An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
The reaction of W6Br12 with AgBr in evacuated silica tubes (temperature gradient 925 K/915 K) yielded brownish black octahedra of Ag[W6Br14] (I) and yellowish green platelets of Ag2[W6Br14] (II) both in the low temperature zone. (I) crystallizes cubically (Pn3 (no. 201); a = 13.355 Å, Z = 4) and (II) monoclinically (P21/c (no. 14); a = 9.384 Å, b = 15.383 Å, c = 9.522 Å, β = 117.34°, Z = 2). Both crystal structures contain isolated cluster anions, namely [(W6Bri8)Bra6]1– and [(W6Bri8)Bra6])]2–, respectively, with the mean distances and angles: (I) d(W–W) = 2.648 Å, d(W–Bri) = 2.617 Å, d(W–Bra) = 2.575 Å, d(Bri…Bri) = 3.700 Å, d(Bri…Bra) = 3.692 Å, ∠W–Bri–W = 60.78°. (II) d(W–W) = 2.633 Å, d(W–Bri) = 2.624 Å, d(W–Bra) = 2.613 Å, d(Bri…Bri) = 3.710 Å, d(Bri…Bra) = 3.707 Å, ∠W–Bri–W = 60.23°. The Ag+ cations are trigonal antiprismatically coordinated in (I) with d(Ag–Br) = 2.855 Å, but distorted trigonally planar in (II) with d(Ag–Br) = 2.588–2.672 Å. The structural details of hitherto known compounds with [W6Br14] anions will be discussed. Die Clusterverbindungen Ag[W6Br14] und Ag2[W6Br14] Bei der Umsetzung von W6Br12 mit AgBr in evakuierten Quarzglasampullen (Temperaturgradient 925 K/915 K) entstehen in der kalten Zone nebeneinander schwarzbraune Oktaeder von Ag[W6Br14] (I) und gelbgrüne Blättchen von Ag2[W6Br14] (II). (I) kristallisiert kubisch (Pn3 (Nr. 201); a = 13.355 Å, Z = 4) und (II) monoklin (P21/c (Nr. 14); a = 9.384 Å, b = 15.383 Å, c = 9.522 Å, β = 117.34°, Z = 2). Die Kristallstrukturen enthalten die isolierten Clusteranionen [(W6Bri8)Bra6]1– bzw. [(W6Bri8)Bra6])]2–, mit den mittleren Abständen und Winkeln: (I) d(W–W) = 2.648 Å, d(W–Bri) = 2.617 Å, d(W–Bra) = 2.575 Å, d(Bri…Bri) = 3.700 Å, d(Bri…Bra) = 3.692 Å, ∠W–Bri–W = 60.78°. (II) d(W–W) = 2.633 Å, d(W–Bri) = 2.624 Å, d(W–Bra) = 2.613 Å, d(Bri…Bri) = 3.710 Å, d(Bri…Bra) = 3.707 Å, ∠W–Bri–W = 60.23°. Die Ag+-Kationen sind in (I) trigonal-antiprismatisch koordiniert mit d(Ag–Br) = 2.855 Å, in (II) verzerrt trigonal-planar mit d(Ag–Br) = 2.588–2.672 Å. Die strukturellen Einzelheiten der bisher bekannten Verbindungen mit [W6Br14]-Anionen werden diskutiert.
