نتایج جستجو برای: disordered atoms
تعداد نتایج: 87941 فیلتر نتایج به سال:
In the title compound, [Cu(CH(3)CO(2))(C(12)H(8)N(2))(2)](CF(3)CO(2))·4H(2)O, the Cu(II) atom shows a distorted octa-hedral coordination with four N atoms [Cu-N = 2.015 (3)-2.244 (3) Å] from the two phenanthroline ligands and two O atoms from the acetate [Cu-O = 1.953 (3) and 2.764 (3) Å]. Strong inter-molecular O-H⋯O hydrogen-bonding inter-actions consolidate the crystal packing. The F atoms o...
The Cu(II) atoms in the title coordination polymer, {[Cu(C(13)H(11)N(4)O)(C(2)N(3))]·H(2)O}(n), are N,N',O-chelated by the deprotonated Schiff base ligands, and adjacent metal atoms are bridged by the dicyanamide ions, generating a polymeric chain that propagates along the b axis. The two independent metal atoms show a square-pyramidal N(4)O coordination. The two independent water mol-ecules ar...
In the title complex, [Ni(C(13)H(10)N(4)O(8))(H(2)O)(2)]·2H(2)O, the Ni(2+) cation is six-coordinated by two N atoms and two O atoms from the tetra-dentate anion in equatorial positions and by two water O atoms in axial positions, leading to a distorted octa-hedral environment. The central C atom of the propanediyl unit is disordered over two sites in a 0.531 (6):0.469 (6) ratio. In the crystal...
Although the mol-ecular structure of the title compound, C22H32N4O8, displays a twofold symmetry of the mol-ecule including the meth-oxy and methyl substituents, no crystallographic twofold symmetry is observed in the X-ray structure analysis. The carbonyl O atoms alternately point to different sides of the plane defined by the carbonyl C atoms. Two meth-oxy groups are oriented inside the mol-e...
In the title coordination polymer, [Cu(NO(3))(2)(C(12)H(12)N(2)O(2))](n), the Cu(II) ion, situated on an inversion center, is coordinated by two O atoms from two nitrate anions and two N atoms from two 1,4-bis-(4,5-dihydro-1,3-oxazol-2-yl)benzene (L) ligands in a distorted square-planar geometry. Each L ligand also lies across an inversion center and bridges two Cu(II) ions, forming a polymeric...
In the title compound, [RhCl(3)(CH(3)CN)(C(18)H(21)P)(2)]·2CH(3)CN, the complex mol-ecule lies on a twofold rotation axis that passes through the Rh(III) atom, one Cl atom, and the C and N atoms of the coordinated acetonitrile mol-ecule. The Rh(III) atom is coordinated by two P atoms in trans positions, three Cl atoms and an acetonitrile mol-ecule in a distorted octa-hedral geometry. Intra-mole...
RbH2AsO4, rubidium di-hydrogenarsenate (RDA), was synthesized by partial neutralization of an aqueous H3AsO4 solution with aqueous Rb2CO3. Its paraelectric room-temperature phase is composed of virtually regular tetra-hedral [AsO2(OH)2](-) anions and Rb(+) cations, both located on -4 positions. The [AsO2(OH)2] units are connected via O-H⋯O hydrogen bonds into a three-dimensional network, whereb...
In the title mol-ecule, C(24)H(22)N(2), four atoms (N-C-C-N) of the heterocyclic ring, with their attached H atoms, and all atoms of the methyl group, are disordered over two positions; the site-occupancy factor of the major component is 0.713 (6). The major disorder component of the heterocyclic ring adopts a half-chair conformation, with all substituents equatorial. The benzene ring adjacent ...
In the title compound, C(16)H(13)N(5)O(2)S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intra-molecular N-H⋯O hydrogen bond. The maximum deviation from planarity is 0.022 (2) Å. The thia-diazole and pyridine heterocyclic rings are close to being coplanar, with a dihedral angle of 6.7 (2)° between their mean planes. Inter-molecular N-H⋯O hydr...
In the title compound, [Mn(C(2)H(8)N(2))(3)]SO(4), the metal atom (site symmetry 3.2) is coordinated by six N atoms from three ethyl-enediamine (en) ligands in a slightly distorted octa-hedral geometry. The en ligands are generated from one half-mol-ecule in the asymmetric unit. The O atoms of the sulfate anion (S site symmetry 3.2) are disordered over four orientations in a 0.220 (12):0.210 (1...
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