A mononuclear cobalt(III) complex with 2-[(2-hydroxymethylphenyl)iminomethyl]phenol (H₂L1-H) and dimethylaminopyridine (dmpa), [Co(L1-H)(HL1-H)dmpa]·CH₃CN, was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in the monoclinic space group P2₁/n (#14) with cell parameters a = 10.551(2)Å, b = 12.499(3)Å, c = 24.242(6)Å, β = 92.004(4)°, V = 3194.8(12)ų, D_calcd = 1.400 g/cm³, Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0483 and 0.1226, respectively, for all 7112 independent reflections. The coordination forms of the two H₂L1-H ligands are dianionic tridentate and monoanionic bidentate, respectively.

The crystal structure of 1,3-bis(3,5-dibromosalicylideneamino)-2-propanol was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group P2₁/n with a = 16.5374(17)Å, b = 18.1164(19)Å, c = 19.330(2)Å, β = 93.608(3)°, V = 5779.9(10)ų, D_x = 2.117 g/cm³, and Z = 12. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0743 and 0.1541, respectively, for all 13203 independent reflections. The crystal contains three crystallographically independent Schiff-base molecules. Each molecule takes a bended structure at the central carbon atom with a dihedral angle of between the two 3,5-dibromosalicylideneaminomethyl planes of 79.68, 84.52, or 89.72°. The three Schiff-base molecules are connected one another by intermolecular hydrogen bonds between an alcohol-oxygen atom and a phenolato-oxygen atom of a neighboring Schiff-base molecule.

The structure of pyridin-4-ylmethyl 4-nitrobenzoate was determined by the single-crystal X-ray diffraction method. The compound crystallized in a monoclinic system, P2₁/n, and the unit cell parameters are, a = 9.981(2), b = 12.347(3), c = 10.161(3)Å, β = 101.450(9), Z = 4, V = 1227.3(5)ų. The crystal structure was solved by intrinsic phasing and refined to final values of R1 = 0.0451 and wR2 = 0.1393.

The crystal structure of a hydrolyzed product of the cobalt(III) complex with 1-(3,5-dichlorosalicylideneamino)-3-amino-2-propanol (H₂dcsalapr) was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the triclinic space group P1 with a = 9.2242(15)Å, b = 9.3391(16) Å, c = 9.5525(16)Å, α = 75.574(3)°, β = 85.550(3)°, γ = 69.154(3)°, V = 744.7(2)ų, D_x = 1.634 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0489 and 0.1093, respectively, for all 3319 independent reflections. The X-ray structure analysis revealed a centrosymmetric octahedral Co(III) complex with two hydrolyzed Schiff-base ligands, Hdcsalapr⁻, in a facial mode, one chloride ion, two acetonitrile molecules, and two water molecules in the unit cell, which was formed from the reaction solution of cobalt(II) chloride hexahydrate with 1,3-bis(3,5-dichlorosalicylideneamino)-2-propanol in the presence of triethylamine in acetonitrile.

The title compound, [CoCl₂(qboz)], [qboz = 2-(quinolin-2-yl)-4H-benzo[d][1,3]oxazine], was synthesized and characterized by single-crystal X-ray analysis. This compound crystallizes in the triclinic space group P1 with cell parameters of a = 7.996(5)Å, b = 8.580(6)Å, c = 12.508(8)Å, α = 99.154(11)°, β = 93.012(11)°, γ = 108.108(8)°, V = 800.5(9)ų, D_calcd = 1.618 g/cm³, Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0345 and 0.0875, respectively, for all 3549 independent reflections. The benzoxazine ligand is believed to have been obtained by the nucleophilic addition of benzyl alcohol to imine carbon and the subsequent metal-catalyzed air oxidation of the Schiff-base ligand.

Salt-like cocrystals of favipiravir (FVR) with monoethanolamine (MEA) (I) and ethylendiamine (en) (II) have been determined by X-ray crystallography. The crystallographic data are (1), monoclinic P2₁/c, Z = 4, a = 12.2433(3), b = 22.5400(5), c = 7.3223(3)Å, β = 106.287(3)°, V = 1939.6(1)Å, R₁ = 0.0499; (II), triclinic P1, Z = 2, a = 8.5903(12), b = 9.4980(10), c = 10.0337(13), α = 83.464(10), β = 79.338(11), γ = 80.665(10)Å, V = 790.90(18)ų, R = 0.0709. In both of compounds, FVR is a single charged anion with a deprotonated 2-hydroxyl group. The asymmetric unit of the lattice consists: (1) of two FVR anion and two MEA cations; (2) of two FVR anions and one a double charged en cation.

A dinuclear Cu(II) complex, [Cu₂(OAc)₂(tpxn)(H₂O)₂](PF₆)₂ [tpxn = N,N,N′,N′-tetrakis(2-pyridylmethyl)-1,4-xylenediamine], was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in the monoclinic space group P2₁/c with a = 9.310(4), b = 10.880(4), c = 20.628(8)Å, β = 91.581(6)°, V = 2088.6(14)ų, D_calcd = 1.704 g/cm³, and Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0343 and 0.0923, respectively, for all 4731 independent reflections. The complex contains two square-pyramidal Cu(II) ions bound to both terminal tridentate sites of tpxn.

