1-(4-Fluoro­benzyl)­pyridinium bis­(maleo­nitrile­di­thiol­ato)­platinate(III)

Ren, X.; Xie, J.; Meng, Q.

doi:10.1107/S1600536803019160

1-(4-Fluorobenzyl)pyridinium bis(maleonitriledithiolato)platinate(III)

In the title compound, (C₁₂H₁₁FN)[Pt(C₄N₂S₂)₂], the planar Pt^III complex anions stack into columns along the b axis, and these anionic columns are further connected by anion dimers to form a two-dimensional network in the ab plane. The cations stack into a two-dimensional network in the ac plane by weak π–π interactions. The networks of both anions and cations intercalate to give a three-dimensional solid.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803019160/ob6290sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536803019160/ob6290Isup2.hkl Contains datablock I

CCDC reference: 208361

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.023 Å
R factor = 0.052
wR factor = 0.135
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.99
PLAT342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ...         23

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....          6
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C30
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C35
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C40
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C42
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C54
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C56
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C27
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C43
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C46
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C55
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C58
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C4
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc.
PLAT334_ALERT_2_C Small Av Benzene C-C Dist. C55    -   C60      =       1.34 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C25    -   C26      =       1.36 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C26    -   C27      =       1.34 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C27    -   C28      =       1.39 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C28    -   C29      =       1.32 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C33    -   C34      =       1.32 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C34    -   C35      =       1.36 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C35    -   C36      =       1.34 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C2       =       1.42 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C3     -   C4       =       1.46 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C5     -   C6       =       1.46 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C7     -   C8       =       1.42 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C9     -   C10      =       1.46 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C11    -   C12      =       1.44 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C13    -   C14      =       1.43 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C15    -   C16      =       1.42 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C17    -   C18      =       1.42 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C21    -   C22      =       1.48 Ang.
PLAT751_ALERT_4_C Bond    Calc     1.35800, Rep    1.358(6) ......  Senseless su
              C37  -N14     1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.35854, Rep    1.358(6) ......  Senseless su
              C37  -C38     1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.35762, Rep    1.358(6) ......  Senseless su
              C38  -C39     1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.35800, Rep    1.358(6) ......  Senseless su
              C39  -C40     1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.35868, Rep    1.358(6) ......  Senseless su
              C40  -C41     1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.35735, Rep    1.358(6) ......  Senseless su
              C41  -N14     1.555   1.555

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  39 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
  30 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL.

(I) top

Crystal data top

(C₁₂H₁₁FN)[Pt(C₄N₂S₂)₂]	Z = 6
M_r = 663.67	F(000) = 1902
Triclinic, P1	D_x = 2.006 Mg m⁻³
a = 13.631 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 14.297 (4) Å	Cell parameters from 25 reflections
c = 18.557 (5) Å	θ = 3.6–16.5°
α = 99.71 (1)°	µ = 6.79 mm⁻¹
β = 99.01 (1)°	T = 293 K
γ = 108.39 (1)°	Block, brown
V = 3296.4 (15) Å³	0.20 × 0.15 × 0.10 mm

Data collection top

CCD area detector diffractometer	11415 independent reflections
Radiation source: fine-focus sealed tube	7990 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.049
ω scans	θ_max = 25.0°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −16→16
T_min = 0.293, T_max = 0.507	k = −16→16
16959 measured reflections	l = −12→22

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.135	H-atom parameters constrained
S = 1.09	w = 1/[σ²(F_o²) + (0.06P)² + 1.55P] where P = (F_o² + 2F_c²)/3
11415 reflections	(Δ/σ)_max = 0.001
836 parameters	Δρ_max = 1.97 e Å⁻³
44 restraints	Δρ_min = −1.34 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.

Equation of plane (1) defined by S(1), S(2), S(3) and S(4) atoms 4.6988 (134) x - 14.2000 (44) y + 4.9605 (189) z = 3.0134 (110) Rms deviation of fitted atoms = 0.0043

atoms Deviations atoms Deviations

S1 * 0.0044 C1 0.0893 S2 *-0.0043 C2 0.0866 S3 * 0.0043 C3 0.0611 S4 *-0.0044 C4 0.1251 Pt1 - 0.0059 C5 0.1674 N1 0.0169 C6 0.0746 N2 0.1802 C7 0.0409 N3 0.3118 C8 0.0955 N4 0.1392

Equation of plane (2) defined by S(5), S(6), S(7) and S(8) atoms - 4.4617 (123) x + 14.2240 (42) y - 4.8374 (170) z = 0.6920 (90) Rms deviation of fitted atoms = 0.0060

S5 * 0.0060 C9 - 0.0044 S6 *-0.0059 C10 - 0.0073 S7 * 0.0059 C11 - 0.0117 S8 *-0.0060 C12 0.0042 Pt2 0.0060 C13 - 0.1001 N5 0.0155 C14 - 0.0173 N6 0.0038 C15 0.0162 N7 - 0.1927 C16 - 0.0213 N8 - 0.0929

Equation of plane (3) defined by S(9), S(10), S(11) and S(12) atoms 12.9708 (53) x - 0.7785 (134) y - 0.9162 (173) z = 10.3808 (76) Rms deviation of fitted atoms = 0.0088

S9 * 0.0089 C17 0.0349 S10 *-0.0088 C18 - 0.0203 S11 *-0.0089 C19 - 0.0367 S12 * 0.0088 C20 - 0.0580 Pt3 - 0.0039 C21 - 0.0161 N9 0.0973 C22 - 0.0178 N10 - 0.0366 C23 - 0.0174 N11 0.0214 C24 - 0.0078 N12 0.0379

