Synthesis and structure of an aryl­tellurenium(II) cation; [4-tert-butyl-2,6-bis­(1-pentyl-1H-benz­imidazol-2-yl-κN3)phenyl-κC1]tellurium(II) (1,4-dioxane)tri­iodido­mercurate(II)

Rani, V.; Singh, H.B.; Butcher, R.J.

doi:10.1107/S2056989018002645

Synthesis and structure of an aryltellurenium(II) cation; [4-tert-butyl-2,6-bis(1-pentyl-1H-benzimidazol-2-yl-κN³)phenyl-κC¹]tellurium(II) (1,4-dioxane)triiodidomercurate(II)

In the structure of an aryltellurenium(II) salt containing a [4-tert-butyl-2,6-bis(1-pentyl-1H-benzimidazol-2-yl)phenyl]tellurium(II) cation and a [HgI₃(dioxane)]⁻ anion, the cation and anion are linked by a C—H

I interaction.

Keywords: crystal structure; aryltellurenium(II) cation; (1,4-dioxane)triiodomercury(II) anion.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2056989018002645/zs2398sup1.cif Contains datablock I
	Structure factor file (CIF format) https://doi.org/10.1107/S2056989018002645/zs2398Isup2.hkl Contains datablock I

CCDC reference: 1823822

checkCIF report

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.006 Å
R factor = 0.041
wR factor = 0.080
Data-to-parameter ratio = 28.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT220_ALERT_2_C Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        3.2 Ratio
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A      ..I1               3.16 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8B      ..I2               3.08 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9B      ..I1               3.18 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H30B     ..I1               3.28 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H31B     ..I3               3.20 Ang.
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      4.421 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600         20 Report

Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       9.92 Why ?
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Hg       --I2        .        7.1 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Hg       --I3        .        6.8 s.u.
PLAT398_ALERT_2_G Deviating  C-O-C    Angle From 120 for O2P            108.7 Degree
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          8 Note
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          ! Info
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          3 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600       1154 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          2 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...         22 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   8 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  10 ALERT level G = General information/check it is not something unexpected

   0 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
   4 ALERT type 3 Indicator that the structure quality may be low
   8 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: CrysAlis PRO (Rigaku OD, 2015); cell refinement: CrysAlis PRO (Rigaku OD, 2015); data reduction: CrysAlis PRO (Rigaku OD, 2015); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2017 (Sheldrick, 2015b); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

[4-tert-Butyl-2,6-bis(1-pentyl-1H-benzimidazol-2-yl-κN³)phenyl-κC¹]tellurium(II) (1,4-dioxane)triiodidomercurate(II) top

Crystal data top

(C₃₄H₄₁N₄Te)[HgI₃(C₄H₈O₂)]	F(000) = 2448
M_r = 1302.70	D_x = 2.035 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 9.6074 (2) Å	Cell parameters from 22849 reflections
b = 25.4943 (6) Å	θ = 2.0–31.3°
c = 17.4326 (3) Å	µ = 6.51 mm⁻¹
β = 95.152 (2)°	T = 100 K
V = 4252.59 (15) Å³	Prism, colorless
Z = 4	0.27 × 0.21 × 0.13 mm

Data collection top

Rigaku CCD dual source diffractometer	11288 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	R_int = 0.041
ω scans	θ_max = 31.2°, θ_min = 2.1°
Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2015)	h = −13→13
T_min = 0.238, T_max = 0.567	k = −34→36
58708 measured reflections	l = −25→25
12625 independent reflections

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.041	H-atom parameters constrained
wR(F²) = 0.080	w = 1/[σ²(F_o²) + (0.0267P)² + 9.9235P] where P = (F_o² + 2F_c²)/3
S = 1.14	(Δ/σ)_max = 0.004
12625 reflections	Δρ_max = 1.45 e Å⁻³
448 parameters	Δρ_min = −1.53 e Å⁻³

