Synthesis, Novel Crystal Structure, and 𝛽-Amyloid Binding Property of Re(I) (tricarbonyl)⁺ EHIDA Analogue

Table 1

Summary of crystal data of Re(CO)₃(L).

	Re(CO)3(L)
Empirical formula	C21H19N2O8Re
Formula weight	613.58
Temperature	296 (2) K
Wavelength	0.71073 A
Crystal system, space group	Monoclinic, P2(1)/c
Unit cell dimensions
A (Å)	15.6636 (12)
B (Å)	10.9360 (8)
C (Å)	27.756 (2)
𝛼(^∘)	90.000 (0)
𝛽(^∘)	90.783 (5)
𝛾(^∘)	90.000 (0)
Unit cell Volume (Å^3)	4754.1 (6)
Z, Calculated density	8, 1.715 mg/m^3
Absorption coefficient (mm^-1)	5.158 mm^-1
F(000)	2384
Crystal size	0.34×0.07×0.05 mm
Completeness to theta = 25.46	99.5%
Goodness-of-fit on 𝐹^2	1.007
Final 𝑅 indices [𝐼>2𝜎(𝐼)]; 𝑅1, 𝑤𝑅2	0.0324, 0.0729
𝑅 indices (all data); 𝑅1, 𝑤𝑅2^a	0.0619, 0.0838

a 𝑅₁=∑(|𝐹_𝑜|−|𝐹_𝑐|)/∑|𝐹_𝑜|; 𝑤𝑅₂=[∑[𝑤(𝐹²_𝑜−𝐹²_𝑐)²]/∑[𝑤(𝐹²_𝑜)²]]^1/2.