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(Butane-1,4-di-yl)(trimethyl-phosphane-?P)[tris-(3,5-dimethyl-pyrazol-1-yl-?N (2))hydro-borato]iridium(III).

ABSTRACT: In the mononuclear title iridium(III) complex, [Ir(C4H8)(C15H22BN6)(C3H9P)], which is based on the [tris-(3,5-dimethyl-pyrazol-1-yl)hydro-borato]iridium moiety, Ir[Tp(Me2)], the Ir(III) atom is coordinated by a chelating butane-1,4-diyl fragment and a trimethyl-phosphane ligand in a modestly distorted octa-hedral coordination environment formed by three facial N, two C and one P atom. The iridium-butane-1,4-diyl ring has an envelope conformation. This ring is disordered because alternately the second or the third C atom of the butane-1,4-diyl fragment function as an envelope flap atom (the occupancy ratio is 1:1). In the crystal, mol-ecules are organized into densely packed columns extending along [101]. Coherence between the mol-ecules is essentially based on van der Waals inter-actions.

SUBMITTER: Gomez M

PROVIDER: S-EPMC3647789 | biostudies-literature |

REPOSITORIES: biostudies-literature

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[Tris(3,5-diphenyl-pyrazol-yl)hydro-borato]nickel(II) bromide.

Project description:In the title tris-(pyrazol-yl)borate (Tp(Ph2)) complex, [NiBr(C(45)H(34)BN(6))], the Ni, Br and B atoms lie on a crystallographic threefold axis and a distorted NiN(3)Br tetra-hedral geometry arises for the metal ion. In the crystal, C-H?(C=C) and C-H?? inter-actions help to establish the polar crystal packing.

| S-EPMC2969450 | biostudies-literature

Chlorido[1-(2-oxidophen-yl)ethyl-idene][tris-(3,5-dimethyl-pyrazol-1-yl)hydro-borato]iridium(III) chloro-form monosolvate.

Project description:In the title compound, [Ir(C15H22BN6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octa-hedral geometry by three facial N atoms, one C atom, one O atom and one Cl atom. The Ir=Ccarbene bond is strong and short and exerts a notable effect on the trans-Ir-N bond, which is about 0.10?Å longer than the two other Ir-N bonds. The chloro-form solvent mol-ecule is anchored via a weak C-H?Cl hydrogen bond to the Cl atom of the Ir complex mol-ecule. In the crystal, the constituents adopt a layer-like arrangement parallel to (010) and are held together by weak inter-molecular C-H?Cl hydrogen bonds, as well as weak Cl?Cl [3.498?(2)?Å] and Cl?? [3.360?(4)?Å] inter-actions. A weak intra-molecular C-H?O hydrogen bond is also observed.

| S-EPMC3629499 | biostudies-literature

Dichlorido(3,5-dimethyl-1H-pyrazole-κN)[hydro-tris-(3,5-dimethyl-1H-pyrazol-1-yl-κN)borato]chromium(III) tetra-hydro-furan mono-solvate.

Project description:In the title compound, [Cr(C(15)H(22)BN(6))Cl(2)(C(5)H(8)N(2))]·C(4)H(8)O, the Cr(III) atom is coordinated by three N atoms from the hydro-tris-(3,5-dimethyl-pyrazol-1-yl)borate (Tp*) ligand, one 3,5-dimethyl-pyrazole (Dmpy) N atom and two Cl atoms in a distorted octa-hedral coordination geometry. Two N atoms occupy the axial sites, and the two Cl atoms and other two N atoms from Tp* lie in the equatorial plane. In the crystal, the complex mol-ecules and tetra-hydro-furan solvent mol-ecules are connected via inter-molecular N-H⋯O and C-H⋯O inter-actions.

| S-EPMC3051926 | biostudies-literature

(4-tert-Butyl-pyridine)-chlorido[hydro-tris-(3,5-dimethyl-pyrazol-1-yl)borato]nitro-sylmolybdenum(I) dichloro-methane monosolvate.

Project description:In the title compound, [Mo(C(15)H(22)BN(6))Cl(NO)(C(9)H(13)N)]·CH(2)Cl(2), the Mo(I) atom adopts a distorted MoClN(5) octa-hedral geometry with the hydro-tris-(3,5-dimethyl-pyrazol-yl)borate anion in an N,N',N''-tridentate tripodal (facial) coordination mode. A 4-tert-butyl-pyrine ligand, chloride anion and a nitrosyl cation complement the coodination of the Mo(I) atom and an intra-molecular C-H?Cl hydrogen bond helps to stabilize the configuration of the complex mol-ecule. The packing is stabilized by an inter-molecular C-H?Cl hydrogen bond involving the complex mol-ecule and the CH(2)Cl(2) solvent mol-ecule.

| S-EPMC3011577 | biostudies-literature

(Di-2-pyridyl-amine-κN,N')[hydro-tris-(3,5-diphenyl-pyrazol-1-yl-κN)borato]nickel(II) bromide dichloro-methane monosolvate.