Two mixed ligand complexes of [M2(H2O)2(phen)2(C7H10O4)2] · 4 H2O(M = Mn (1), Cu (2)) were synthesized and the crystal structures were established using the single crystal X-ray diffraction methods. In 1 (P1 (no. 2), a = 10.169(1) Å, b = 10.194(1) Å, c = 11.921(2) Å, α = 65.55(1)°, β = 65.54(1)°, γ = 88.96(1)°, V = 1006.3(3) Å3, Z = 1), the Mn atoms are octahedrally coordinated by two N atoms of one phen ligands and four O atoms of one H2O molecule and three tridentate pimelato ligands (d(Mn–N) = 2.284, 2.303 Å; d(Mn–O) = 2.152–2.200 Å). Two adjacent [MnN2O4] octahedra are condensed via two bidentate bridging carboxyl O atoms into [Mn2N4O6] subunits, which are interlinked through pimelato ligands to form 1D [Mn2(H2O)2(phen)2(C7H10O4)4/2] bands with phen ligands on both sides. The 1D bands extending in [010] direction are assembled into 2D layers parallel to (100) by π-π stacking interactions between two adjacent phen rings from different bands. The hydrogen bonded H2O molecules are sandwiched between layers. Complex 2 (P21/n (no. 14), a = 9.908(1) Å, b = 11.620(1) Å, c = 17.890(2) Å, β = 103.15(1)°, V = 2005.7(3) Å3, Z = 2) consists of the centrosymmetric dinuclear [Cu2(H2O)2- (phen)2(C7H10O4)2] complex molecules and hydrogen bonded H2O molecules. Each Cu atom coordinates to two N atoms of one phen ligand and three O atoms of one H2O molecule and two bis-monodentate pimelato ligands to give a distorted square-pyramidal coordination with the H2O molecule at the apical site (d(Cu–N) = 2.023, 2.030 Å, basal d(Cu–O) = 1.941, 1.967 Å, axial d(Cu–O) = 2.268 Å). The π-π stacking interactions and hydrogen bonding are responsible for the supramolecular assemblies. Darstellungen und Kristallstrukturen von [M2(H2O)2(phen)2(C7H10O4)2] · 4 H2O mit M = MnII, CuII und phen = 1,10-Phenanthrolin Zwei Komplexe mit den Zusammensetzungen von [M2(H2O)2(phen)2(C7H10O4)2] · 4 H2O (M = Mn (1), Cu (2)) wurden dargestellt und röntgenographisch mittels Einkristallmethoden charakterisiert. In 1 (P1 (Nr. 2), a = 10,169(1) Å, b = 10,194(1) Å, c = 11,921(2) Å, α = 65,55(1)°, β = 65,54(1)°, γ = 88,96(1)°, V = 1006,3(3) Å3, Z = 1) sind die Mn-Atome jeweils oktaedrisch von zwei N-Atomen eines Phen-Liganden und vier O-Atomen eines H2O-Moleküls und dreier dreizähnigen Pimelato-Liganden koordiniert (d(Mn–N) = 2,284, 2,303 Å; d(Mn–O) = 2,152–2,200 Å). Zwei benachbarte [MnN2O4]-Oktaeder sind durch zwei zweizähnigen Carboxyl–O-Atome zur [Mn2N4O6]-Einheit verbunden und durch verbrückende Pimelatanionen zu [Mn2(H2O)2(phen)2(C7H10O4)4/2]-Bändern mit den Phen-Liganden auf beiden Seiten verknüpft. Die Bänder werden durch π-π-Wechselwirkungen zu den 2D-Schichten zusammengehalten, zwischen denen die H2O-Moleküle lokalisiert sind. Der Komplex 2 (P21/n (Nr. 14), a = 9,908(1) Å, b = 11,620(1) Å, c = 17,890(2) Å, β = 103,15(1)°, V = 2005,7(3) Å3, Z = 2) ist von zentrosymmetrischen dinuklearen [Cu2(H2O)2(phen)2(C7H10O4)2]-Molekülen und den über H-Brücken gebundene H2O-Molekülen aufgebaut. Die Cu-Atome sind jeweils umgeben von zwei N-Atomen eines Phen-Ligandens und drei O-Atomen eines H2O-Moleküls und zweier zweifach einzähniger Pimelato-Liganden,wodurch eine verzerrt-quadratische Pyramide mit dem H2O-Molekül an der Spitze gebildet wird (d(Cu–N) = 2,023, 2,030 Å, äquatoriale d(Cu–O) = 1.941, 1.967 Å, axiale d(Cu–O) = 2.268 Å). In beiden Komplexen sind die π-π-Wechselwirkungen und Wasserstoffbrückenbindungen für das supramolekulare Ensemble verantwortlich.
The title compound [La(phen)2(H2O)2(NO3)2](NO3) · 2(phen)(H2O) with phen = 1,10-phenanthroline was prepared by the stoichiometric reaction of La(NO3)3 · 6 H2O and 1,10-phenanthroline monohydrate in a CH3OH–H2O solution. The crystal structure (triclinic, P 1 (no. 2), a = 11.052(2), b = 13.420(2), c = 16.300(2) Å, α = 78.12(1)°, β = 88.77(1)°, γ = 83.03(1)°, Z = 2, R = 0.0488, wR2 = 0.1028) consists of [La(phen)2(H2O)2(NO3)2]2+ complex cations, NO3– anions, phen and H2O molecules. The La atom is 10-fold coordinated by four N atoms of two bidentate chelating phen ligands and six O atoms of two H2O molecules and two bidentate chelating NO32– ligands with d(La–O) = 2.522–2.640 Å and d(La–N) = 2.689–2.738 Å. The intermolecular π-π stacking interactions play an essential role in the formation of two different 2 D layers parallel to (001), which are formed by complex cations and uncoordinating phen molecules, respectively. The uncoordinated NO3– anions and H2O molecules are sandwiched between the cationic and phen layers.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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