scholarly journals Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate

IUCrData ◽  
2018 ◽  
Vol 4 (1) ◽  
Author(s):  
Martha Höhne ◽  
Bhaskar R. Aluri ◽  
Anke Spannenberg ◽  
Bernd H. Müller ◽  
Normen Peulecke ◽  
...  
Keyword(s):  
Diffraction Data ◽  
Title Compound ◽  
Complex Molecule ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Square Planar ◽  
Solvent Molecules

In the title compound, [PdCl2(C24H22N2P2)]·CH2Cl2, the palladium(II) atom is surrounded by a chelating P—N—P ligand Ph2P—N(NH2)—PPh2 containing a hydrazine entity and two chlorido ligands in a distorted square-planar coordination geometry. Beside the complex molecule, the asymmetric unit contains a co-crystallized dichloromethane molecule. The contributions of further disordered solvent molecules were removed from the diffraction data using the SQUEEZE [Spek (2015). Acta Cryst. C71, 9–18] procedure.

Bis(piperidinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S′)nickel(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2802-m2802 ◽  
Author(s):  
Yong Hou ◽  
Hongrong Zuo ◽  
Qian Huang ◽  
Chunlin Ni
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Compound C ◽  
Square Planar

The title compound, (C5H12N)2[Ni(C4N2S2)2], is a new [Ni(mnt)2]2− salt (mnt2− is 1,2-dicyanoethene-1,2-dithiolate) with piperidinium [(PIH)+] cations. The NiII ion lies on an inversion centre and the asymmetric unit contains a (PIH)+ cation and one half of the [Ni(mnt)2]2− anion. The NiII ion exhibits a square-planar coordination geometry. In the crystal structure, weak C—H...N, C—H...S and C—H...Ni hydrogen bonds are observed between the anions and the cations.

scholarly journals (2,2′-Bipyridine-κ2N,N′)dichloridopalladium(II) 1,4-dioxane hemisolvate

2014 ◽  
Vol 70 (6) ◽  
pp. m218-m218 ◽  
Author(s):  
Ricardo Alfredo Gutiérrez Márquez ◽  
Carmela Crisóstomo-Lucas ◽  
David Morales-Morales ◽  
Simón Hernández-Ortega
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Complex Molecule ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Square Planar ◽  
Chloride Ligands ◽  
Bipyridine Ligand

The asymmetric unit of the title compound, [PdCl2(C10H8N2)]·0.5C4H8O2, consists of one PdIIcomplex molecule and a half-molecule of 1,4-dioxane, the complete molecule being generated by inversion symmetry. The PdIIatom has an almost square-planar coordination formed by the 2,2′-bipyridine ligand and two chloride ligands. Two intramolecular C—H...Cl hydrogen bonds occur. In the crystal, the PdIIcomplex and 1,4-dioxane molecules are connected by C—H...O hydrogen bonds, forming a layer parallel to (10-1). Within the layer, weak π–π interactions [centroid–centroid distance = 3.817 (4) Å] are observed between the pyridine rings.

scholarly journals 2-Vinylpyridine–tris(pentafluorophenyl)borane hexane monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1261-o1261 ◽  
Author(s):  
Marcus Klahn ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Diffraction Data ◽  
Title Compound ◽  
Nmr Spectra ◽  
Acta Cryst ◽  
Restricted Rotation ◽  
Compound C ◽  
Stoichiometric Reaction ◽  
Solvent Molecules ◽  
Formed Adduct

The title compound, C7H7N·B(C6F5)3·C6H14, was obtained by the stoichiometric reaction of 2-vinylpyridine and tris(pentafluorophenyl)borane in toluene. The formed adduct exhibits a restricted rotation along the B—N bond resulting in an asymmetry, which can be also observed in the19F NMR spectra. The B—N distance is equivalent to the distances found for 2-methylpyridine and 2-ethylpyridine B(C6F5)3adducts. For the final refinement, the contributions of disordered solvent molecules were removed from the diffraction data with SQUEEZE inPLATON[van der Sluis & Spek (1990).Acta Cryst.A46, 194–201; Spek (2009).Acta Cryst.D65, 148–155].

scholarly journals Crystal structure of triaqua(2,6-dimethylpyrazine-κN4)bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate

2015 ◽  
Vol 71 (12) ◽  
pp. m223-m224 ◽  
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Dimensional Network ◽  
Entire Complex ◽  
Solvent Molecules

