Table 1.

Crystal data and structure refinement of 1–3.

	1	2	3
Identification code	K120504	K130805	K131105
Empirical formula	C14H20B10	C17H20B10Cr1O3	C20H20B10Cr2O6
Formula weight	296.40	432.43	568.46
Temperature	293(2) K	293(2) K	293(2) K
Wavelength	0.71073 Å	0.71073 Å	0.71073 Å
Crystal system, space group	Monoclinic, P21/n	Monoclinic, P21/n	Triclinic, Pī
Unit cell dimensions	a = 10.859(1) Å	a = 10.621(3) Å	a = 17.540(2) Å, α = 105.746(2)°
	b = 24.953(3) Å, β = 111.854(2)°	b = 17.056(5) Å, β = 106.622(5)°	b = 18.060(2) Å, β = 110.226(2)°
	c = 13.938(2) Å	c = 12.174(4) Å	c = 19.484(3) Å, γ = 91.256(2)°
Volume	3505.3(8)	2113.2(1)	5528.0(1)
Z, Dcalc	8, 1.123	4, 1.359	2, 0.342
F(000)	1232.0	880.0	572
Crystal size	0.15, 0.13, 0.12	0.17, 0.15, 0.13	0.20, 0.20, 0.15
θ range for data collection	1.63 to 28.37	2.12 to 28.46	1.17 to 28.38
Limiting indices	−14 ≤ h ≤ 14, −33 ≤ k ≤ 32, −18 ≤ l ≤ 18	−14 ≤ h ≤ 14, −22 ≤ k ≤ 22, −16 ≤ l ≤ 16	−23 ≤ h ≤ 23, −24 ≤ k ≤ 24, −26 ≤ l ≤ 25
Reflections collected/unique	35826/8726 [R(int) = 0.0421]	28490/5305 [R(int) = 0.0238]	44259/18014 [R(int) = 0.0398]
Completeness to θ = 28.38	99.3%	99.2%	65.0%
Refinement method	Full-matrix least-squares on F2	Full-matrix least-squares on F2	Full-matrix least-squares on F2
Data/restraints/parameters	8726/0/581	5305/0/360	18014/0/1409
Goodness-of-fit on F2	1.008	1.053	0.902
Final R indices [I > 2θ(I)]	a R1 = 0.0616, b wR2 = 0.1545	a R1 = 0.0332, b wR2 = 0.0958	a R1 = 0.0563, b wR2 = 0.1505
R indices (all data)	a R1 = 0.1037, b wR2 = 0.1897	a R1 = 0.0388, b wR2 = 0.1018	a R1 = 0.0877, b wR2 = 0.1612
Largest diff. peak and hole	0.220 and −0.355 e.Å−3	0.364 and −0.242 e.Å−3	0.687 and −0.375 e.Å−3

^a R₁ = ∑||F_o| − |F_c|| (based on reflections with F_o² > 2σF²), ^b wR₂ = [∑[w(F_o²-F_c²)²]/∑[w(F_o²)²]]^1/2; w = 1/[σ²(F_o²) + (0.095P)²]; P = [max(F_o², 0) + 2F_c²]/3(also with F_o² > 2σF²).