Table 1.

Crystal data and structure refinements for ZnFLC.

Compound	ZnFLC
Formula	C78H72F12N36O44V10Zn3
Formula weight	3151.23
T(K)	300(2)
Crystal system, space group	Monoclinic, P21/c
Unit cell dimensions	a = 16.983(2) Å, α = 90°
	b = 17.773(2) Å, β = 110.3 (4)°
	c = 20.033(3) Å, γ = 90°
Volume (Å3)	5670.3(1)
Z, ρcalcd (g cm−3)	2, 1.846
μ (mm−1)	1.526
F(000)	3144
Crystal size	0.32 × 0.25 × 0.21 mm
Theta range for data collection	2.29–25.08°
Limiting indices	−20 ≤ h ≤ 20, −21 ≤ k ≤ 21, −23 ≤ l ≤ 23
Reflections collected/unique	79,761/10,019 [Rint = 0.1083]
Completeness to θ = 25.08	99.6%
Max. and min. transmission	0.726 and 0.639
Data/restraints/parameters	10,019/0/826
Goodness-of-fit on F2	1.068
Final R indices [I > 2sigma(I)]	R1 = 0.0672, wR2 = 0.1777
R indices (all data)	R1 = 0.1043, wR2 = 0.2253
Largest diff. peak and hole	1.357 and −0.767 e Å−3