The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2− anions

CrystEngComm ◽  
2020 ◽  
Vol 22 (23) ◽  
pp. 3991-3998
Author(s):  
Maciej Hodorowicz ◽  
Janusz Szklarzewicz ◽  
Anna Jurowska
Keyword(s):  
Crystal Structure ◽  
Cell Volume ◽  
Lithium Cation ◽  
Coordination Modes ◽  
Cation Coordination ◽  
Cyanide Ligands ◽  
Cation Size

Effect of the cation size (compared to Cs+) in Li2[W(CN)6(bpy)] salts on the nature of the interaction with cyanide ligands and on the crystal structure is discussed, unusual decrease of the W–W distance and increase of cell volume are observed.

Wechselwirkungen in Molekülkristallen, 160 [1,2]. Kristallzüchtung und Strukturbestimmung der verschiedenartigen Polyphenyl-Kontaktionenmultipel [p-Quaterphenylee⊖⊖][Na⊕(DME)3]2, [p-Quaterphenyl⊖⊖(Na⊕(THF)3)2] und [p-Terphenyl⊖⊖Na⊕(DME)2Na⊕(DME)]2 / Interaction in Molecular Crystals, 160 [1, 2]. Crystallization and Structure Determination of the Different Polyphenyl Contact Ion Multiples [p-Quaterphenylee⊖⊖][Na⊕(DME)3]2, [p-Quaterphenyl⊖⊖(Na⊕(THF)3)2] und [p-Terphenyl⊖⊖Na⊕(DME)2Na⊕(DME)]2

2000 ◽  
Vol 55 (12) ◽  
pp. 1103-1113 ◽  
Author(s):  
Hans Bock ◽  
K. Gharagozloo-Hubmann ◽  
M. Sievert
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Sodium Salt ◽  
Structure Determination ◽  
Metal Cation ◽  
Molecular Crystals ◽  
Sodium Salts ◽  
Structure Determinations ◽  
Cation Coordination

The π-hydrocarbons p-terphenyl and p-quaterphenyl are reduced to their dianions in aprotic solutions of different ethers at sodium metal mirrors. Single crystal structure determinations of the solvent-separated or solvens-shared contact ion multiples, [p-terphenyl⊖⊖ Na⊕(DME)2Na⊕DME]2, p-quaterphenyl⊖⊖ ][Na⊕(DME)3]2 and [p-quaterpheny⊖⊖( Na⊕(THF)3)2], prove the essential cation solvation by the chelating dimethoxyethane (DME) versus the bulky tetrahydrofuran (THF) ligands: The solution network of equilibria between solvent separated and solvent shared ion aggregates can be considerably and transparently modified by the ether solvent selected. In addition, the structures of the monomeric sodium salts reveal partly novel details of metal cation coordination by contacts Na⊕ ··· O as well as Na⊕ ··· Cπ such as in the dimeric sodium salt of p-terphenyl dianion, [(DME)2Na⊕ (terphenyl⊖⊖)(Na⊕ DME)(terphenyl⊖⊖)Na⊕ (DME)2].

scholarly journals 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Jayaraman Selvakumar ◽  
Kuppuswamy Arumugam
Keyword(s):  
Crystal Structure ◽  
Molecular Weight ◽  
Solid State ◽  
Structural Analysis ◽  
Hydrogen Bonds ◽  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Density Peaks ◽  
Solvent Molecules

The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cubic space group so that one quarter of the molecule is crystallographically unique, the molecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent molecules to the scattering was removed using a solvent mask and is not included in the reported molecular weight. No classical hydrogen bonds are observed between the main molecules.

Cyano-Bridged Bimetallic Complexes of Copper(II) with Nitroprusside. Crystal Structure of [Cu(H2NCH2CH(NH2)CH3)2Fe(CN)5NO] . H2O

2000 ◽  
Vol 53 (3) ◽  
pp. 225 ◽  
Author(s):  
Zdenek Smékal ◽  
Zdenek Trávnícek ◽  
Jaromír Marek ◽  
Milan Nádvornik
Keyword(s):  
Crystal Structure ◽  
Structural Analysis ◽  
Magnetic Measurements ◽  
X Ray ◽  
Cyanide Group ◽  
Cyanide Ligand ◽  
Binuclear Structure ◽  
Tetragonal Pyramidal ◽  
Cyanide Ligands ◽  
Diamine Ligands

