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. 2019 Oct 18;8(10):1298–1302. doi: 10.1002/open.201900271

Table 1.

Selected crystal and refinement data.

Re[TpFPBCP]O “Re[TpFPBCP]O2
Empirical formula Formula weight Temperature Wavelength Crystal system Space group C49H26F4N3ORe 934.93 100(2) K 0.7288 Å Monoclinic P21/c C50H28Cl2F4N3O2Re 1035.85 100(2) K 0.7288 Å Triclinic
Unit cell dimensions a=13.1484(9) Å b=12.8968(8) Å c=22.2407(15) Å α = 90° β = 102.763(3)° γ = 90°. a=11.0937(4) Å b=13.7012(5) Å c=14.6725(5) Å α=87.5400(10)° β=68.1790(10)° γ=70.8010(10)°
Volume Z Density (calculated) Absorption coefficient F(000) Crystal size Reflections collected Independent reflections Data / restraints / parameters Goodness‐of‐fit on F2 Final R indices [I>2σ(I)] R indices (all data) 3678.2(4) Å3 4 1.688 Mg/m3 3.566 mm−1 1840 0.120 x 0.005 x 0.005 mm3 59818 6802 [R(int)=0.0604] 6802 / 0 / 528 1.035 R1=0.0281, wR2=0.0673 R1=0.0394, wR2=0.0716 1947.22(12) Å3 2 1.767 Mg/m3 3.521 mm−1 1020 0.250 x 0.130 x 0.020 mm3 81871 14856 [R(int)=0.0317] 14856 / 3 / 569 1.105 R1=0.0224, wR2=0.0579 R1=0.0234, wR2=0.0584