The title compound of [Ru₂(O₂CCH₂CH₂CH₃)₄Br]_n was prepared and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the tetragonal space group I42d with a = 13.2222(10)Å, c = 24.0779(18)Å, V = 4209.5(7)ų, D_x = 1.990 g/cm³, and Z = 8. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0310 and 0.0572, respectively, for all 2430 independent reflections. The two ruthenium atoms are bridged by four n-butyrato ligands in the syn-syn mode with the Ru–Ru distance of 2.2897(9)Å. Both of the axial sites of the dinuclear ruthenium units are bridged by bromido ligands with the Ru–Br distance of 2.7078(7)Å to form an alternated zig-zag chain molecule with Ru–Ru–Br and Ru–Br–Ru angles of 172.68(2) and 117.21(3)°, repectively. The temperature-dependent profile of the magnetic moment was simulated with g = 2.14, D = 67 cm⁻¹, zJ = 0.38 cm⁻¹ values. The g and D values are similar to those of other tetracarboxylato Ru₂⁵⁺ complexes.

The structure of [{Rh₂^II,II(O₂CCH₃)₄}{Pt₂^II,II(acam)₂(NH₃)₄}₂(PF₆)₄·C₂₄H₄₈O₁₂]_n (acam = acetamidate) was determined via X-ray crystallography. The substance crystallizes in a triclinic system, and is described as follows: P-1, a = 10.8370(3), b = 11.4188(4), c = 19.4055(7)Å, α = 84.079(3)°, β = 89.031(3)°, γ = 62.366(3)°, Z = 2, V = 2114.77(13) ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.0620 and wR2 = 0.1126.

The compound crystallized in a monoclinic system, and was characterized thus: space group P2₁/n, a = 7.887(41)Å, b = 21.853(11)Å, c = 14.355(7)Å, β = 100.567(4)°, Z = 4, V = 2432.27(28)ų. The crystal structure was solved by direct methods and refined by full-matrix least squares on F₂ to final values of R₁ = 0.0539 and wR₂ = 0.1568. 1,3-Diyne of the title compound, undergoing C–C bond coupling with carbon monoxide, cross-links to {(η⁵-Cp)₂Fe₂(μ-CO) (CO)₂}-group to form a 1,2-dimetalla-3-cyclopentene-5-one by a (μ, η¹: η¹: η²)-bond fashion with atomic distances of Fe1–Fe2 2.553(1)Å, Fe1–C1 2.058(3)Å, Fe2–C2 1.945(3)Å, C1–C2 1.423(4)Å, and C1–C3 1.499(4)Å, respectively.

The crystal structure of double salt (1,1′-(1,7-heptanediyl)bis(pyridinium))₂[Ni(dmit)₂]₃ (dmit = 2-thioxo-1,3-dithiole-4,5-dithiolato) was determined by the single-crystal X-ray diffraction method at 173 K. The title compound crystallizes in the triclinic space group P-1 with a = 9.9562(8)Å, b = 12.7874(10)Å, c = 15.9682(12)Å, α = 109.1120(10)°, β = 102.4390(10)°, γ = 102.7060(10)°, V = 1780.4(2)ų, D_x = 1.741 g/cm³, Z = 1. The R1[I > 2σ(I)] and wR2 (all data) values are 0.0215 and 0.0580, respectively, for all 5945 independent reflections. The crystal structure contains two types of anions with different valences: [Ni(dmit)₂]⁻ (A1) and [Ni(dmit)₂]²⁻ (A2). A one-dimensional network was formed between the A1 anions along the a + b axis through π-π interactions, and S–S contacts were formed between A1 and A2. The same crystal structure was obtained when the synthetic conditions were changed with the aim of obtaining single salts, thus suggesting that the characteristic double salt was the most stable species.

Di-μ₄-oxido-di-μ₃-oxido-bis(μ₃-4-chlorobenzoato)-hexakis(μ-4-chlorobenzoato)-bridged octanuclear manganese(II,III) complex with 1,3-bis(3-methoxy-5-nitrosalicylideneamino)-2-propanol (H₃mnsap), [Mn₈(μ-mnasp)₂(μ₄-O)₂(μ₃-O)₂(μ₃-ClC₆H₄COO)₂(μ-ClC₆H₄COO)₆(CH₃OH)₂(H₂O)₂]·2CH₃OH·C₂H₅OC₂H₅, was prepared, and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. The complex crystallizes in in the triclinic space group P1 with a = 13.6900(16)Å, b = 14.8751(17)Å, c = 16.1495(18)Å, α = 90.665(2)°, β = 105.392(2)°, γ = 115.948(2)°, V = 2820.0(6)ų, D_x = 1.694 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0672 and 0.1864, respectively, for all 12624 independent reflections. A crystal-structure analysis revealed a crystallographic centrosymmetric mixed-valent octanuclear Mn^II₂Mn^III₆ complex, where two Mn^II Mn^III dinuclear moieties bridged by alcoholato-oxygen of mnasp³⁻ are connected by two μ₃-oxido and two μ₄-oxido oxygen atoms and six syn-syn-bridging and two monoatomic bridging plus syn-syn-bridging of 4-chlorobenzoate ligands to a defective double-cubane Mn^III₄ moiety.