* indicates atom used to define plane

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	U_iso*/U_eq	Occ. (<1)
Pt1	0.50067 (4)	0.14018 (3)	0.53332 (3)	0.05636 (15)
Pt2	0.46350 (3)	0.35139 (3)	0.46145 (2)	0.04163 (13)
Pt3	0.86230 (3)	0.46723 (3)	0.48470 (2)	0.04026 (13)
S1	0.3702 (3)	0.0601 (2)	0.4298 (2)	0.0684 (8)
S2	0.6246 (3)	0.1564 (2)	0.4628 (2)	0.0655 (9)
S3	0.6301 (3)	0.2189 (2)	0.6381 (2)	0.0716 (10)
S4	0.3753 (3)	0.1226 (2)	0.6020 (2)	0.0666 (9)
S5	0.5803 (2)	0.3625 (2)	0.38647 (16)	0.0518 (7)
S6	0.3269 (2)	0.2733 (2)	0.36031 (17)	0.0555 (8)
S7	0.3474 (2)	0.3409 (2)	0.53769 (16)	0.0537 (7)
S8	0.6003 (2)	0.4277 (2)	0.56221 (16)	0.0482 (7)
S9	0.8490 (2)	0.3252 (2)	0.40254 (16)	0.0502 (7)
S10	0.8602 (2)	0.5498 (2)	0.39086 (16)	0.0530 (7)
S11	0.8635 (2)	0.3836 (2)	0.57789 (15)	0.0484 (7)
S12	0.8777 (2)	0.6094 (2)	0.56791 (15)	0.0490 (7)
N1	0.3318 (16)	−0.0239 (14)	0.2282 (10)	0.136 (6)
N2	0.6426 (13)	0.0810 (11)	0.2670 (8)	0.120 (6)
N3	0.6614 (16)	0.2804 (12)	0.8466 (9)	0.140 (7)
N4	0.3446 (14)	0.1695 (11)	0.7942 (8)	0.118 (5)
N5	0.5849 (11)	0.2968 (14)	0.1869 (7)	0.122 (6)
N6	0.2803 (10)	0.1888 (11)	0.1529 (7)	0.105 (5)
N7	0.3406 (11)	0.3927 (11)	0.7373 (7)	0.096 (4)
N8	0.6582 (11)	0.5088 (10)	0.7651 (6)	0.089 (4)
N9	0.8360 (10)	0.2298 (10)	0.2033 (6)	0.089 (4)
N10	0.8410 (10)	0.5052 (10)	0.1868 (6)	0.090 (4)
N11	0.8822 (10)	0.4185 (8)	0.7799 (6)	0.076 (3)
N12	0.9000 (9)	0.7110 (9)	0.7659 (6)	0.072 (3)
C1	0.3824 (16)	0.0088 (12)	0.2883 (12)	0.095 (5)
C2	0.4429 (13)	0.0549 (9)	0.3626 (8)	0.070 (4)
C3	0.5497 (12)	0.0964 (11)	0.3751 (9)	0.080 (4)
C4	0.6046 (13)	0.0888 (11)	0.3143 (9)	0.083 (4)
C5	0.6154 (14)	0.2537 (12)	0.7846 (11)	0.094 (5)
C6	0.5583 (11)	0.2140 (10)	0.7064 (9)	0.077 (4)
C7	0.4499 (12)	0.1754 (10)	0.6917 (8)	0.070 (4)
C8	0.3910 (13)	0.1718 (11)	0.7483 (9)	0.082 (4)
C9	0.5472 (11)	0.3006 (12)	0.2371 (8)	0.081 (4)
C10	0.4976 (10)	0.3066 (9)	0.3009 (6)	0.057 (3)
C11	0.3901 (10)	0.2682 (9)	0.2882 (6)	0.058 (3)
C12	0.3273 (10)	0.2240 (11)	0.2130 (8)	0.070 (4)
C13	0.3792 (11)	0.3940 (11)	0.6865 (7)	0.071 (4)
C14	0.4308 (10)	0.3951 (10)	0.6250 (6)	0.056 (3)
C15	0.5379 (10)	0.4342 (9)	0.6341 (6)	0.053 (3)
C16	0.6038 (10)	0.4771 (9)	0.7073 (7)	0.061 (3)
C17	0.8384 (9)	0.2899 (10)	0.2546 (7)	0.059 (3)
C18	0.8430 (8)	0.3610 (7)	0.3199 (6)	0.043 (3)
C19	0.8473 (9)	0.4597 (8)	0.3142 (6)	0.048 (3)
C20	0.8420 (10)	0.4828 (10)	0.2432 (7)	0.064 (3)
C21	0.8770 (10)	0.4440 (9)	0.7258 (7)	0.057 (3)
C22	0.8735 (8)	0.4734 (8)	0.6532 (6)	0.044 (3)
C23	0.8793 (8)	0.5713 (9)	0.6515 (6)	0.050 (3)
C24	0.8890 (9)	0.6453 (9)	0.7155 (7)	0.052 (3)
C25	0.9537 (12)	0.5884 (8)	1.0487 (7)	0.058 (3)
H25A	0.9355	0.5633	1.0897	0.069*
C26	1.0545 (12)	0.6499 (12)	1.0542 (7)	0.074 (4)
H26A	1.1048	0.6683	1.0990	0.089*
C27	1.0810 (13)	0.6842 (10)	0.9945 (10)	0.074 (4)
H27	1.1505	0.7257	0.9981	0.089*	0.50
F1'	1.1754 (18)	0.7383 (19)	0.9940 (12)	0.141 (8)	0.50
C28	1.0066 (14)	0.6587 (11)	0.9272 (8)	0.083 (5)
H28A	1.0264	0.6790	0.8850	0.099*
C29	0.9072 (12)	0.6049 (10)	0.9248 (7)	0.070 (4)
H29A	0.8548	0.5948	0.8827	0.084*
N13	0.8797 (10)	0.5631 (8)	0.9846 (6)	0.063 (3)	0.50
