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Materials 2021, 14, 1786 Materials 2021, 14, 1786 10 of 20 coordination layers of along the [001] direction (one of the layers is shown in green color and the color and the crystallization water molecules are drawn in a space fill model and orange/yellow crystallization water molecules are drawn in a space fill model and orange/yellow color scheme). color scheme). Table 4. Geometric information (distances in Å and angles in degrees) for the D–H···O hydrogen bond interactions of the Table 4. Geometric information (distances in Å and angles in degrees) for the D–H···O hydrogen bond interactions of the TbCP2, {[Tb(Haip)(aip)(H2O)2]·H2O}n, crystal structure. TbCP2, {[Tb(Haip)(aip)(H2O)2]·H2O}n, crystal structure. 10 of 19 Figure 4. StructuralfeatturressooffththeecrcyrystsatlasltsrturcutcutrueroefoTfbTCbPC2P,2{[,T{[bT(Hb(aHipa)i(pa)i(pa)i(pH)(HO2)O])·2H]·HO2O} }:n:(a(a) )neu- 222n neutral 2D CP (coordination layer), extended in the ab plan of the unit cell. (b) Close packing of tral 2D CP (coordination layer), extended in the ab plan of the unit cell. (b) Close packing of individual individual coordination layers of along the [001] direction (one of the layers is shown in green D–H···O D–H···O O1W−H2W···O6v v O1W−H2W···O6 d (H···O) d (H···O) d (D···O) d (D···O) ∠ (DHO) D–H···O d (H···O) d (D···O) ∠ (DHO) O2W−H3W···O8vi O2W−H3W···O8vi 2.01(4) 2.759(4) 123(4) O2W−H4W···O3W O2W−H4W···vOii3W 2.14(2) 3.024(4) 170(4) N2−H5N···O5 2.26(2) 3.106(4) 170(4) N2−H5N···O5viii 2.26(2) 3.106(4) 171(4) N1−H1N···O2 1.994(19) 2.873(5) 154(4) O3W−H5W···O1 2.13(2) 2.985(5) 174(4) viiivii N1−H1N···O2 1.90(3) 2.719(4) 154(4) O3W−H5W···O1 2.13(2) 2.985(5) 157(5) N1−H2N···O6 1.80(2) 2.687(4) 172(4) 2.14(2) 3.024(4) 171(4) 1.994(19) 2.873(5) 174(4) 1.90(3) 2.719(4) 157(5) ∠ (DHO) D–H···O d (H···O) d (D···O) 164(5) N1−H3N··ix·O7ix 2.17(4) 2.717(4) 164(5) N1−H3N···O7 2.17(4) 2.717(4) 167(4) N2−H4N···O3Wviii 2.354(19) 3.193(6) 167(4) N2−H4N···O3Wviii viii 2.354(19) 3.193(6) ∠ (DHO) 2.01(4) 2.759(4) 123(4) N1−H2N···O6viii 1.80(2) 2.687(4) 172(4) Symmetry transformations used to generate equivalent atoms: (v) x, −y+1/2, z−1/2; (vi) x−1, y, z; (vii) −x+1, −y+1, −z; (viii) −x+1, y+1/2, Sy−mzm+1e/t2r;y(itxra) nxs+f1o,rym, za.tions used to generate equivalent atoms: (v) x, −y+1/2, z−1/2; (vi) x−1, y, z; (vii) −x+1, −y+1, −z; (viii) −x+1, y+1/2, −z+1/2; (ix) x+1, y, z.PDF Image | Green Chemistry with Supercritical CO2 and Enzymes
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