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Hg	0.75646 (2)	0.67318 (2)	0.82692 (2)	0.03297 (5)
I1	0.73560 (3)	0.57972 (2)	0.75006 (2)	0.03369 (7)
I2	0.55214 (3)	0.74060 (2)	0.77764 (2)	0.04473 (8)
I3	0.99100 (3)	0.69905 (2)	0.91390 (2)	0.04466 (8)
O1P	0.6255 (4)	0.63149 (14)	0.94549 (18)	0.0431 (8)
O2P	0.6836 (5)	0.6252 (2)	1.1071 (2)	0.0653 (12)
C1P	0.6860 (6)	0.5855 (2)	0.9821 (3)	0.0491 (13)
H1PA	0.747374	0.568080	0.947248	0.059*
H1PB	0.610890	0.560639	0.992658	0.059*
C2P	0.7689 (6)	0.5994 (3)	1.0559 (3)	0.0519 (13)
H2PA	0.808972	0.567185	1.080570	0.062*
H2PB	0.847183	0.622757	1.044987	0.062*
C3P	0.6282 (8)	0.6717 (3)	1.0710 (4)	0.0686 (19)
H3PA	0.705702	0.695483	1.060347	0.082*
H3PB	0.568885	0.690112	1.106058	0.082*
C4P	0.5428 (6)	0.6587 (3)	0.9969 (3)	0.0525 (14)
H4PA	0.462352	0.636580	1.007958	0.063*
H4PB	0.506000	0.691438	0.972173	0.063*
Te1	0.74063 (2)	0.51396 (2)	0.54923 (2)	0.02140 (5)
N1	0.5897 (3)	0.56893 (13)	0.48474 (18)	0.0236 (6)
N2	0.8934 (3)	0.44789 (13)	0.55087 (18)	0.0237 (6)
N3	0.4931 (3)	0.59799 (13)	0.37156 (18)	0.0244 (6)
N4	1.0026 (3)	0.38656 (13)	0.48812 (18)	0.0241 (6)
C1	0.5772 (4)	0.56054 (15)	0.4084 (2)	0.0228 (7)
C2	0.5088 (4)	0.61244 (15)	0.4987 (2)	0.0247 (7)
C3	0.4854 (4)	0.63775 (18)	0.5677 (3)	0.0324 (9)
H3A	0.526433	0.625558	0.616065	0.039*
C4	0.3999 (5)	0.68122 (18)	0.5620 (3)	0.0364 (10)
H4A	0.383711	0.699948	0.607423	0.044*
C5	0.3358 (5)	0.69872 (19)	0.4909 (3)	0.0387 (10)
H5A	0.275877	0.728408	0.489732	0.046*
C6	0.3578 (5)	0.67387 (17)	0.4230 (3)	0.0334 (9)
H6A	0.314010	0.685579	0.374971	0.040*
C7	0.4471 (4)	0.63077 (15)	0.4278 (2)	0.0259 (8)
C8	0.4633 (4)	0.60656 (16)	0.2885 (2)	0.0267 (8)
H8A	0.543550	0.593917	0.261713	0.032*
H8B	0.453223	0.644667	0.278569	0.032*
C9	0.3321 (4)	0.57888 (17)	0.2554 (2)	0.0288 (8)
H9A	0.250131	0.594283	0.277669	0.035*
H9B	0.337518	0.541345	0.269913	0.035*
C10	0.3127 (4)	0.58365 (19)	0.1674 (2)	0.0322 (9)
H10A	0.318795	0.621078	0.152928	0.039*
H10B	0.389474	0.564727	0.145069	0.039*
C11	0.1732 (5)	0.5616 (2)	0.1334 (3)	0.0397 (11)
H11A	0.096416	0.582704	0.151795	0.048*
H11B	0.163106	0.525180	0.151965	0.048*
C12	0.1598 (6)	0.5616 (2)	0.0453 (3)	0.0506 (13)
H12A	0.070863	0.545423	0.026178	0.076*
H12B	0.237218	0.541619	0.026742	0.076*
H12C	0.162796	0.597783	0.026544	0.076*
C13	0.6514 (4)	0.51672 (15)	0.3791 (2)	0.0225 (7)
C14	0.6451 (4)	0.49851 (16)	0.3031 (2)	0.0250 (7)
H14A	0.583208	0.515082	0.264960	0.030*
C15	0.7270 (4)	0.45675 (16)	0.2818 (2)	0.0237 (7)
C16	0.8152 (4)	0.43160 (15)	0.3391 (2)	0.0246 (7)
H16A	0.871573	0.403114	0.325237	0.029*
C17	0.8217 (4)	0.44771 (15)	0.4163 (2)	0.0221 (7)
C18	0.7395 (4)	0.49037 (14)	0.4355 (2)	0.0215 (7)