C31'	0.8797 (10)	0.5631 (8)	0.9846 (6)	0.063 (3)	0.50
C30	0.7717 (12)	0.5008 (10)	0.9783 (9)	0.089 (5)
H30A	0.7723	0.4535	1.0101	0.107*
H30B	0.7440	0.4611	0.9270	0.107*
C31	0.6952 (10)	0.5501 (9)	0.9974 (7)	0.071 (3)	0.50
N13'	0.6952 (10)	0.5501 (9)	0.9974 (7)	0.071 (3)	0.50
C32	0.6783 (11)	0.5668 (10)	1.0643 (8)	0.066 (3)
H32A	0.7142	0.5466	1.1021	0.079*
C33	0.6064 (12)	0.6152 (11)	1.0805 (8)	0.079 (4)
H33A	0.5937	0.6268	1.1285	0.095*
C34	0.5576 (12)	0.6435 (11)	1.0259 (10)	0.086 (3)
H34A	0.5083	0.6737	1.0355	0.103*	0.50
F1	0.4899 (13)	0.6935 (11)	1.0358 (9)	0.086 (3)	0.50
C35	0.5770 (15)	0.6299 (15)	0.9562 (9)	0.106 (6)
H35A	0.5413	0.6497	0.9180	0.127*
C36	0.6494 (13)	0.5871 (12)	0.9438 (8)	0.086 (5)
H36A	0.6685	0.5827	0.8977	0.103*
C37	0.9138 (8)	0.8861 (10)	0.2624 (5)	0.090 (5)
H37A	0.8535	0.9026	0.2651	0.108*
C38	0.9052 (9)	0.7874 (9)	0.2430 (5)	0.097 (5)
H38A	0.8391	0.7364	0.2323	0.116*
C39	0.9932 (13)	0.7633 (8)	0.2390 (5)	0.103 (6)
H39A	0.9874	0.6958	0.2257	0.123*
C40	1.0898 (11)	0.8378 (11)	0.2545 (6)	0.118 (6)
H40A	1.1501	0.8213	0.2518	0.142*
C41	1.0984 (8)	0.9365 (9)	0.2740 (5)	0.099 (5)
H41A	1.1645	0.9875	0.2846	0.119*
N14	1.0104 (10)	0.9606 (7)	0.2779 (5)	0.083 (3)
C42	1.0178 (15)	1.0718 (10)	0.3001 (8)	0.099 (6)
H42A	1.0851	1.1160	0.2943	0.119*
H42B	0.9614	1.0823	0.2673	0.119*
C43	1.0087 (12)	1.0976 (9)	0.3794 (8)	0.072 (4)
C44	0.9104 (13)	1.0933 (10)	0.3919 (9)	0.083 (4)
H44	0.8530	1.0749	0.3515	0.100*
C45	0.8970 (13)	1.1158 (12)	0.4634 (11)	0.089 (5)
H45	0.8313	1.1143	0.4724	0.107*
C46	0.9810 (18)	1.1401 (11)	0.5201 (9)	0.084 (5)
C47	1.0781 (15)	1.1447 (11)	0.5137 (10)	0.090 (5)
H47	1.1335	1.1612	0.5553	0.108*
C48	1.0919 (12)	1.1223 (10)	0.4381 (9)	0.081 (4)
H48	1.1581	1.1249	0.4297	0.097*
C49	0.6749 (15)	−0.0037 (17)	−0.0203 (11)	0.123 (3)
H49	0.7005	−0.0548	−0.0366	0.147*
C50	0.6390 (16)	0.0362 (17)	−0.0675 (11)	0.129 (3)
H50	0.6370	0.0144	−0.1180	0.154*
C51	0.6010 (16)	0.1149 (17)	−0.0440 (11)	0.129 (3)
H51	0.5782	0.1473	−0.0792	0.155*
C52	0.5971 (16)	0.1447 (16)	0.0297 (10)	0.127 (3)
H52	0.5682	0.1934	0.0455	0.152*
C53	0.6384 (15)	0.0977 (16)	0.0776 (10)	0.123 (3)
H53	0.6405	0.1149	0.1285	0.148*
N15	0.6784 (13)	0.0218 (14)	0.0490 (9)	0.120 (3)
C54	0.7198 (17)	−0.0245 (15)	0.1010 (12)	0.137 (8)
H54A	0.6711	−0.0930	0.0947	0.165*
H54B	0.7273	0.0128	0.1515	0.165*
C55	0.8304 (15)	−0.0274 (13)	0.0897 (10)	0.094 (5)
C56	0.8306 (15)	−0.1227 (15)	0.0623 (11)	0.120 (6)
H56	0.7664	−0.1766	0.0462	0.144*
C57	0.9215 (17)	−0.1403 (12)	0.0579 (9)	0.091 (5)
H57	0.9223	−0.2048	0.0403	0.110*
C58	1.0123 (13)	−0.0564 (16)	0.0814 (8)	0.083 (5)
C59	1.0125 (13)	0.0367 (12)	0.1060 (8)	0.078 (4)
H59	1.0755	0.0921	0.1210	0.094*
C60	0.9206 (15)	0.0479 (13)	0.1084 (8)	0.086 (4)
H60	0.9201	0.1131	0.1242	0.103*
F2	0.9696 (11)	1.1599 (9)	0.5900 (6)	0.154 (5)
F3	1.1049 (9)	−0.0719 (11)	0.0765 (6)	0.157 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pt1	0.0500 (3)	0.0368 (3)	0.0872 (4)	0.0158 (2)	0.0248 (3)	0.0174 (2)
Pt2	0.0362 (3)	0.0371 (2)	0.0510 (3)	0.01165 (19)	0.00572 (19)	0.01502 (19)
Pt3	0.0346 (3)	0.0433 (2)	0.0437 (2)	0.01149 (19)	0.00873 (18)	0.01701 (18)