In the crystal structure of the title complex, [Mn(NCS)2(C6H8N2)(H2O)3]·2C6H8N2, the MnIIcation is coordinated by two terminallyN-bonded thiocyanate anions, three water molecules and one 2,6-dimethylpyrazine ligand within a slightly distorted N3O3octahedral geometry; the entire complex molecule is generated by the application of a twofold rotation axis. The asymmetric unit also contains an uncoordinating 2,5-dimethylpyrazine ligand in a general position. Obviously, the coordination to the 2,6-dimethylpyrazine ligand is preferred because coordination to the 2,5-dimethylpyrazine is hindered due to the bulky methyl group proximate to the N atom. The discrete complexes are linked by water-O—H...N(2,6-dimethylpyzazine/2,5-dimethylpyzazine) hydrogen bonding, forming a three-dimensional network. In the crystal, molecules are arranged in a way that cavities are formed in which unspecified, disordered solvent molecules reside. These were modelled employing the SQUEEZE routine inPLATON[Spek (2015).Acta Cryst. C71, 9–18]. The composition of the unit cell does not take into account the presence of the unspecified solvent.

scholarly journals (4′-Phenyl-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)bis(thiocyanato-κN)zinc(II) unknown solvate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
An-ran Wang ◽  
Cong Wang ◽  
Sheng-Li Li
Keyword(s):  
Electron Density ◽  
Title Compound ◽  
Complex Molecule ◽  
Small Region ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Complex Molecules ◽  
Π Interactions ◽  
Independent Molecules

The title compound, [Zn(NCS)2(C21H15N3)], crystallizes with three independent complex molecules in the asymmetric unit. In each complex molecule, the ZnIIatom is coordinated by three N atoms of a 4′-phenyl-2,2′:6′,2′′-terpyridine ligand, and by the N atoms of two NCS−anions. The ZnIIatoms are therefore five-coordinate, ZnN5, with distorted square-pyramidal geometries. In the crystal, the three independent molecules are linked by a series of offset π–π interactions [intercentroid distances vary between 3.680 (5) and 3.791 (5) Å], forming columns along thea-axis direction. The columns are linkedviaC—H...S interactions, forming a fence-like arrangement parallel to theabplane. A small region of disordered electron density was corrected for using the SQUEEZE routine inPLATON[Spek (2015).Acta Cryst.C71, 9–18], but the formula mass and unit-cell characteristics were not taken into account during the refinement.

scholarly journals {2-[Bis(2,4-di-tert-butylphenoxy)phosphanyloxy-κP]-3,5-di-tert-butylphenyl-κC1}{3,3′-di-tert-butyl-5,5′-dimethoxy-2,2′-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κP]biphenyl}rhodium(I) toluene-d82.7-solvate

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Detlef Selent ◽  
Anke Spannenberg ◽  
Armin Börner
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Tert Butyl ◽  
Butyl Group ◽  
Square Planar ◽  
Crystal Complex ◽  
Solvent Molecules

The molecule of the title compound, [Rh(C42H62O3P)(C74H68O4P2]·2.7C7D8, consists of two phospharhodacyclic substructures sharing the Rh atom, which are formed by coordination/ortho-metallation of a triaryl phosphite, and by the coordination of a rigid bisphosphite, respectively. The metal displays a tetrahedrally distorted square-planar coordination geometry. Atert-butyl group shows rotational disorder over two positions with refined site occupancy of 0.561 (3):0.439 (3). Two partial-occupancy toluene solvent molecules are disordered over two orientations with site occupancies of 0.5:0.3 and 0.5:0.4, respectively. Intramolecular C—H...O hydrogen bonds are observed. In the crystal, complex molecules and toluene solvent molecules pack as alternating layers parallel to theacplane.

scholarly journals Tetraamminepalladium(II) dichloride ammonia tetrasolvate

2014 ◽  
Vol 70 (7) ◽  
pp. i32-i32 ◽  
Author(s):  
Tobias Grassl ◽  
Nikolaus Korber
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Liquid Ammonia ◽  
Palladium Complex ◽  
Planar Geometry ◽  
Acta Cryst ◽  
Square Planar ◽  
Solvent Molecules

The title compound, [Pd(NH3)4]Cl2·4NH3, was crystallized in liquid ammonia from the salt Pd(en)Cl2(en is ethylenediamine) and is isotypic with [Pt(NH3)4]Cl2·4NH3[Grassl & Korber (2014).Acta Cryst.E70, i31]. The Pd2+cation is coordinated by four ammonia molecules, exhibiting a square-planar geometry. The chloride anions are surrounded by nine ammonia molecules. These are either bound in the palladium complex or solvent molecules. The packing of the ammonia solvent molecules enables the formation of an extended network of N—H...N and N—H...Cl interactions with nearly ideal hydrogen-bonding geometry.