C19	0.7261 (4)	0.43807 (17)	0.1985 (2)	0.0275 (8)
C20	0.6176 (5)	0.46742 (19)	0.1444 (2)	0.0337 (9)
H20A	0.636546	0.505170	0.147362	0.050*
H20B	0.523754	0.460497	0.159841	0.050*
H20C	0.623314	0.455319	0.091394	0.050*
C21	0.6910 (6)	0.37930 (19)	0.1935 (3)	0.0427 (11)
H21A	0.604471	0.372690	0.217678	0.064*
H21B	0.767486	0.359149	0.220351	0.064*
H21C	0.678832	0.368573	0.139351	0.064*
C22	0.8719 (5)	0.4479 (2)	0.1713 (3)	0.0402 (11)
H22A	0.894545	0.485269	0.175965	0.060*
H22B	0.872508	0.437028	0.117394	0.060*
H22C	0.941604	0.427499	0.203245	0.060*
C23	0.9077 (4)	0.42570 (14)	0.4821 (2)	0.0223 (7)
C24	0.9865 (4)	0.42250 (15)	0.6039 (2)	0.0232 (7)
C25	1.0173 (4)	0.43169 (16)	0.6829 (2)	0.0263 (8)
H25A	0.972775	0.458794	0.709028	0.032*
C26	1.1166 (4)	0.39891 (17)	0.7210 (2)	0.0302 (8)
H26A	1.141048	0.403739	0.774576	0.036*
C27	1.1814 (4)	0.35895 (17)	0.6821 (2)	0.0304 (8)
H27A	1.247151	0.336915	0.710397	0.036*
C28	1.1528 (4)	0.35036 (16)	0.6033 (2)	0.0281 (8)
H28A	1.198365	0.323620	0.577025	0.034*
C29	1.0539 (4)	0.38315 (15)	0.5655 (2)	0.0236 (7)
C30	1.0625 (4)	0.35688 (16)	0.4263 (2)	0.0277 (8)
H30A	1.160849	0.348098	0.443315	0.033*
H30B	1.062647	0.379541	0.380238	0.033*
C31	0.9845 (5)	0.30670 (16)	0.4042 (2)	0.0308 (9)
H31A	0.886719	0.315002	0.385220	0.037*
H31B	0.982848	0.283726	0.449883	0.037*
C32	1.0563 (6)	0.2783 (2)	0.3413 (3)	0.0481 (13)
H32A	1.157460	0.275633	0.357500	0.058*
H32B	1.045373	0.299530	0.293597	0.058*
C33	0.9982 (7)	0.2230 (3)	0.3236 (4)	0.0668 (18)
H33A	1.057355	0.205345	0.287666	0.080*
H33B	1.003942	0.202324	0.371852	0.080*
C34	0.8516 (8)	0.2232 (3)	0.2892 (4)	0.0698 (18)
H34A	0.826398	0.188126	0.269610	0.105*
H34B	0.841711	0.248498	0.246670	0.105*
H34C	0.789684	0.233200	0.328424	0.105*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Hg	0.03525 (9)	0.03204 (9)	0.03157 (8)	−0.00056 (7)	0.00279 (6)	−0.00291 (6)
I1	0.03544 (14)	0.03364 (14)	0.03205 (14)	0.00098 (11)	0.00334 (11)	−0.00527 (11)
I2	0.04247 (17)	0.02744 (14)	0.0635 (2)	0.00214 (12)	0.00065 (15)	0.00296 (14)
I3	0.04082 (16)	0.04536 (18)	0.04619 (18)	−0.00267 (14)	−0.00499 (13)	−0.01225 (14)
O1P	0.0482 (19)	0.053 (2)	0.0277 (16)	0.0038 (16)	0.0029 (14)	0.0056 (14)
O2P	0.071 (3)	0.094 (3)	0.0289 (18)	0.004 (2)	−0.0056 (18)	0.002 (2)
C1P	0.061 (3)	0.049 (3)	0.036 (3)	−0.003 (3)	−0.003 (2)	0.009 (2)
C2P	0.048 (3)	0.068 (4)	0.038 (3)	−0.003 (3)	−0.003 (2)	0.013 (3)
C3P	0.079 (5)	0.083 (5)	0.042 (3)	0.013 (4)	0.001 (3)	−0.018 (3)
C4P	0.048 (3)	0.072 (4)	0.039 (3)	0.012 (3)	0.007 (2)	0.000 (3)
Te1	0.02258 (11)	0.02243 (11)	0.01920 (10)	−0.00065 (9)	0.00201 (8)	−0.00145 (9)
N1	0.0245 (15)	0.0244 (16)	0.0216 (15)	0.0020 (13)	−0.0003 (12)	−0.0026 (12)