S1	0.054 (2)	0.0554 (19)	0.095 (2)	0.0177 (16)	0.0201 (12)	0.0164 (16)
S2	0.055 (2)	0.0554 (19)	0.090 (2)	0.0186 (16)	0.0297 (18)	0.0159 (17)
S3	0.052 (2)	0.0554 (19)	0.099 (3)	0.0077 (16)	0.0224 (19)	0.0121 (18)
S4	0.055 (2)	0.0556 (19)	0.088 (2)	0.0131 (16)	0.0273 (18)	0.0177 (17)
S5	0.0337 (16)	0.0597 (18)	0.0582 (17)	0.0120 (14)	0.0068 (13)	0.0155 (14)
S6	0.0380 (17)	0.0639 (19)	0.0577 (18)	0.0106 (14)	0.0085 (14)	0.0123 (15)
S7	0.0390 (17)	0.0671 (19)	0.0579 (18)	0.0194 (15)	0.0109 (14)	0.0202 (15)
S8	0.0406 (17)	0.0449 (16)	0.0561 (17)	0.0105 (13)	0.0073 (13)	0.0157 (13)
S9	0.0527 (19)	0.0469 (16)	0.0511 (16)	0.0149 (14)	0.0145 (14)	0.0144 (13)
S10	0.055 (2)	0.0566 (18)	0.0513 (17)	0.0196 (15)	0.0104 (14)	0.0246 (14)
S11	0.0462 (18)	0.0506 (16)	0.0532 (17)	0.0162 (14)	0.0145 (13)	0.0228 (13)
S12	0.0494 (18)	0.0488 (16)	0.0507 (16)	0.0180 (14)	0.0094 (13)	0.0171 (13)
N1	0.153 (18)	0.121 (14)	0.121 (14)	0.037 (12)	0.012 (12)	0.031 (12)
N2	0.144 (14)	0.097 (11)	0.108 (11)	0.001 (9)	0.086 (11)	0.019 (9)
N3	0.159 (17)	0.104 (12)	0.111 (12)	0.004 (11)	0.003 (12)	0.012 (10)
N4	0.143 (14)	0.111 (12)	0.101 (11)	0.031 (10)	0.066 (10)	0.016 (9)
N5	0.071 (10)	0.232 (19)	0.072 (9)	0.060 (11)	0.030 (8)	0.035 (10)
N6	0.078 (10)	0.144 (13)	0.065 (8)	0.029 (9)	−0.004 (7)	−0.016 (8)
N7	0.105 (11)	0.136 (12)	0.077 (8)	0.059 (9)	0.038 (8)	0.056 (8)
N8	0.094 (10)	0.096 (9)	0.061 (7)	0.018 (8)	−0.003 (7)	0.027 (7)
N9	0.087 (9)	0.096 (9)	0.073 (8)	0.021 (7)	0.030 (7)	−0.003 (7)
N10	0.085 (9)	0.133 (11)	0.062 (7)	0.036 (8)	0.023 (7)	0.049 (8)
N11	0.103 (10)	0.076 (8)	0.065 (7)	0.034 (7)	0.028 (6)	0.048 (6)
N12	0.066 (8)	0.076 (8)	0.069 (7)	0.023 (6)	0.005 (6)	0.011 (6)
C1	0.109 (15)	0.054 (9)	0.133 (16)	0.028 (10)	0.033 (12)	0.045 (11)
C2	0.092 (12)	0.044 (7)	0.075 (9)	0.024 (8)	0.014 (8)	0.019 (7)
C3	0.059 (10)	0.080 (10)	0.101 (11)	0.027 (8)	0.019 (8)	0.012 (8)
C4	0.080 (11)	0.077 (10)	0.095 (12)	0.022 (9)	0.033 (9)	0.027 (9)
C5	0.079 (12)	0.076 (11)	0.118 (14)	0.019 (9)	0.016 (11)	0.023 (11)
C6	0.050 (9)	0.053 (8)	0.111 (12)	0.001 (7)	0.007 (8)	0.016 (8)
C7	0.083 (11)	0.053 (8)	0.079 (9)	0.021 (7)	0.028 (8)	0.021 (7)
C8	0.098 (12)	0.060 (9)	0.097 (12)	0.028 (8)	0.047 (10)	0.021 (8)
C9	0.045 (9)	0.119 (13)	0.074 (10)	0.034 (9)	0.002 (7)	0.013 (9)
C10	0.045 (8)	0.065 (8)	0.059 (7)	0.025 (6)	0.007 (6)	0.006 (6)
C11	0.051 (8)	0.062 (8)	0.052 (7)	0.015 (6)	−0.001 (6)	0.011 (6)
C12	0.048 (8)	0.093 (10)	0.064 (9)	0.023 (7)	0.015 (7)	0.009 (8)
C13	0.074 (10)	0.104 (11)	0.050 (8)	0.043 (9)	0.015 (7)	0.033 (8)
C14	0.047 (8)	0.097 (9)	0.038 (6)	0.040 (7)	0.011 (5)	0.025 (6)
C15	0.067 (9)	0.055 (7)	0.047 (7)	0.031 (7)	0.011 (6)	0.021 (5)
C16	0.064 (9)	0.058 (8)	0.057 (8)	0.020 (7)	−0.006 (7)	0.022 (6)
C17	0.038 (7)	0.078 (9)	0.056 (8)	0.013 (6)	0.015 (6)	0.012 (7)
C18	0.038 (6)	0.040 (6)	0.051 (6)	0.010 (5)	0.014 (5)	0.019 (5)
C19	0.050 (7)	0.046 (6)	0.050 (7)	0.013 (5)	0.011 (5)	0.024 (5)
C20	0.053 (8)	0.090 (10)	0.050 (7)	0.016 (7)	0.021 (6)	0.027 (7)
C21	0.054 (8)	0.060 (8)	0.053 (7)	0.020 (6)	0.008 (6)	0.009 (6)
C22	0.037 (6)	0.044 (6)	0.055 (7)	0.013 (5)	0.013 (5)	0.025 (5)
