175.4 (8) |
C12—Pt2—N12—C83 | 95.1 (8) | C43—C53—C63—C13 | −3.4 (16) |
N22—Pt2—N12—C83 | 60.4 (9) | C43—C53—C63—C103 | 179.0 (10) |
I12—Pt2—N12—C83 | −78.1 (7) | C23—C13—C63—C53 | −4 (2) |
I22—Pt2—N12—C83 | 179.4 (7) | Pt2—C13—C63—C53 | 175.2 (9) |
C13—Pt2—N12—C82 | 107.3 (8) | C23—C13—C63—C103 | 174.3 (13) |
C12—Pt2—N12—C82 | 106.2 (7) | Pt2—C13—C63—C103 | −6.8 (16) |
N22—Pt2—N12—C82 | 71.5 (7) | C13—C23—C73—N12 | −21.5 (16) |
I12—Pt2—N12—C82 | −67.0 (6) | C33—C23—C73—N12 | 162.2 (12) |
I22—Pt2—N12—C82 | −169.4 (6) | C93—N12—C73—C23 | 151.1 (11) |
C13—Pt2—N12—C92 | −140.9 (7) | C72—N12—C73—C23 | −179 (6) |
C12—Pt2—N12—C92 | −142.0 (6) | C83—N12—C73—C23 | −89.2 (13) |
N22—Pt2—N12—C92 | −176.7 (5) | C82—N12—C73—C23 | −92.5 (12) |
I12—Pt2—N12—C92 | 44.8 (5) | C92—N12—C73—C23 | 145.3 (10) |
I22—Pt2—N12—C92 | −57.6 (5) | Pt2—N12—C73—C23 | 20.5 (11) |
C13—Pt2—N12—C73 | −11.7 (7) | C122—N22—C103—C63 | −164.6 (8) |
C12—Pt2—N12—C73 | −12.8 (7) | C113—N22—C103—C63 | 82.7 (11) |
N22—Pt2—N12—C73 | −47.5 (7) | C112—N22—C103—C63 | 83.8 (9) |
I12—Pt2—N12—C73 | 174.0 (5) | C102—N22—C103—C63 | 20 (2) |
I22—Pt2—N12—C73 | 71.6 (5) | C123—N22—C103—C63 | −159.6 (8) |
C13—Pt2—N22—C103 | 27.0 (8) | Pt2—N22—C103—C63 | −35.1 (9) |
C12—Pt2—N22—C103 | 29.3 (7) | C53—C63—C103—N22 | −154.5 (10) |
N12—Pt2—N22—C103 | 63.5 (8) | C13—C63—C103—N22 | 27.7 (14) |
I12—Pt2—N22—C103 | −157.9 (6) | N33—O23—C133—O13 | 3.6 (6) |
I22—Pt2—N22—C103 | −55.6 (6) | N33—O23—C133—C43 | −172.9 (6) |
C13—Pt2—N22—C122 | 138.7 (7) | C33—C43—C133—O13 | 164.2 (7) |
C12—Pt2—N22—C122 | 141.0 (7) | C53—C43—C133—O13 | −13.5 (11) |
N12—Pt2—N22—C122 | 175.2 (6) | C33—C43—C133—O23 | −19.5 (11) |
I12—Pt2—N22—C122 | −46.2 (5) | C53—C43—C133—O23 | 162.8 (7) |
I22—Pt2—N22—C122 | 56.1 (5) | O23—N33—C143—O33 | −7 (2) |
C13—Pt2—N22—C113 | −101.3 (8) | C173—N33—C143—O33 | −173.7 (13) |
C12—Pt2—N22—C113 | −99.0 (8) | O23—N33—C143—C153 | 170.1 (11) |
N12—Pt2—N22—C113 | −64.8 (8) | C173—N33—C143—C153 | 2.9 (16) |
I12—Pt2—N22—C113 | 73.8 (6) | O33—C143—C153—C163 | 170.2 (15) |
I22—Pt2—N22—C113 | 176.1 (6) | N33—C143—C153—C163 | −6.3 (18) |
C13—Pt2—N22—C112 | −91.9 (7) | C143—C153—C163—C173 | 7.3 (18) |
C12—Pt2—N22—C112 | −89.5 (6) | C143—N33—C173—O43 | 176.8 (12) |
N12—Pt2—N22—C112 | −55.3 (7) | O23—N33—C173—O43 | 9.2 (17) |
I12—Pt2—N22—C112 | 83.2 (5) | C143—N33—C173—C163 | 1.9 (15) |
I22—Pt2—N22—C112 | −174.5 (5) | O23—N33—C173—C163 | −165.7 (11) |
C13—Pt2—N22—C102 | 15.4 (6) | C153—C163—C173—O43 | 179.7 (14) |
C12—Pt2—N22—C102 | 17.8 (5) | C153—C163—C173—N33 | −5.7 (16) |
N12—Pt2—N22—C102 | 52.0 (6) | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C161—H16A···O11i | 0.99 | 2.46 | 3.296 (7) | 142 |
Symmetry code: (i) −x+1, −y, −z+1. |
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