N2	0.0256 (15)	0.0259 (16)	0.0197 (14)	0.0010 (13)	0.0020 (12)	−0.0012 (12)
N3	0.0244 (15)	0.0264 (16)	0.0221 (15)	0.0016 (13)	0.0010 (12)	0.0024 (12)
N4	0.0247 (15)	0.0232 (15)	0.0243 (15)	0.0022 (12)	0.0012 (12)	−0.0006 (12)
C1	0.0221 (17)	0.0243 (18)	0.0223 (17)	−0.0017 (14)	0.0034 (13)	−0.0005 (14)
C2	0.0232 (17)	0.0243 (18)	0.0264 (18)	0.0011 (14)	0.0017 (14)	−0.0004 (14)
C3	0.032 (2)	0.036 (2)	0.030 (2)	0.0043 (18)	0.0048 (16)	−0.0031 (17)
C4	0.037 (2)	0.035 (2)	0.039 (2)	0.0091 (19)	0.0088 (19)	−0.0087 (19)
C5	0.039 (2)	0.036 (2)	0.041 (2)	0.013 (2)	0.006 (2)	−0.002 (2)
C6	0.032 (2)	0.033 (2)	0.036 (2)	0.0047 (18)	0.0031 (17)	0.0045 (18)
C7	0.0255 (18)	0.0245 (18)	0.0281 (19)	0.0016 (15)	0.0039 (15)	−0.0010 (15)
C8	0.0297 (19)	0.0264 (19)	0.0241 (18)	0.0024 (16)	0.0034 (15)	0.0070 (15)
C9	0.0267 (19)	0.035 (2)	0.0250 (18)	0.0000 (16)	0.0023 (15)	0.0045 (16)
C10	0.032 (2)	0.042 (2)	0.0234 (18)	0.0032 (18)	0.0037 (16)	0.0030 (17)
C11	0.035 (2)	0.056 (3)	0.027 (2)	−0.003 (2)	−0.0016 (17)	0.002 (2)
C12	0.053 (3)	0.068 (4)	0.029 (2)	0.000 (3)	−0.003 (2)	0.001 (2)
C13	0.0205 (16)	0.0227 (17)	0.0248 (17)	−0.0014 (14)	0.0050 (13)	−0.0006 (14)
C14	0.0226 (17)	0.0292 (19)	0.0230 (17)	−0.0020 (15)	0.0011 (14)	0.0015 (14)
C15	0.0241 (17)	0.0299 (19)	0.0169 (16)	−0.0014 (15)	0.0008 (13)	0.0011 (14)
C16	0.0271 (18)	0.0232 (18)	0.0234 (17)	0.0022 (15)	0.0026 (14)	−0.0033 (14)
C17	0.0229 (17)	0.0223 (17)	0.0209 (17)	−0.0019 (14)	0.0010 (13)	0.0011 (13)
C18	0.0236 (17)	0.0207 (17)	0.0204 (16)	−0.0022 (14)	0.0028 (13)	0.0001 (13)
C19	0.0274 (19)	0.033 (2)	0.0216 (17)	0.0010 (16)	0.0011 (14)	−0.0054 (15)
C20	0.032 (2)	0.048 (3)	0.0198 (18)	0.0035 (19)	0.0007 (16)	−0.0041 (17)
C21	0.054 (3)	0.040 (3)	0.033 (2)	0.002 (2)	−0.002 (2)	−0.015 (2)
C22	0.029 (2)	0.065 (3)	0.027 (2)	0.001 (2)	0.0046 (17)	−0.005 (2)
C23	0.0254 (17)	0.0214 (17)	0.0200 (16)	−0.0004 (14)	0.0016 (13)	0.0020 (13)
C24	0.0229 (17)	0.0234 (18)	0.0229 (17)	−0.0023 (14)	0.0000 (13)	0.0031 (14)
C25	0.0239 (18)	0.031 (2)	0.0238 (18)	−0.0040 (15)	0.0023 (14)	0.0003 (15)
C26	0.032 (2)	0.036 (2)	0.0222 (18)	−0.0047 (17)	−0.0014 (15)	0.0053 (16)
C27	0.0265 (19)	0.033 (2)	0.032 (2)	0.0013 (16)	0.0002 (16)	0.0073 (17)
C28	0.0282 (19)	0.0241 (19)	0.032 (2)	0.0035 (16)	0.0010 (16)	0.0039 (16)
C29	0.0225 (17)	0.0242 (18)	0.0241 (17)	−0.0018 (14)	0.0029 (14)	0.0044 (14)
C30	0.0308 (19)	0.0263 (19)	0.0266 (18)	0.0050 (16)	0.0062 (15)	−0.0016 (15)
C31	0.038 (2)	0.0251 (19)	0.030 (2)	−0.0003 (17)	0.0081 (17)	−0.0023 (16)
C32	0.051 (3)	0.043 (3)	0.053 (3)	−0.007 (2)	0.019 (2)	−0.024 (2)
C33	0.069 (4)	0.056 (4)	0.076 (4)	0.008 (3)	0.005 (3)	−0.036 (3)
C34	0.080 (5)	0.056 (4)	0.070 (4)	−0.014 (3)	−0.006 (4)	−0.013 (3)