C23	0.027 (6)	0.075 (8)	0.045 (6)	0.021 (6)	0.000 (5)	0.012 (6)
C24	0.048 (8)	0.047 (7)	0.060 (8)	0.018 (6)	−0.001 (6)	0.020 (6)
C25	0.089 (11)	0.030 (6)	0.065 (8)	0.022 (7)	0.037 (8)	0.019 (6)
C26	0.081 (11)	0.109 (12)	0.039 (7)	0.043 (10)	0.016 (7)	0.016 (7)
C27	0.069 (10)	0.050 (8)	0.120 (14)	0.026 (7)	0.043 (10)	0.028 (8)
F1'	0.094 (17)	0.17 (2)	0.135 (17)	0.025 (15)	0.038 (14)	0.018 (15)
C28	0.122 (15)	0.101 (12)	0.049 (8)	0.055 (11)	0.037 (9)	0.033 (8)
C29	0.081 (11)	0.079 (10)	0.058 (8)	0.034 (9)	0.023 (8)	0.017 (7)
N13	0.084 (10)	0.056 (7)	0.060 (7)	0.031 (7)	0.030 (7)	0.013 (6)
C31'	0.084 (10)	0.056 (7)	0.060 (7)	0.031 (7)	0.030 (7)	0.013 (6)
C30	0.073 (11)	0.056 (9)	0.123 (13)	0.007 (8)	0.036 (9)	0.004 (8)
C31	0.064 (9)	0.071 (8)	0.062 (8)	0.016 (7)	0.001 (7)	0.003 (7)
N13'	0.064 (9)	0.071 (8)	0.062 (8)	0.016 (7)	0.001 (7)	0.003 (7)
C32	0.065 (9)	0.072 (9)	0.065 (9)	0.025 (7)	0.015 (7)	0.027 (7)
C33	0.091 (12)	0.086 (10)	0.057 (8)	0.035 (9)	0.005 (8)	0.013 (7)
C34	0.073 (8)	0.079 (8)	0.109 (9)	0.032 (6)	0.016 (7)	0.026 (7)
F1	0.073 (8)	0.079 (8)	0.110 (9)	0.032 (6)	0.016 (7)	0.027 (7)
C35	0.113 (15)	0.154 (17)	0.071 (11)	0.074 (14)	0.007 (10)	0.044 (11)
C36	0.079 (12)	0.096 (12)	0.068 (10)	0.010 (9)	0.017 (8)	0.018 (9)
C37	0.087 (13)	0.103 (13)	0.070 (10)	0.028 (11)	0.008 (9)	0.012 (9)
C38	0.081 (13)	0.097 (13)	0.072 (10)	−0.011 (10)	0.014 (9)	−0.002 (9)
C39	0.122 (16)	0.089 (12)	0.081 (11)	0.009 (12)	0.047 (11)	0.013 (9)
C40	0.14 (2)	0.098 (14)	0.130 (16)	0.048 (14)	0.034 (13)	0.033 (12)
C41	0.073 (12)	0.117 (15)	0.113 (13)	0.025 (11)	0.035 (10)	0.048 (12)
N14	0.098 (10)	0.075 (8)	0.064 (7)	0.015 (8)	0.018 (7)	0.018 (6)
C42	0.173 (18)	0.052 (9)	0.082 (11)	0.034 (10)	0.050 (11)	0.033 (8)
C43	0.077 (11)	0.033 (7)	0.103 (11)	0.015 (7)	0.013 (9)	0.031 (7)
C44	0.094 (13)	0.074 (10)	0.100 (12)	0.053 (9)	0.015 (10)	0.032 (9)
C45	0.078 (12)	0.092 (12)	0.112 (14)	0.042 (10)	0.025 (11)	0.039 (10)
C46	0.134 (17)	0.060 (9)	0.073 (11)	0.035 (10)	0.048 (11)	0.031 (8)
C47	0.090 (13)	0.077 (10)	0.097 (13)	0.027 (10)	0.004 (10)	0.028 (9)
C48	0.057 (10)	0.065 (9)	0.095 (11)	−0.004 (7)	−0.001 (8)	0.016 (8)
C49	0.118 (7)	0.176 (8)	0.104 (6)	0.076 (6)	0.030 (6)	0.059 (7)
C50	0.122 (7)	0.181 (8)	0.106 (6)	0.070 (6)	0.031 (6)	0.056 (7)
C51	0.123 (7)	0.180 (8)	0.107 (6)	0.067 (6)	0.029 (6)	0.060 (7)
C52	0.121 (7)	0.177 (8)	0.106 (6)	0.069 (6)	0.028 (6)	0.060 (7)
C53	0.118 (7)	0.176 (8)	0.103 (6)	0.072 (6)	0.028 (6)	0.061 (6)
N15	0.116 (7)	0.173 (8)	0.102 (6)	0.077 (6)	0.028 (6)	0.064 (6)
C54	0.141 (19)	0.129 (16)	0.19 (2)	0.067 (15)	0.078 (17)	0.091 (16)
C55	0.089 (13)	0.081 (11)	0.133 (14)	0.057 (11)	0.016 (11)	0.034 (11)
C56	0.076 (13)	0.106 (15)	0.140 (16)	0.004 (11)	0.008 (11)	0.000 (12)
C57	0.124 (16)	0.062 (10)	0.106 (12)	0.045 (11)	0.047 (12)	0.021 (9)
C58	0.067 (11)	0.148 (17)	0.059 (9)	0.056 (12)	0.024 (8)	0.043 (10)
C59	0.067 (11)	0.074 (10)	0.075 (10)	0.006 (8)	0.013 (8)	0.006 (8)
C60	0.082 (13)	0.087 (12)	0.083 (11)	0.028 (10)	0.018 (9)	0.011 (9)
F2	0.226 (14)	0.156 (10)	0.104 (8)	0.087 (10)	0.055 (8)	0.037 (7)
F3	0.106 (9)	0.243 (14)	0.162 (10)	0.095 (10)	0.055 (8)	0.065 (10)