Five new complexes of compositions [Cu(1,2-pn)2Fe(CN)5NO]·H2O (1,2-pn = propane-1,2-diamine) and [Cu(L)Fe(CN)5NO]·xH2O (L = tmen (N,N,N′,N′-tetramethylethane-1,2-diamine), x = 0.5; L = trimeen (N,N,N′-trimethylethane-1,2-diamine), x = 1; L = dien (N-(2-aminoethyl)ethane-1,2-diamine), x = 0; L = medpt (N-(3-aminopropyl)-N-methylpropane-1,3-diamine), x = 2) have been isolated from the reaction mixture of Cu(ClO4)2·6H2O (or CuCl2·2H2O), the amine and Na2 [Fe(CN)5NO]·2H2O in water. The complexes have been characterized by infrared and ultraviolet–visible spectroscopies, and magnetic measurements. Single-crystal X-ray structural analysis revealed that the [Cu(1,2-pn)2Fe(CN)5NO]·H2O complex assumes a cyanide-bridged binuclear structure in which iron(II) is six-coordinated by five cyanide ligands and one nitrosyl group (the nitrosyl group lies cis to the bridging cyanide group), while copper(II) is five-coordinated by two propane-1,2-diamine ligands and a bridging cyanide ligand in a distorted tetragonal pyramidal arrangement.

scholarly journals Crystal structure of β-Zn3(PO4)2

1967 ◽  
Vol 45 (20) ◽  
pp. 2303-2316 ◽  
Author(s):  
J. S. Stephens ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Basic Cation ◽  
Cation Coordination ◽  
Oxygen Atoms

β-Zn3(PO4)2 crystallizes in the monoclinic space group P 21/c with lattice parameters, a = 9.393(3) Å, b = 9.170(6) Å, c = 8.686(3) Å, β = 125.73(10)°, and Z = 4. The three independent cations are strongly ligated to 4, 5, and 5 oxygen atoms, with average Zn—O bond distances of 1.98 ± 0.09 Å, 2.10 ± 0.10 Å, and 2.08 ± 0.13 Å respectively. In addition there are two longer Zn—O distances of 2.51 Å and 2.55 Å in this structure. The PO4 groups exist as independent, nearly regular tetrahedra, with each oxygen atom ligated to two cations. Unlike the structures found for the α and γ phases of Zn3(PO4)2, which contain ribbons and sheets respectively as the basic cation coordination motif, the structure of β-Zn3(PO4)2 contains interconnected sheets.

Synthesis, Crystal Structure and Magnetic Properties of Novel Complex [μ-(NC)-Fe(CN)3(NO)-μ-(CN)-Cu(ept)]n·4nH2O (ept = N-(2-Aminoethyl)propane-1,3-diamine)

2001 ◽  
Vol 66 (10) ◽  
pp. 1490-1498 ◽  
Author(s):  
Zdeněk Smékal ◽  
Jiří Kameníček ◽  
Ingrid Svoboda ◽  
Albert Escuer
Keyword(s):  
Crystal Structure ◽  
Magnetic Measurement ◽  
Antiferromagnetic Interaction ◽  
Title Complex ◽  
The Novel ◽  
One Dimensional ◽  
X Ray ◽  
Magnetic Investigation ◽  
Novel Complex ◽  
Cyanide Ligands

The novel complex [μ-(NC)-Fe(CN)3(NO)-μ-(CN)-Cu(ept)]n·4nH2O (ept = N-(2-aminoethyl)- propane-1,3-diamine) was obtained by the reaction of Cu(ClO4)2·6H2O with N-(2-amino- ethyl)propane-1,3-diamine and Na2[Fe(CN)5NO]·2H2O in water. This compound was characterized by IR, UV-VIS and EPR spectroscopies and magnetic measurement. Single-crystal X-ray structure analysis revealed that the title complex has a one-dimensional polymeric structure containing hexacoordinate iron(II) with five cyanide ligands (two of them, in trans position, bridging) and one nitrosyl group, and pentacoordinate copper(II) with N-(2-aminoethyl)propane-1,3-diamine and two sites occupied by bridging cyanide ligands. Magnetic investigation revealed a very weak antiferromagnetic interaction between the copper atoms (superexchange interaction parameter J = -1.7(1) cm-1; H = -JSiSi+1) within the chain through the diamagnetic [Fe(CN)5NO]2- ions.