Geometric parameters (Å, º) top

Hg—I3	2.6828 (4)	C11—H11A	0.9900
Hg—I2	2.6912 (4)	C11—H11B	0.9900
Hg—O1P	2.730 (3)	C12—H12A	0.9800
Hg—I1	2.7321 (3)	C12—H12B	0.9800
O1P—C4P	1.429 (6)	C12—H12C	0.9800
O1P—C1P	1.433 (6)	C13—C14	1.400 (5)
O2P—C3P	1.424 (8)	C13—C18	1.409 (5)
O2P—C2P	1.425 (7)	C14—C15	1.394 (6)
C1P—C2P	1.494 (7)	C14—H14A	0.9500
C1P—H1PA	0.9900	C15—C16	1.405 (5)
C1P—H1PB	0.9900	C15—C19	1.527 (5)
C2P—H2PA	0.9900	C16—C17	1.404 (5)
C2P—H2PB	0.9900	C16—H16A	0.9500
C3P—C4P	1.504 (8)	C17—C18	1.402 (5)
C3P—H3PA	0.9900	C17—C23	1.464 (5)
C3P—H3PB	0.9900	C19—C20	1.536 (6)
C4P—H4PA	0.9900	C19—C21	1.536 (6)
C4P—H4PB	0.9900	C19—C22	1.540 (6)
Te1—C18	2.071 (4)	C20—H20A	0.9800
Te1—N2	2.232 (3)	C20—H20B	0.9800
Te1—N1	2.244 (3)	C20—H20C	0.9800
N1—C1	1.343 (5)	C21—H21A	0.9800
N1—C2	1.389 (5)	C21—H21B	0.9800
N2—C23	1.344 (5)	C21—H21C	0.9800
N2—C24	1.387 (5)	C22—H22A	0.9800
N3—C1	1.372 (5)	C22—H22B	0.9800
N3—C7	1.391 (5)	C22—H22C	0.9800
N3—C8	1.467 (5)	C24—C29	1.396 (5)
N4—C23	1.349 (5)	C24—C25	1.403 (5)
N4—C29	1.397 (5)	C25—C26	1.391 (6)
N4—C30	1.475 (5)	C25—H25A	0.9500
C1—C13	1.443 (5)	C26—C27	1.400 (6)
C2—C3	1.401 (6)	C26—H26A	0.9500
C2—C7	1.402 (5)	C27—C28	1.394 (6)
C3—C4	1.378 (6)	C27—H27A	0.9500
C3—H3A	0.9500	C28—C29	1.386 (5)
C4—C5	1.406 (7)	C28—H28A	0.9500
C4—H4A	0.9500	C30—C31	1.515 (6)
C5—C6	1.376 (6)	C30—H30A	0.9900
C5—H5A	0.9500	C30—H30B	0.9900
C6—C7	1.392 (6)	C31—C32	1.529 (6)
C6—H6A	0.9500	C31—H31A	0.9900
C8—C9	1.513 (6)	C31—H31B	0.9900
C8—H8A	0.9900	C32—C33	1.538 (8)
C8—H8B	0.9900	C32—H32A	0.9900
C9—C10	1.534 (5)	C32—H32B	0.9900
C9—H9A	0.9900	C33—C34	1.481 (9)
C9—H9B	0.9900	C33—H33A	0.9900
C10—C11	1.524 (6)	C33—H33B	0.9900
C10—H10A	0.9900	C34—H34A	0.9800
C10—H10B	0.9900	C34—H34B	0.9800
C11—C12	1.529 (6)	C34—H34C	0.9800