Geometric parameters (Å, º) top

Pt1—S1	2.250 (4)	C30—C31	1.485 (17)
Pt1—S3	2.256 (4)	C30—H30A	0.9700
Pt1—S4	2.265 (3)	C30—H30B	0.9700
Pt1—S2	2.272 (3)	C31—C32	1.294 (16)
Pt2—S8	2.258 (3)	C31—C36	1.361 (18)
Pt2—S5	2.260 (3)	C32—C33	1.407 (18)
Pt2—S6	2.263 (3)	C32—H32A	0.9300
Pt2—S7	2.269 (3)	C33—C34	1.315 (18)
Pt3—S9	2.262 (3)	C33—H33A	0.9300
Pt3—S11	2.263 (3)	C34—F1	1.350 (19)
Pt3—S10	2.263 (3)	C34—C35	1.36 (2)
Pt3—S12	2.265 (3)	C34—H34A	0.9300
S1—C2	1.716 (15)	C35—C36	1.34 (2)
S2—C3	1.698 (15)	C35—H35A	0.9300
S3—C6	1.716 (16)	C36—H36A	0.9300
S4—C7	1.713 (14)	C37—N14	1.358 (6)
S5—C10	1.696 (11)	C37—C38	1.358 (6)
S6—C11	1.704 (13)	C37—H37A	0.9300
S7—C14	1.720 (11)	C38—C39	1.358 (6)
S8—C15	1.696 (12)	C38—H38A	0.9300
S9—C18	1.695 (10)	C39—C40	1.358 (6)
S10—C19	1.695 (11)	C39—H39A	0.9300
S11—C22	1.687 (11)	C40—C41	1.358 (6)
S12—C23	1.727 (11)	C40—H40A	0.9300
N1—C1	1.15 (2)	C41—N14	1.358 (6)
N2—C4	1.095 (17)	C41—H41A	0.9300
N3—C5	1.16 (2)	N14—C42	1.540 (15)
N4—C8	1.137 (18)	C42—C43	1.489 (18)
N5—C9	1.135 (17)	C42—H42A	0.9700
N6—C12	1.136 (15)	C42—H42B	0.9700
N7—C13	1.148 (16)	C43—C48	1.352 (18)
N8—C16	1.131 (14)	C43—C44	1.380 (19)
N9—C17	1.157 (14)	C44—C45	1.37 (2)
N10—C20	1.145 (14)	C44—H44	0.9300
N11—C21	1.124 (13)	C45—C46	1.34 (2)
N12—C24	1.163 (14)	C45—H45	0.9300
C1—C2	1.42 (2)	C46—F2	1.325 (16)
C2—C3	1.352 (19)	C46—C47	1.33 (2)
C3—C4	1.46 (2)	C47—C48	1.44 (2)
C5—C6	1.46 (2)	C47—H47	0.9300
C6—C7	1.367 (18)	C48—H48	0.9300
C7—C8	1.42 (2)	C49—C50	1.24 (2)
C9—C10	1.454 (19)	C49—N15	1.26 (2)
C10—C11	1.359 (16)	C49—H49	0.9300
C11—C12	1.438 (17)	C50—C51	1.41 (3)
C13—C14	1.432 (17)	C50—H50	0.9300
C14—C15	1.360 (16)	C51—C52	1.38 (2)
C15—C16	1.420 (16)	C51—H51	0.9300
C17—C18	1.424 (15)	C52—C53	1.36 (2)
C18—C19	1.417 (14)	C52—H52	0.9300
C19—C20	1.407 (15)	C53—N15	1.42 (2)
C21—C22	1.475 (16)	C53—H53	0.9300
C22—C23	1.384 (15)	N15—C54	1.40 (2)
C23—C24	1.409 (16)	C54—C55	1.57 (2)
C25—N13	1.347 (16)	C54—H54A	0.9700
C25—C26	1.354 (18)	C54—H54B	0.9700
C25—H25A	0.9300	C55—C60	1.30 (2)
C26—C27	1.340 (18)	C55—C56	1.37 (2)
C26—H26A	0.9300	C56—C57	1.35 (2)
C27—F1'	1.28 (2)	C56—H56	0.9300
C27—C28	1.392 (19)	C57—C58	1.37 (2)
C27—H27	0.9300	C57—H57	0.9300
C28—C29	1.320 (14)	C58—C59	1.33 (2)
C28—H28A	0.9300	C58—F3	1.363 (16)
C29—N13	1.392 (16)	C59—C60	1.32 (2)
C29—H29A	0.9300	C59—H59	0.9300
N13—C30	1.435 (17)	C60—H60	0.9300

