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. 2023 Dec 22;63(1):173–183. doi: 10.1021/acs.inorgchem.3c02928

Table 2. Selected Interatomic Distances (Å) and Angles (deg.) for Crystallographically Characterized Compoundsa.

  tptbz C6(SiPr)6 [(pdt)SnnBu2]
S–Carene 1.7695[14] 1.779[1] Sn–S 2.4401[5]
S–CiPr 1.8303[14] 1.838[1] S–C 1.775[2]
δb 0.074 0.119 Sn–C 2.142[3]
σc 0.038–0.109 0.057–0.164 θ (deg)d 28.3
  [Cl2M(tptbz)]
   
  M = Pd M = Pt [Cl2Pd(tpbzPdCl2]
M–S 2.2718[13] 2.2528[12] M–S 2.276[2]
M–Cl 2.3070[14] 2.3122[13] M–Cl 2.307[2]
MS–CiPr 1.859[6] 1.858[5] MS–CiPr 1.857[9]
MS–Carene 1.775[5] 1.788[4] MS–Carene 1.789[9]
openS–CiPr 1.779[8] 1.778[7] Pd···Pd 8.651(1)
openS–Carene 1.765[5] 1.766[5] Cl–M–Cl 90.77(11)
Cl–M–Cl 91.98(9) 90.35(8) S–M–S 89.99(10)
S–M–S 90.13(6) 90.45(6) θe 4.9(2)
θe 6.2(1) 4.9(1)    
  [(mnt)M(tptbz)]
     
  M = Pd M = Pt [(pdt)Pt(tptbz)]f [Cu(tptbz)]+n
M–Sdithiolene 2.2693[3] 2.2712[4] 2.2614[5] Cu–S 2.2980[3]
M–Sthioether 2.3246[3] 2.3025[4] 2.3095[5] S–Cthioether 1.7764[8]
Sdithiolene–C 1.7370[11] 1.738[2] 1.764[2] S–CiPr 1.851[1]
MSthioether–Carene 1.7797[10] 1.780[1] 1.781[2] Cu···Cu 8.619, 8.635
MSthioether–CiPr 1.8721[11] 1.860(2)g 1.866[3] S–Cu–Schelate 91.90[1]
openSthioether–Carene 1.7662[9] 1.757[1] 1.762[2] θ (deg)h 88.96
openSthioether–CiPr 1.8178[10] 1.825[2] 1.824[2]    
θi 6.69(2) 5.46(4) 2.83[5]    
a

Uncertainties are propagated according to Taylor, J. R. An Introduction to Error Analysis; 2nd ed.; University Science Books: Sausalito, CA, 1997, pp 73–77. The square bracket represents the uncertainties propagated in the averaging of chemically identical values.

b

δ = mean displacement of S atoms from the C6 arene plane.

c

σ = range of S atom displacements from the C6 arene plane.

d

θ = fold angle between S2Sn and S2C2 planes.

e

θ = angle between Cl2M and S2M planes.

f

All values are averages for three independent molecules in the asymmetric unit of the cell.

g

Because of static disorder afflicting one of the SiPr groups, this table entry is a single, unaveraged bond length.

h

θ = angle between S2Cu chelate planes.

i

θ = angle between S2,dithioleneM and S2,dithioetherM planes.