scholarly journals Crystal structure of the coordination polymer [FeIII2{PtII(CN)4}3]

2015 ◽  
Vol 71 (1) ◽  
pp. i1-i2
Author(s):  
Maksym Seredyuk ◽  
M. Carmen Muñoz ◽  
José A. Real ◽  
Turganbay S. Iskenderov
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Point Group ◽  
Three Dimensional ◽  
Title Complex ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Rotation Axes ◽  
Square Planar ◽  
Cyanide Ligands

The title complex, poly[dodeca-μ-cyanido-diiron(III)triplatinum(II)], [FeIII2{PtII(CN)4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN)4]2−anions (point group symmetry 2/m) bridging cationic [FeIIIPtII(CN)4]+∞layers extending in thebcplane. The FeIIatoms of the layers are located on inversion centres and exhibit an octahedral coordination sphere defined by six N atoms of cyanide ligands, while the PtIIatoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octahedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN)4]+∞layers corresponds to the lengtha/2 = 8.0070 (3) Å, and the separation between two neighbouring PtIIatoms of the bridging [PtII(CN)4]2−groups corresponds to the length of thecaxis [7.5720 (2) Å]. The structure is porous with accessible voids of 390 Å3per unit cell.

scholarly journals Crystal structure and thermal properties of a square-planar NiIIcomplex of cyanide and a tricyclic bis-amidine ligand formedin situunder solvothermal conditions

2013 ◽  
Vol 69 (6) ◽  
pp. 565-568 ◽  
Author(s):  
Monika Stolárová ◽  
Juraj Černák ◽  
Milagros Tomás ◽  
Larry R. Falvello
Keyword(s):  
Crystal Structure ◽  
Thermal Properties ◽  
Complex I ◽  
Structural Unit ◽  
Planar Geometry ◽  
Water Molecules ◽  
Two Dimensional ◽  
Square Planar ◽  
Cyanide Ligands ◽  
Solvothermal Conditions

The reaction ofN1,N1′-(ethane-1,2-diyl)bis(propane-1,3-diamine) (bapen), K2[Ni(CN)4]·H2O and dimethylformamide in the presence of Gd(NO3)3·6H2O under solvothermal conditions yielded yellow crystals of dicyanido(2,3,4,6,7,9,10,11-octahydropyrimido[2′,1′:3,4]pyrazino[1,2-a]pyrimidine)nickel(II) hemihydrate, [Ni(CN)2(C10H16N4)]·0.5H2O, (I), the crystal structure of which is composed of [Ni(CN)2(pdpm)] molecules (pdpm is 2,3,4,6,7,9,10,11-octahydropyrimido[2′,1′:3,4]pyrazino[1,2-a]pyrimidine) on general positions linked by O—H...N hydrogen bonds to water molecules located on twofold axes. This structural unit is further linked by nonclassical C—H...N interactions to form a warped two-dimensional net perpendicular to the unit-cellbaxis. The nets are stacked, with C—H...O contacts joining successive units. The NiIIcation is coordinated with square-planar geometry by a chelating pdpm ligand and two cyanide ligands in mutuallycispositions. Complex (I) is stable up to 360 K, at which point dehydration takes place; the ligands start to decompose at 558 K.

scholarly journals Crystal structure of 6-deoxy-α-L-psicofuranose

2015 ◽  
Vol 71 (12) ◽  
pp. o993-o994
Author(s):  
Akihide Yoshihara ◽  
Tomohiko Ishii ◽  
Tatsuya Kamakura ◽  
Hiroaki Taguchi ◽  
Kazuhiro Fukada
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Cell Volume ◽  
Title Compound ◽  
Room Temperature ◽  
Ring Structure ◽  
Compound C

The title compound, C6H12O5, was crystallized from an aqueous solution of 6-deoxy-L-psicose (6-deoxy-L-allulose, (3S,4S,5S)-1,3,4,5-tetrahydroxyhexan-2-one), and the molecule was confirmed as α-furanose with a3T4(orE4) conformation, which is a predominant tautomer in solution. This five-membered furanose ring structure is the second example in the field of the 6-deoxy-ketohexose family. The cell volume of the title compound [742.67 (7) Å3,Z= 4 at room temperature] is only 1.4% smaller than that of β-D-psicopyranose, C6H12O6(753.056 Å3,Z= 4 at room temperature).

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