Pt1···Pt2	3.6423 (10)	S4···S7	3.630 (4)
Pt1···Pt1ⁱ	3.9839 (13)	S9···S12ⁱⁱ	3.471 (4)
Pt1···S7	4.045 (3)	S10···S11ⁱⁱ	3.506 (4)
Pt2···S1	3.860 (3)	S9···S2	3.709 (4)
Pt3···Pt3ⁱⁱ	3.4965 (11)	S9···S5	3.838 (4)
S1···S2ⁱ	3.967 (4)	S10···S5	3.888 (4)
S3···S1ⁱ	3.974 (4)	S11···S2	3.811 (4)
S4···S2ⁱ	3.969 (4)	S11···S3	3.767 (4)
S2···S5	3.649 (4)	S12···S8	3.826 (4)
S3···S8	3.615 (4)

S1—Pt1—S3	179.14 (14)	C32—C31—C36	119.4 (14)
S1—Pt1—S4	88.59 (13)	C32—C31—C30	122.5 (13)
S3—Pt1—S4	90.73 (13)	C36—C31—C30	117.8 (14)
S1—Pt1—S2	90.56 (13)	C31—C32—C33	120.8 (13)
S3—Pt1—S2	90.13 (13)	C31—C32—H32A	119.6
S4—Pt1—S2	179.14 (13)	C33—C32—H32A	119.6
S8—Pt2—S5	89.49 (10)	C34—C33—C32	118.0 (14)
S8—Pt2—S6	179.36 (10)	C34—C33—H33A	121.0
S5—Pt2—S6	90.30 (11)	C32—C33—H33A	121.0
S8—Pt2—S7	89.97 (11)	C33—C34—F1	123.0 (17)
S5—Pt2—S7	179.47 (11)	C33—C34—C35	122.1 (15)
S6—Pt2—S7	90.24 (11)	F1—C34—C35	114.8 (17)
S9—Pt3—S11	89.23 (10)	C33—C34—H34A	119.0
S9—Pt3—S10	90.40 (11)	C35—C34—H34A	119.0
S11—Pt3—S10	179.55 (11)	C36—C35—C34	118.0 (15)
S9—Pt3—S12	179.22 (11)	C36—C35—H35A	121.0
S11—Pt3—S12	90.33 (10)	C34—C35—H35A	121.0
S10—Pt3—S12	90.05 (11)	C35—C36—C31	121.2 (15)
C2—S1—Pt1	100.8 (5)	C35—C36—H36A	119.4
C3—S2—Pt1	102.5 (5)	C31—C36—H36A	119.4
C6—S3—Pt1	101.6 (5)	N14—C37—C38	120.0
C7—S4—Pt1	102.4 (5)	N14—C37—H37A	120.0
C10—S5—Pt2	101.3 (4)	C38—C37—H37A	120.0
C11—S6—Pt2	102.5 (4)	C39—C38—C37	120.0
C14—S7—Pt2	102.2 (4)	C39—C38—H38A	120.0
C15—S8—Pt2	102.6 (4)	C37—C38—H38A	120.0
C18—S9—Pt3	102.6 (4)	C40—C39—C38	120.0
C19—S10—Pt3	103.1 (4)	C40—C39—H39A	120.0
C22—S11—Pt3	102.0 (4)	C38—C39—H39A	120.0
C23—S12—Pt3	102.9 (4)	C39—C40—C41	120.0
N1—C1—C2	176.1 (19)	C39—C40—H40A	120.0
C3—C2—C1	119.6 (15)	C41—C40—H40A	120.0
C3—C2—S1	125.0 (12)	N14—C41—C40	120.0
C1—C2—S1	115.2 (13)	N14—C41—H41A	120.0
C2—C3—C4	121.2 (14)	C40—C41—H41A	120.0
C2—C3—S2	121.0 (12)	C41—N14—C37	120.0
C4—C3—S2	117.8 (12)	C41—N14—C42	121.1 (11)
N2—C4—C3	178 (2)	C37—N14—C42	118.9 (11)
N3—C5—C6	176 (2)	C43—C42—N14	110.3 (10)
C7—C6—C5	117.8 (14)	C43—C42—H42A	109.6
C7—C6—S3	123.7 (12)	N14—C42—H42A	109.6
C5—C6—S3	118.5 (11)	C43—C42—H42B	109.6
C6—C7—C8	123.4 (14)	N14—C42—H42B	109.6
C6—C7—S4	121.6 (12)	H42A—C42—H42B	108.1
C8—C7—S4	114.9 (12)	C48—C43—C44	120.0 (16)
N4—C8—C7	179 (2)	C48—C43—C42	122.4 (16)
N5—C9—C10	178.9 (18)	C44—C43—C42	117.6 (15)
C11—C10—C9	118.7 (11)	C45—C44—C43	120.3 (15)
C11—C10—S5	124.8 (10)	C45—C44—H44	119.8
C9—C10—S5	116.5 (9)	C43—C44—H44	119.8
C10—C11—C12	120.2 (12)	C46—C45—C44	118.0 (16)
C10—C11—S6	121.1 (9)	C46—C45—H45	121.0
