Allan White and Solvento/Aqua Complexes: ScIII Solvation

2020 ◽  
Vol 73 (6) ◽  
pp. 468
Author(s):  
Eric J. Chan ◽  
Simon A. Cotton ◽  
Jack M. Harrowfield ◽  
Brian W. Skelton ◽  
Alexandre N. Sobolev ◽  
...  
Keyword(s):  
Single Crystal ◽  
Coordination Number ◽  
Coordination Sphere ◽  
Donor Ligands ◽  
Aprotic Solvents ◽  
Aqua Complexes ◽  
X Ray ◽  
Oxygen Donor ◽  
Weakly Coordinating ◽  
Dipolar Aprotic Solvents

Addition of various oxygen-donor ligands (L, all dipolar, aprotic solvents), to a solution of hydrated scandium picrate in weakly coordinating solvents (S), has yielded several crystalline adducts of the form Sc(pic)3(L)m(·nS) in which all ligands L are coordinated, subsequently characterised by a series of single crystal X-ray studies. For L=dmso, m=3 and the picrate anions are all bound as phenoxide-O donor units, while for nmp, dma, tmp, and hmpa, m=2 and one of the bound picrates becomes bidentate through phenoxide- and nitro-O donation. For L=ompa, m=2 and two picrate ligands are bound through phenoxide-O while one is displaced from the primary coordination sphere. All complexes contain six-coordinate ScIII, confirming that this coordination number is a consequence of ligand bulk.

scholarly journals Intermetallic REPtZn Compounds with TiNiSi-type Structure

2011 ◽  
Vol 66 (7) ◽  
pp. 671-676 ◽  
Author(s):  
Trinath Mishra ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Coordination Number ◽  
High Frequency ◽  
Three Dimensional ◽  
Type Structure ◽  
Rare Earth Compounds ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray

The equiatomic rare earth compounds REPtZn (RE = Y, Pr, Nd, Gd-Tm) were synthesized from the elements in sealed tantalum tubes by high-frequency melting at 1500 K followed by annealing at 1120 K and quenching. The samples were characterized by powder X-ray diffraction. The structures of four crystals were refined from single-crystal diffractometer data: TiNiSi type, Pnma, a = 707.1(1), b = 430.0(1), c = 812.4(1) pm, wR2 = 0.066, 602 F2, 21 variables for PrPt1.056Zn0.944; a = 695.2(1), b = 419.9(1), c = 804.8(1) pm, wR2 = 0.041, 522 F2, 21 variables for GdPt0.941Zn1.059; a = 688.2(1), b = 408.1(1), c = 812.5(1) pm, wR2 = 0.041, 497 F2, 22 variables for HoPt1.055Zn0.945; a = 686.9(1), b = 407.8(1), c = 810.4(1) pm, wR2 = 0.061, 779 F2, 20 variables for ErPtZn. The single-crystal data indicate small homogeneity ranges REPt1±xZn1±x. The platinum and zinc atoms build up three-dimensional [PtZn] networks (265 - 269 pm Pt-Zn in ErPtZn) in which the erbium atoms fill cages with coordination number 16 (6 Pt + 6 Zn + 4 Er). Bonding of the erbium atoms to the [PtZn] network proceeds via shorter RE-Pt distances, i. e. 288 - 293 pm in ErPtZn.

Single-crystal Data of Ternary Germanides RE2Nb3Ge4 (RE = Sc, Y, Gd–Er, Lu) and Sc2Ta3Ge4 with Ordered Sm5Ge4-type Structure

2013 ◽  
Vol 68 (5-6) ◽  
pp. 625-634 ◽  
Author(s):  
Bastian Reker ◽  
Samir F. Matar ◽  
Ute Ch. Rodewald ◽  
Rolf-Dieter Hoffmann ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Coordination Number ◽  
Electronic Structure Calculations ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Structure Calculations ◽  
The Rare Earth

Small single crystals of the Sm5Ge4-type (space group Pnma) germanides RE2Nb3Ge4 (RE = Sc, Y, Gd-Er, Lu) and Sc2Ta3Ge4 were synthesized by arc-melting of the respective elements. The samples were characterized by powder and single-crystal X-ray diffraction. In all structures, except for Sc2.04Nb2.96Ge4 and Sc2.19Ta2.81Ge4, the rare earth and niobium atoms show full ordering on the three crystallographically independent samarium sites of the Sm5Ge4 type. Two sites with coordination number 6 are occupied by niobium, while the slightly larger site with coordination number 7 is filled with the rare earth element. Small homogeneity ranges with RE=Nb and RE=Ta mixing can be expected for all compounds. The ordered substitution of two rare earth sites by niobium or tantalum has drastic effects on the coordination number and chemical bonding. This was studied for the pair Y5Ge4/Y2Nb3Ge4. Electronic structure calculations show larger charge transfer from yttrium to germanium for Y5Ge4, contrary to Y2Nb3Ge4 which shows stronger covalent bonding due to the presence of Nb replacing Y at two sites

Structure and Stereochemistry of Adducts of Tris(dipivaloylmethanato)europium(III), Eu(dpm)3, with Some Dipolar Aprotic Unidentate O-Donors

