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Abstract

Structure Structure D 2000The Crystal Structure of Solvent-Free Silver Dodecachloro-closo-dodecaborate Ag 2 [B 12 Cl 12 ] from Aqueous Solution. -Colorless single crystals of the title compound are prepared by metathesis reaction of Cs 2 [B 12 Cl 12 ] with an aqueous solution of AgNO 3 . The compound crystallizes in the cubic space group Pa3 with Z = 4. The crystal structure is a distorted anti-CaF 2 type arrangement in which the quasi-icosahedral [B 12 Cl 12 ] 2anions are arranged in a cubic closest-packed fashion. The tetrahedral interstices are filled with Ag + cations which are strongly displaced from their ideal positions.

Structures of the strontium and barium dodecahydro-closo-dodecaborates

“…(The lack of highly neutron-absorbing 10 B in the latter sample allowed for the practical collection of both XRPD and NPD patterns.) The final anhydrous SrB12H12 and BaB12H12 polycrystalline powders were prepared by the evaporation of solvation waters above 473 K in vacuo according to previously published procedures [8].…”

“…Experimental (circles), calculated (line), and difference (line below observed and calculated patterns) NPD profiles for Ba( 11 B)12H12 at 10 K. The pattern also contains peaks from a Ba(H2O)6( 11 B)12H12 impurity[8] at ≈17.5 • and 19.5 • , and from Al foil wrap. The upper and lower sets of vertical bars indicate the calculated positions of Bragg peaks for Ba( 11 B)12H12 and Al, respectively.…”

Alkali and alkaline-earth metal dodecahydro-closo-dodecaborates: Probing structural variations via neutron vibrational spectroscopy

“…The observed neutron vibrational spectra of the other alkali metal dodecahydro-closo-dodecaborates and the spectra simulated from DFT phonon calculations of the optimized XRD structures [16][17][18] are compared in Fig. 2.…”

Halogenated closo‐Dodecaborate Anions Stabilize Weakly Bound [(Me3NH)3X]2+ (X = Cl, Br) Dications in the Solid State

“…Along these lines the H ··· I bond in [(Me 3 NH) 3 I] 2+ is calculated to be the longest (253 pm). However, the weakness of the H ··· I hydrogen bond cannot be the only reason for our failure to prepare the [(Me 3 NH) 3 I] 2+ cation, because Schleid et al were able to crystallize compounds containing [(NH 4 ) 3 I] 2+ cations . Another argument might be the N–X–N angle.…”