I3—Hg—I2	125.097 (12)	C11—C12—H12C	109.5
I3—Hg—O1P	95.08 (7)	H12A—C12—H12C	109.5
I2—Hg—O1P	96.76 (7)	H12B—C12—H12C	109.5
I3—Hg—I1	120.825 (12)	C14—C13—C18	118.3 (3)
I2—Hg—I1	112.406 (11)	C14—C13—C1	127.6 (4)
O1P—Hg—I1	90.76 (8)	C18—C13—C1	114.0 (3)
C4P—O1P—C1P	110.1 (4)	C15—C14—C13	121.8 (4)
C4P—O1P—Hg	127.3 (3)	C15—C14—H14A	119.1
C1P—O1P—Hg	117.4 (3)	C13—C14—H14A	119.1
C3P—O2P—C2P	108.7 (4)	C14—C15—C16	118.6 (3)
O1P—C1P—C2P	110.7 (5)	C14—C15—C19	122.4 (3)
O1P—C1P—H1PA	109.5	C16—C15—C19	119.0 (3)
C2P—C1P—H1PA	109.5	C17—C16—C15	121.3 (4)
O1P—C1P—H1PB	109.5	C17—C16—H16A	119.3
C2P—C1P—H1PB	109.5	C15—C16—H16A	119.3
H1PA—C1P—H1PB	108.1	C18—C17—C16	118.6 (3)
O2P—C2P—C1P	110.9 (5)	C18—C17—C23	113.6 (3)
O2P—C2P—H2PA	109.5	C16—C17—C23	127.8 (3)
C1P—C2P—H2PA	109.5	C17—C18—C13	121.3 (3)
O2P—C2P—H2PB	109.5	C17—C18—Te1	119.9 (3)
C1P—C2P—H2PB	109.5	C13—C18—Te1	118.7 (3)
H2PA—C2P—H2PB	108.1	C15—C19—C20	112.2 (3)
O2P—C3P—C4P	110.4 (5)	C15—C19—C21	109.9 (3)
O2P—C3P—H3PA	109.6	C20—C19—C21	107.9 (4)
C4P—C3P—H3PA	109.6	C15—C19—C22	108.3 (3)
O2P—C3P—H3PB	109.6	C20—C19—C22	108.5 (4)
C4P—C3P—H3PB	109.6	C21—C19—C22	110.0 (4)
H3PA—C3P—H3PB	108.1	C19—C20—H20A	109.5
O1P—C4P—C3P	110.8 (5)	C19—C20—H20B	109.5
O1P—C4P—H4PA	109.5	H20A—C20—H20B	109.5
C3P—C4P—H4PA	109.5	C19—C20—H20C	109.5
O1P—C4P—H4PB	109.5	H20A—C20—H20C	109.5
C3P—C4P—H4PB	109.5	H20B—C20—H20C	109.5
H4PA—C4P—H4PB	108.1	C19—C21—H21A	109.5
C18—Te1—N2	74.93 (13)	C19—C21—H21B	109.5
C18—Te1—N1	75.77 (13)	H21A—C21—H21B	109.5
N2—Te1—N1	150.68 (11)	C19—C21—H21C	109.5
C1—N1—C2	107.4 (3)	H21A—C21—H21C	109.5
C1—N1—Te1	113.2 (2)	H21B—C21—H21C	109.5
C2—N1—Te1	139.2 (3)	C19—C22—H22A	109.5
C23—N2—C24	106.6 (3)	C19—C22—H22B	109.5
C23—N2—Te1	115.2 (2)	H22A—C22—H22B	109.5
C24—N2—Te1	138.1 (3)	C19—C22—H22C	109.5
C1—N3—C7	107.4 (3)	H22A—C22—H22C	109.5
C1—N3—C8	128.3 (3)	H22B—C22—H22C	109.5
C7—N3—C8	124.1 (3)	N2—C23—N4	111.4 (3)
C23—N4—C29	107.4 (3)	N2—C23—C17	116.2 (3)
