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. 2021 Sep 21;7(9):e08050. doi: 10.1016/j.heliyon.2021.e08050

Table 1.

Crystal data and structure refinements of 2.

2
Formula C72H54Cr2N2O10P4
Mr 1335.05
Temp [K] 150(2)
Crystal system monoclinic
Space group P 21/n
a [Å] 13.622(5)
b [Å] 13.060(5)
c [Å] 39.153(5)
α [°] 90
β [°] 91.511(5)
γ [°] 90
V3] 6963(4)
Z 4
ρcalcd (Mg m−3) 1.274
F(000) 2752
Abs coeff (mm−1) 3.907
No. of rflns coll. 49675
No. of indep rflns 13508
Rint 0.0318
No. of parameters 813
R1 (I > 2σ(I)) 0.0390
wR2 (all data) 0.1115
(Δ/ρ)max [e.Å−3] 0.276
/ρ)min [e.Å−3] -0.268