Skip to main content

View full-text article in PMC

. Author manuscript; available in PMC: 2013 Jan 2.

Published in final edited form as: Inorg Chem. 2011 Dec 16;51(1):629–639. doi: 10.1021/ic202150b

Table 2.

Crystallographic data for 8a and 8b.

Compounds	8a	8b
Formula	C₈ H₂₅ B₁₀ I Si	C₈ H₂₅ B₁₀ I Si
Formula weight	384.37	384.37
Space group	Cc (No. 9)	Pca2₁ (No. 29)
a, Å	6.8264(1)	13.6530(1)
b, Å	20.6488(3)	19.5285(1)
c, Å	12.5390(2)	27.7225(2)
β °	90.346(1)	-
Volume, Å³	1767.43(5)	7391.45(8)
Z	4	16
Density (calculated), g/cm³	1.444	1.382
μ, cm⁻¹	18.59	17.78
Crystal size, mm³	0.04 × 0.12 × 0.38	0.19 × 0.19 × 0.27
Final R indices [I>2sigma(I)]	R1=0.0238, wR2=0.0421	R1=0.0303, wR2=0.0460
R indices (all data)	R1=0.0316, wR2=0.0440	R1=0.0538, wR2=0.0489

$R 1 = Σ ‖ F o ∣ - ∣ F c ‖ ∕ Σ ∣ F o ∣$

$w R 2 = {[Σ [w {(F o^{2} - F c^{2})}^{2}] ∕ Σ [w {(F o^{2})}^{2}]]}^{1 ∕ 2}$