The crystal structure of tris{2-(2-imidazolyl)phenolato}iron(III), which was synthesized by a reaction of Fe(BF₄)₂·6H₂O and 2-(2-imidazolyl)phenolate in methanol, was determined by X-ray crystallography. The compound crystallized in the trigonal space group R-3 and Z = 6 with cell parameters a = 15.830(3)Å, c = 19.973(4)Å, V = 4334.4(18)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values are 0.0385 and 0.1005, respectively, for all 2337 independent reflections. The iron atom is coordinated by three 2-(2-imdazolyl)phenolato ligands in a facial N₃O₃ configuration, where the solvent methanol molecules are hydrogen-bonded to the phenolato-oxygen atoms.

A mononuclear iron(III) complex, [Fe(dmf )₆][PF₆]₃ [hexakis(dimethylformamide-κO)iron(III) tris(hexafluoridophosphate)], was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the triclinic space group P1 and Z = 2 with cell parameters a = 11.9608(3)Å, b = 13.1544(4)Å, c = 13.4260(3)Å, α = 81.340(2)°, β = 81.572(2)°, γ = 65.340(3)°, and V = 1889.61(10)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values were 0.0556 and 0.1515, respectively, for all 19173 independent reflections. The structure of the complex cation can be approximated as the S₆ symmetry, but the cations are compressed due to the crystal packing.

The title compound, [Mn₂(Lox)₄(H₂O)₂(μ-tpa)]·2CH₃OH·4H₂O, [HLox = 4,6-dimethyl-3-(4,4-dimethyl-2-oxazolinyl)-N-(2-hydroxy-l,l-dimethylethyl)salicylamide, H₂tpa = terephthalic acid], was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in the triclinic space group P1 with cell parameters a = 11.964(7)Å, b = 13.419(11)Å, c = 15.167(13)Å, α = 82.91(7)°, β = 89.49(6)°, γ = 70.79(5)°, V = 2280(3)ų, D_calcd = 1.296 g/cm³, Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0514 and 0.1800, respectively, for all 8015 independent reflections. Two manganese(III) units are bridged by terephthalate dianion with a monoatomic coordination mode.

The title polymer compound with chlorobenzene as crystal solvents [Rh₂^II(4-Me-pf )₂(O₂CCMe₃)₂(1,4-dib)]_n·n(chlorobenzene) (4-Me-pf⁻ = N,N′-di-p-tolylformamidinate; 1,4-dib = 1,4-diisocyanobenzene) was isolated and the crystal structure was determined by the single-crystal X-ray diffraction method at 150 K. It crystallizes in the triclinc space group P1 with a = 10.6491(8)Å, b = 12.5796(11)Å, c = 19.3388(15)Å, α = 85.901(5)°, β = 77.146(5)°, γ = 85.792(5)°, V = 2514.9(4) ų, D_x = 1.446 g/cm³, and Z = 2. The R₁ [I > 2σ(I)] and wR₂ (all data) values are 0.0555 and 0.1563, respectively, for all 8757 independent reflections. Two Rh^II atoms are bridged by two 4-Me-pf⁻ and two pivalato ligands in the cis-(2:2) fashion. The axial sites of the dinuclear core are occupied by 1,4-dib ligands with distances of Rh–C_ax = 2.129(6) and 2.129(7)Å to form a chain structure with alternated arrangement of cis-[Rh₂^II(4-Me-pf )₂(O₂CCMe₃)₂] and 1,4-dib. The Rh–Rh distance is 2.4845(6)Å, which is longer than the observed range for those of the lantern-type dirhodium(II) complexes with formamidinato and pivalato bridges and axially coordinating nitorgen atoms, reflecting the strong donor properies of the 1,4-dib carbon atoms. The diffuse reflectance spectra and adsorption properties for N₂ were also examined.

The crystal structure of [{m,m-bis(Zn^II-cyclen)}₃(μ₂-CO₃)₂(H₂O)₂](ClO₄)₈·nH₂O, m,m-bis(Zn^II-cyclen) = 1¹,1⁴,1⁷,1¹⁰,5¹,5⁴,5⁷,5¹⁰-​octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane dizinc(II) complex, was determined by the single-crystal X-ray diffraction method at 93.15 K. The titled complex crystallized in the monoclinic space group P2₁/n and Z = 4 with a = 16.2677(1), b = 26.5722(2), c = 30.8348(2)Å, β = 94.2040(10)°, and V = 13293.05(16)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values were 0.0682 and 0.2005, respectively, for all 24139 independent reflections. In the crystal structure, three m,m-bis(Zn^II-cyclen) units are linked via two μ₂-carbonate ions and form a single strand chain. Crystal water is coordinated to each end of the chain. The respective Zn^II center forms a slightly distorted square pyramidal geometry. The hydrogen bond network among the cyclen rings, carbonate ions, crystal waters, and perchlorate ions connects m,m-bis(Zn^II-cyclen) units.