C23—N4—C30	128.9 (3)	N4—C23—C17	132.4 (3)
C29—N4—C30	123.1 (3)	N2—C24—C29	108.4 (3)
N1—C1—N3	110.5 (3)	N2—C24—C25	130.0 (4)
N1—C1—C13	118.1 (3)	C29—C24—C25	121.6 (4)
N3—C1—C13	131.5 (3)	C26—C25—C24	116.3 (4)
N1—C2—C3	130.9 (4)	C26—C25—H25A	121.8
N1—C2—C7	108.1 (3)	C24—C25—H25A	121.8
C3—C2—C7	121.0 (4)	C25—C26—C27	121.4 (4)
C4—C3—C2	116.6 (4)	C25—C26—H26A	119.3
C4—C3—H3A	121.7	C27—C26—H26A	119.3
C2—C3—H3A	121.7	C28—C27—C26	122.4 (4)
C3—C4—C5	122.1 (4)	C28—C27—H27A	118.8
C3—C4—H4A	119.0	C26—C27—H27A	118.8
C5—C4—H4A	119.0	C29—C28—C27	116.1 (4)
C6—C5—C4	121.6 (4)	C29—C28—H28A	122.0
C6—C5—H5A	119.2	C27—C28—H28A	122.0
C4—C5—H5A	119.2	C28—C29—C24	122.2 (4)
C5—C6—C7	116.9 (4)	C28—C29—N4	131.6 (4)
C5—C6—H6A	121.6	C24—C29—N4	106.2 (3)
C7—C6—H6A	121.6	N4—C30—C31	113.8 (3)
N3—C7—C6	131.6 (4)	N4—C30—H30A	108.8
N3—C7—C2	106.6 (3)	C31—C30—H30A	108.8
C6—C7—C2	121.8 (4)	N4—C30—H30B	108.8
N3—C8—C9	112.9 (3)	C31—C30—H30B	108.8
N3—C8—H8A	109.0	H30A—C30—H30B	107.7
C9—C8—H8A	109.0	C30—C31—C32	109.7 (4)
N3—C8—H8B	109.0	C30—C31—H31A	109.7
C9—C8—H8B	109.0	C32—C31—H31A	109.7
H8A—C8—H8B	107.8	C30—C31—H31B	109.7
C8—C9—C10	111.5 (3)	C32—C31—H31B	109.7
C8—C9—H9A	109.3	H31A—C31—H31B	108.2
C10—C9—H9A	109.3	C31—C32—C33	113.6 (5)
C8—C9—H9B	109.3	C31—C32—H32A	108.9
C10—C9—H9B	109.3	C33—C32—H32A	108.9
H9A—C9—H9B	108.0	C31—C32—H32B	108.9
C11—C10—C9	112.6 (4)	C33—C32—H32B	108.9
C11—C10—H10A	109.1	H32A—C32—H32B	107.7
C9—C10—H10A	109.1	C34—C33—C32	113.1 (6)
C11—C10—H10B	109.1	C34—C33—H33A	109.0
C9—C10—H10B	109.1	C32—C33—H33A	109.0
H10A—C10—H10B	107.8	C34—C33—H33B	109.0
C10—C11—C12	112.5 (4)	C32—C33—H33B	109.0
C10—C11—H11A	109.1	H33A—C33—H33B	107.8
C12—C11—H11A	109.1	C33—C34—H34A	109.5
C10—C11—H11B	109.1	C33—C34—H34B	109.5
C12—C11—H11B	109.1	H34A—C34—H34B	109.5
H11A—C11—H11B	107.8	C33—C34—H34C	109.5
C11—C12—H12A	109.5	H34A—C34—H34C	109.5
C11—C12—H12B	109.5	H34B—C34—H34C	109.5
H12A—C12—H12B	109.5