scholarly journals Tetraammineplatinum(II) dichloride ammonia tetrasolvate

2014 ◽  
Vol 70 (7) ◽  
pp. i31-i31 ◽  
Author(s):  
Tobias Grassl ◽  
Nikolaus Korber
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Liquid Ammonia ◽  
Platinum Complex ◽  
Acta Cryst ◽  
Planar Complex ◽  
Square Planar ◽  
Solvent Molecules

The title compound, [Pt(NH3)4]Cl2·4NH3, was crystallized in liquid ammonia from the salt PtCl2. The platinum cation is coordinated by four ammonia molecules, forming a square-planar complex. The chloride anions are surrounded by nine ammonia molecules, either bound within the platinum complex or solvent molecules. The solvent ammonia molecules are packed in such a way that an extended network of N—H...N and N—H...Cl hydrogen bonds is formed. The structure is isotypic with [Pd(NH3)4]Cl2·4NH3[Grassl & Korber (2014).Acta Cryst.E70, i32].

scholarly journals Crystal structure of bis(5-bromo-1,10-phenanthroline-κ2 N,N′)bis[dihydrobis(pyrazol-1-yl)borato-κ2 N 2,N 2′]iron(II) toluene disolvate

2020 ◽  
Vol 76 (8) ◽  
pp. 1398-1402
Author(s):  
Sascha Ossinger ◽  
Christian Näther ◽  
Felix Tuczek
Keyword(s):  
Spin Crossover ◽  
Magnetic Measurements ◽  
Complex Molecule ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Complex Molecules ◽  
Borate Complexes ◽  
Solvent Molecules ◽  
Phenanthroline Ligands

The structure determination of the title compound was undertaken as part of a project on the modification and synthesis of new spin-crossover (SCO) compounds based on octahedral FeII bis(pyrazolyl)borate complexes. In the course of these investigations, the compound [Fe(C6H8BN4)2(C12H7BrN2)] was synthesized, for which magnetic measurements revealed an incomplete spin-crossover behaviour. Crystallization of this compound from toluene led to the formation of crystals of the toluene disolvate, [Fe(C6H8N4B)2(C12H7N2Br)]·2C7H8. Its asymmetric unit comprises two discrete metal complex molecules and two toluene solvent molecules. One of the latter is severely disordered and its contribution to the diffracted intensities was removed using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18]. In each complex molecule, the FeII cation is coordinated by the two N atoms of a 5-bromo-1,10-phenanthroline ligand and by two pairs of N atoms of chelating dihydrobis(pyrazol-1-yl)borate ligands in the form of a slightly distorted octahedron. The discrete complexes are arranged in columns along the a-axis direction with the toluene solvate molecules located between the columns. The 5-bromo-1,10-phenanthroline ligands of neighbouring columns are approximately parallel and are slightly shifted relative to each other, indicating π–π interactions.

scholarly journals (η2,η2-Cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ2N,P]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
Siping Wei ◽  
Saskia Möller ◽  
Detlef Heller ◽  
Hans-Joachim Drexler
Keyword(s):  
Title Compound ◽  
Terminal Alkynes ◽  
Crystal Data ◽  
Chemical Formula ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Acta Cryst ◽  
Square Planar ◽  
Enol Esters ◽  
The Given

The title compound, [Rh(C8H12)(C18H16NP)]BF4has been prepared as a precatalyst for applications in rhodium-catalysed additions of carbocyclic acids to terminal alkynes leading toanti-MarkovnikovZ-enol esters. Here the triclinic pseudopolymorph of the title compound is presented. In contrast to the earlier reported pseudopolymorph (orthorhombic space group) [Weiet al.(2013).Chem. Eur. J.19, 12067–12076], the triclinic polymorph contains half a molecule of dichloromethane as solvent in the asymmetric unit. The rhodium(I) atom exhibits a square-planar coordination. The estimated diffraction contribution of the disordered solvent (a half molecule of dichloroethane per asymmetric unit) was subtracted from the observed diffraction data using the SQUEEZE [Spek (2015).Acta Cryst.C71, 9–16] routine inPLATON. The given chemical formula and other crystal data do not take the solvent into account.

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