Project description:In the title compound, [Ni(C(45)H(34)BN(6))(C(10)H(9)N(3))]Br·CH(2)Cl(2), the Ni(II) atom is five-coordinated by the tridentate hydro-tris-(3,5-diphenyl-pyrazol-yl)borate ligand and a bidentate di-2-pyridyl-amine ligand in a distorted square-pyramidal geometry. In the crystal, inter-molecular N-H⋯Br and C-H⋯Br hydrogen bonds link the Ni complex cations and the Br(-) ions, forming a chain along the c axis.

| S-EPMC3099946 | biostudies-literature

A tetra-gonal polymorph of bis-[hydro-tris-(pyrazol-1-yl)borato]iron(II).

Project description:The title compound, [Fe(C(9)H(10)BN(6))(2)], is a polymorph of a compound reported previously [Oliver et al. (1980 ?). Inorg. Chem.19, 165-168]. In the previous report, the compound crystallized in the monoclinic space group P2(1)/c (Z = 4), whereas the crystal symmetry of the compound reported here is tetra-gonal (P4(2)/ncm, Z = 4). The mol-ecular structure is comprised of two hydro-tris-(1-pyrazol-yl)borate ligands (Tp(-)) and a central Fe(II) ion, which is coordinated by six pyrazole N atoms from two two Tp(-) ligands, yielding a distorted bipyramidal FeN(6) geometry. The complete molecule exhibits symmetry 2/m.

| S-EPMC3212124 | biostudies-literature

Crystal structure of bis-{(3,5-di-methyl-pyrazol-1-yl)di-hydro-[3-(pyridin-2-yl)pyrazol-1-yl]-borato}iron(II).

Project description:The structure determination of [Fe(C13H15BN5)2] was undertaken as part of a project on the modification of the recently published spin-crossover (SCO) complex [Fe{H2B(pz)(pypz)}2] (pz = pyrazole, pypz = pyridyl-pyrazole). To this end, a new ligand was synthesized in which two additional methyl groups are present. Its reaction with iron tri-fluoro-methane-sulfonate led to a pure sample of the title compound, as proven by X-ray powder diffraction. The asymmetric unit consists of one complex mol-ecule in a general position. The FeII atom is coordinated by two tridentate N-binding {H2B(3,5-(CH3)2-pz)(pypz)}- ligands. The Fe-N bond lengths range between 2.1222?(13) and 2.3255?(15)?Å, compatible with FeII in the high-spin state, which was also confirmed by magnetic measurements. Other than a very weak C-H?N non-classical hydrogen bond linking individual mol-ecules into rows extending parallel to [010], there are no remarkable inter-molecular inter-actions.

| S-EPMC7405558 | biostudies-literature

Dicarbonyl-dichloridobis(trimethyl-phosphane)iron(II)-carbonyl-dichlorido-tris(trimethyl-phosphane)iron(II)-tetra-hydro-furan (1/1/2).

Project description:The asymmetric unit of the title crystal, [FeCl(2)(C(3)H(9)P)(3)(CO)]·[FeCl(2)(C(3)H(9)P)(2)(CO)(2)]·2C(4)H(8)O, contains half mol-ecules of the two closely related Fe(II) complexes lying on mirror planes and a tetra-hydro-furan solvent mol-ecule, one C atom of which is disordered over two sets of sites with site occupancy factors 0.633 (9) and 0.367 (9). In both Fe(II) complex mol-ecules, a distorted octa-hedral coordination geometry has been observed around the Fe atoms. Weak intermolecular C-H⋯O inter-actions are observed in the crystal structure.

| S-EPMC3099925 | biostudies-literature

Bis[bis-(3,5-dimethyl-1H-pyrazol-1-yl)-borato]cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(10)H(16)BN(4))(2)], comprises one unit of the complex. The geometry around the Co(II) ion is a distorted tetra-hedron. The dihedral angles between the pyrazole rings in the two ligands are 47.19 (15) and 47.20 (16)°, while that between the coordination planes is 79.77 (7)°.

| S-EPMC3151970 | biostudies-literature

Bis(4-cyano-phenolato)[hydro-tris-(3,5-dimethyl-pyrazol-yl)borato]nitro-syl-molybdenum(II)-4-hydroxy-benzonitrile-dichloro-methane (1/1/1).

Project description:In the title compound, [Mo(C(15)H(22)BN(6))(C(7)H(4)NO)(2)(NO)]·C(7)H(5)NO·CH(2)Cl(2), the central Mo(II) atom adopts a distorted cis-MoO(2)N(4) octa-hedral geometry with the hydro-tris-(3,5-dimethyl-pyrazolylborate) anion attached to the metal in an N,N',N''-tridentate tripodal coordination mode. Two O-bonded 4-cyano-phenolate anions and a nitrosyl cation complete the coodination of the Mo(II) atom. Two intra-molecular C-H?O and one C-H?N hydrogen bonds help to establish the configuration of the complex mol-ecule. The crystal structure is stabilized by inter-molecular C-H?N and C-H?O hydrogen bonds.

| S-EPMC3011797 | biostudies-other

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