C4P—O1P—C1P—C2P	−55.9 (6)	C15—C16—C17—C23	−179.9 (4)
Hg—O1P—C1P—C2P	100.4 (4)	C16—C17—C18—C13	0.3 (5)
C3P—O2P—C2P—C1P	−59.8 (6)	C23—C17—C18—C13	179.3 (3)
O1P—C1P—C2P—O2P	58.5 (6)	C16—C17—C18—Te1	178.0 (3)
C2P—O2P—C3P—C4P	59.4 (7)	C23—C17—C18—Te1	−3.0 (4)
C1P—O1P—C4P—C3P	55.9 (7)	C14—C13—C18—C17	1.5 (5)
Hg—O1P—C4P—C3P	−97.5 (5)	C1—C13—C18—C17	−178.4 (3)
O2P—C3P—C4P—O1P	−58.5 (7)	C14—C13—C18—Te1	−176.3 (3)
C2—N1—C1—N3	1.5 (4)	C1—C13—C18—Te1	3.9 (4)
Te1—N1—C1—N3	−174.9 (2)	C14—C15—C19—C20	−4.6 (5)
C2—N1—C1—C13	−179.5 (3)	C16—C15—C19—C20	176.5 (4)
Te1—N1—C1—C13	4.2 (4)	C14—C15—C19—C21	−124.6 (4)
C7—N3—C1—N1	−1.8 (4)	C16—C15—C19—C21	56.4 (5)
C8—N3—C1—N1	173.3 (4)	C14—C15—C19—C22	115.2 (4)
C7—N3—C1—C13	179.3 (4)	C16—C15—C19—C22	−63.8 (5)
C8—N3—C1—C13	−5.6 (7)	C24—N2—C23—N4	1.5 (4)
C1—N1—C2—C3	−179.8 (4)	Te1—N2—C23—N4	179.4 (2)
Te1—N1—C2—C3	−5.0 (7)	C24—N2—C23—C17	−178.1 (3)
C1—N1—C2—C7	−0.6 (4)	Te1—N2—C23—C17	−0.1 (4)
Te1—N1—C2—C7	174.2 (3)	C29—N4—C23—N2	−0.3 (4)
N1—C2—C3—C4	178.9 (4)	C30—N4—C23—N2	−171.4 (4)
C7—C2—C3—C4	−0.2 (6)	C29—N4—C23—C17	179.2 (4)
C2—C3—C4—C5	1.7 (7)	C30—N4—C23—C17	8.1 (7)
C3—C4—C5—C6	−1.4 (8)	C18—C17—C23—N2	1.9 (5)
C4—C5—C6—C7	−0.4 (7)	C16—C17—C23—N2	−179.1 (4)
C1—N3—C7—C6	−178.2 (4)	C18—C17—C23—N4	−177.6 (4)
C8—N3—C7—C6	6.5 (7)	C16—C17—C23—N4	1.4 (7)
C1—N3—C7—C2	1.3 (4)	C23—N2—C24—C29	−2.1 (4)
C8—N3—C7—C2	−174.0 (3)	Te1—N2—C24—C29	−179.3 (3)
C5—C6—C7—N3	−178.7 (4)	C23—N2—C24—C25	177.3 (4)
C5—C6—C7—C2	1.9 (6)	Te1—N2—C24—C25	0.1 (7)
N1—C2—C7—N3	−0.5 (4)	N2—C24—C25—C26	179.7 (4)
C3—C2—C7—N3	178.9 (4)	C29—C24—C25—C26	−1.0 (6)
N1—C2—C7—C6	179.1 (4)	C24—C25—C26—C27	−0.2 (6)
C3—C2—C7—C6	−1.6 (6)	C25—C26—C27—C28	1.4 (6)
C1—N3—C8—C9	93.8 (5)	C26—C27—C28—C29	−1.2 (6)
C7—N3—C8—C9	−91.8 (5)	C27—C28—C29—C24	0.0 (6)
N3—C8—C9—C10	−173.8 (3)	C27—C28—C29—N4	178.4 (4)
C8—C9—C10—C11	−173.5 (4)	N2—C24—C29—C28	−179.4 (4)
C9—C10—C11—C12	−174.6 (4)	C25—C24—C29—C28	1.2 (6)
N1—C1—C13—C14	174.8 (4)	N2—C24—C29—N4	1.9 (4)
N3—C1—C13—C14	−6.4 (7)	C25—C24—C29—N4	−177.6 (3)
N1—C1—C13—C18	−5.3 (5)	C23—N4—C29—C28	−179.6 (4)
N3—C1—C13—C18	173.5 (4)	C30—N4—C29—C28	−7.9 (6)
C18—C13—C14—C15	−2.5 (6)	C23—N4—C29—C24	−1.0 (4)
C1—C13—C14—C15	177.3 (4)	C30—N4—C29—C24	170.7 (3)
C13—C14—C15—C16	1.8 (6)	C23—N4—C30—C31	−92.9 (5)
C13—C14—C15—C19	−177.2 (4)	C29—N4—C30—C31	97.3 (4)
C14—C15—C16—C17	0.0 (6)	N4—C30—C31—C32	−178.7 (4)
C19—C15—C16—C17	179.0 (4)	C30—C31—C32—C33	171.3 (5)
C15—C16—C17—C18	−1.0 (6)	C31—C32—C33—C34	66.0 (8)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C3—H3A···I1	0.95	3.16	4.086 (4)	164
C8—H8B···I2ⁱ	0.99	3.08	3.997 (4)	155
C9—H9B···I1ⁱⁱ	0.99	3.18	4.095 (4)	155
C30—H30B···I1ⁱⁱⁱ	0.99	3.28	4.111 (4)	142
C31—H31B···I3^iv	0.99	3.20	4.185 (4)	172

Symmetry codes: (i) x, −y+3/2, z−1/2; (ii) −x+1, −y+1, −z+1; (iii) −x+2, −y+1, −z+1; (iv) −x+2, y−1/2, −z+3/2.

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Synthesis and structure of an aryl­tellurenium(II) cation; [4-tert-butyl-2,6-bis­(1-pentyl-1H-benz­imidazol-2-yl-κN3)phenyl-κC1]tellurium(II) (1,4-dioxane)tri­iodido­mercurate(II)

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Synthesis and structure of an aryltellurenium(II) cation; [4-tert-butyl-2,6-bis(1-pentyl-1H-benzimidazol-2-yl-κN³)phenyl-κC¹]tellurium(II) (1,4-dioxane)triiodidomercurate(II)