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. 2024 Nov 8;29(22):5289. doi: 10.3390/molecules29225289

Table 1.

Crystallographic data for Cuttpa and Mnttpa.

Cuttpa Mnttpa
Formula C32H30CuN10O4 C64H46Mn2N22O14
Fw 682.20 1457.11
T/K 188 (2) 189 (2)
Crystal system Monoclinic Triclinic
Space group P21/c P1¯
a/Å 14.7579 (10) 11.5963 (8)
b/Å 18.6867 (13) 17.6243 (11)
c/Å 11.5203 (9) 19.6708 (12)
α (°) 90 113.519 (2)
β (°) 100.047 (2) 94.839 (2)
γ (°) 90 104.434 (2)
V /Å3 3128.3 (4) 3492.6 (4)
F(000) 1412 1492
Z 4 2
ρcalcd (g cm−3) 1.448 1.386
µ(mm−1) 0.753 0.440
Reflections collected 60030 68,021
Unique reflections 7209 [R(int) = 0.0894] 15,953 [R(int) = 0.0951]
Parameter 424 939
Goodness of fit 1.050 1.050
R1 [I > 2σ(I)] 0.0541 0.0591
wR2 (all data) 0.1519 0.1797