C12—C11—S6	118.7 (9)	C44—C45—H45	121.0
N6—C12—C11	177.9 (15)	F2—C46—C47	114.8 (18)
N7—C13—C14	177.8 (15)	F2—C46—C45	119.2 (19)
C15—C14—C13	123.0 (11)	C47—C46—C45	126.0 (16)
C15—C14—S7	121.8 (9)	C46—C47—C48	115.6 (15)
C13—C14—S7	115.2 (10)	C46—C47—H47	122.2
C14—C15—C16	119.9 (11)	C48—C47—H47	122.2
C14—C15—S8	123.3 (9)	C43—C48—C47	120.1 (16)
C16—C15—S8	116.6 (10)	C43—C48—H48	120.0
N8—C16—C15	177.4 (15)	C47—C48—H48	120.0
N9—C17—C18	177.2 (14)	C50—C49—N15	123 (2)
C19—C18—C17	119.2 (10)	C50—C49—H49	118.5
C19—C18—S9	122.6 (8)	N15—C49—H49	118.5
C17—C18—S9	118.2 (8)	C49—C50—C51	120 (2)
C20—C19—C18	118.7 (10)	C49—C50—H50	120.2
C20—C19—S10	120.0 (9)	C51—C50—H50	120.2
C18—C19—S10	121.3 (8)	C52—C51—C50	121 (2)
N10—C20—C19	177.2 (15)	C52—C51—H51	119.3
N11—C21—C22	176.6 (13)	C50—C51—H51	119.3
C23—C22—C21	118.6 (10)	C53—C52—C51	115 (2)
C23—C22—S11	124.8 (8)	C53—C52—H52	122.5
C21—C22—S11	116.7 (8)	C51—C52—H52	122.5
C22—C23—C24	123.6 (10)	C52—C53—N15	119.4 (18)
C22—C23—S12	120.0 (8)	C52—C53—H53	120.3
C24—C23—S12	116.4 (9)	N15—C53—H53	120.3
N12—C24—C23	175.6 (13)	C49—N15—C54	121.7 (19)
N13—C25—C26	120.8 (12)	C49—N15—C53	121.4 (17)
N13—C25—H25A	119.6	C54—N15—C53	116.9 (16)
C26—C25—H25A	119.6	N15—C54—C55	110.6 (16)
C27—C26—C25	119.4 (14)	N15—C54—H54A	109.5
C27—C26—H26A	120.3	C55—C54—H54A	109.5
C25—C26—H26A	120.3	N15—C54—H54B	109.5
F1'—C27—C26	123 (2)	C55—C54—H54B	109.5
F1'—C27—C28	115.6 (18)	H54A—C54—H54B	108.1
C26—C27—C28	121.2 (15)	C60—C55—C56	118.2 (16)
C26—C27—H27	119.4	C60—C55—C54	127.4 (16)
C28—C27—H27	119.4	C56—C55—C54	114.2 (18)
C29—C28—C27	118.3 (13)	C57—C56—C55	121.8 (17)
C29—C28—H28A	120.9	C57—C56—H56	119.1
C27—C28—H28A	120.9	C55—C56—H56	119.1
C28—C29—N13	120.9 (13)	C56—C57—C58	115.4 (15)
C28—C29—H29A	119.5	C56—C57—H57	122.3
N13—C29—H29A	119.5	C58—C57—H57	122.3
C25—N13—C29	118.9 (13)	C59—C58—F3	120.3 (18)
C25—N13—C30	121.7 (12)	C59—C58—C57	123.2 (15)
C29—N13—C30	119.3 (13)	F3—C58—C57	116.5 (18)
N13—C30—C31	118.9 (11)	C60—C59—C58	118.0 (15)
N13—C30—H30A	107.6	C60—C59—H59	121.0
C31—C30—H30A	107.6	C58—C59—H59	121.0
N13—C30—H30B	107.6	C55—C60—C59	123.4 (16)
C31—C30—H30B	107.6	C55—C60—H60	118.3
H30A—C30—H30B	107.0	C59—C60—H60	118.3

Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+2, −y+1, −z+1.

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1-(4-Fluoro­benzyl)­pyridinium bis­(maleo­nitrile­di­thiol­ato)­platinate(III)

Supporting information

Key indicators

checkCIF/PLATON results

1-(4-Fluorobenzyl)pyridinium bis(maleonitriledithiolato)platinate(III)