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Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

ABSTRACT: The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular N-H?F and O-H?F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H?O hydrogen bonds and further consolidate the packing.

SUBMITTER: Abdi I

PROVIDER: S-EPMC4257444 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

Abdi Insaf I Al-Sadhan Khulood K Ben Ali Amor A

Acta crystallographica. Section E, Structure reports online 20141108 Pt 12

The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol- ...[more]

PMID: 25552968

Similar Datasets

Crystal structure of bis-(propane-1,3-di-ammonium) hexa-fluorido-aluminate fluoride trihydrate.

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Project description:In the crystal structure of the title solvated molecular salt, C(3)H(12)N(2) (2+)·C(7)H(3)NO(4) (2-)·C(2)H(6)OS, two amine groups of propane-1,3-diamine (pda) are protonated and two carb-oxy-lic acid groups of pyridine-2,5-dicarb-oxy-lic acid (2,5-pydcH(2)) are deprotonated. The crystal packing features N-H⋯O hydrogen bonds and weak C-H⋯O inter-molecular inter-actions.

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Poly[[nona-aqua-bis-(?-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Project description:In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

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Project description:In the title compound, (C(3)H(12)N(2))[Cu(C(7)H(3)NO(4))(2)]·4H(2)O, the Cu(II) atom is six-coordinated in a distorted octa-hedral geometry by two tridentate pyridine-2,6-dicarboxyl-ate (pydc) ligands. In the crystal, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds, as well as ?-? stacking inter-actions between the pyridine rings of the pydc ligands [centroid-centroid distance = 3.4714?(14)?Å] are present. C=O?? inter-actions between the carbonyl groups and pyridine rings [O?centroid distances = 3.150?(2) and 3.2233?(19)?Å] are also observed.

| S-EPMC3152145 | biostudies-literature

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