2020 ◽  
Vol 73 (6) ◽  
pp. 455
Author(s):  
Eric J. Chan ◽  
Jack M. Harrowfield ◽  
Brian W. Skelton ◽  
Alexandre N. Sobolev ◽  
Allan H. White
Keyword(s):  
Single Crystal ◽  
Dimethyl Sulfoxide ◽  
The Other ◽  
Asymmetric Unit ◽  
X Ray ◽  
Metal Atoms ◽  
Oxygen Donor ◽  
Trigonal Prismatic

Single crystal X-ray structural characterisations are reported for adducts of the form [(L-O)Eu(O,O′-dpm)3] obtained by the crystallisation of tris(dipivaloylmethanato)europium(iii) (dpm=[HC(C(tBu).CO)2]−) from an array of dipolar aprotic oxygen-donor solvents L (L=N-methylpyrrolidinone (nmp), trimethylphosphate, (MeO)3PO, (tmp), hexamethylphosphoramide (hmpa), dimethylacetamide (dma), dimethyl sulfoxide (dmso), and the bidentate octamethylpyrophosphoramide (ompa). In all adducts, the resulting arrays contain seven-coordinate metal atoms, which adopt two different isomeric forms of the mono-capped trigonal prismatic stereochemistry, the L=dma and dmso adducts corresponding to one type, nmp and tmp the other. The adduct formed with ompa behaves as a pair of discrete metal environments bridged by the O-ompa-O′ ligand, thus; [(dpm-O,O′)3Eu(O-ompa-O′)Eu(O,O′-dpm)3], and is found in two forms, one in which both Eu environments is of the tmp type, the other of the dmso/dma type. In the hmpa adduct, the asymmetric unit of the structure is a disordered composite of both types. In none of the adducts is there any further solvation beyond coordination of a single L.

Structure and Magnetic Properties of GdPt2In and GdPt2Sn

2009 ◽  
Vol 64 (2) ◽  
pp. 170-174 ◽  
Author(s):  
Birgit Heying ◽  
Ute Ch. Rodewald ◽  
Wilfried Hermes ◽  
Rainer Pöttgen
Keyword(s):  
Magnetic Properties ◽  
Magnetic Susceptibility ◽  
Single Crystal ◽  
Intermetallic Compounds ◽  
Coordination Number ◽  
Magnetic Moment ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Experimental Magnetic Moment

The platinum-rich intermetallic compounds GdPt2In and GdPt2Sn were synthesized by arc-melting of the elements and subsequent annealing. The structures were refined from single crystal X-ray diffractometer data: ZrPt2Al type, space group P63/mmc, a = 455.1(1), c = 899.3(3) pm, wR2 = 0.0361, 166 F2 values, 9 variables for GdPt2In, and a = 453.2(1), c = 906.5(2) pm, wR2 = 0.0915, 166 F2 values, 9 variables for GdPt2Sn. The platinum and indium (tin) atoms build up threedimensional [Pt2In] and [Pt2Sn] networks with short Pt-In (Pt-Sn) distances and Pt2 dumb-bells (290 and 297 pm in GdPt2In and GdPt2Sn). The gadolinium atoms have coordination number 14 with 8 Pt and 6 In (Sn) neighbors. Magnetic susceptibility measurements on GdPt2In show Curie-Weiss behavior with an experimental magnetic moment of 8.06(2) μB/Gd atom. GdPt2In orders ferromagnetically at 27.7(2) K

scholarly journals Ba2ZnGe2S6O: Ein neues Oxidsulfid mit Tetraedergerüststruktur/On Ba2ZnGe2S6O. A New Oxide Sulfide with Tetrahedral Framework Structure

1980 ◽  
Vol 35 (6) ◽  
pp. 672-675 ◽  
Author(s):  
Chr. L. Teske
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Coordination Sphere ◽  
Framework Structure ◽  
Tetrahedral Framework ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
First Time ◽  
Ray Methods

Abstract Ba2ZnGe2S6O was prepared for the first time and the crystal structure determined by using single crystal X-ray methods. The space group is D32d-P4̄21m, tetragonal (No. 113). Lattice constants: a = 963.59 ± 0.22; c = 645.06 ± 0.25 pm. The tetrahedral framework structure is described and discussed. Zn is linked only to sulfur. The oxygen belongs to the coordination sphere of Ge and Ba.

Iron(II) and Nickel(II) Complexes of 2,6-Di(Thiazol-4-Yl)Pyridine and Related Ligands: Magnetic, Spectral and Structural Studies

1986 ◽  
Vol 39 (2) ◽  
pp. 209 ◽  
Author(s):  
AT Baker ◽  
HA Goodwin
Keyword(s):  
Solid State ◽  
Metal Complexes ◽  
Single Crystal ◽  
Coordination Sphere ◽  
Structural Parameters ◽  
Complex Cation ◽  
Magnetic Behaviour ◽  
Structural Studies ◽  
Thermally Induced ◽  
X Ray

2,6-Di(thiazol-4-yl)pyridine (1a), 2,6-di(2-methylthiazol-4-yl)pyridine (1b) and 2,6-di(2-phenylthiazol-4-yl)pyridine (1c) have been prepared by Hantzsch syntheses from 2,6-di(ω- bromoacetyl )pyridine and the appropriate thioamide. Bis ( ligand ) iron(II) and nickel(II) complexes of (1a) and (1b) have been prepared but no metal complexes of (1c) were isolated. The bis ( ligand ) iron(II) complexes of (1a) are low-spin whereas those of (1b) undergo thermally induced spin-transitions, both in the solid state and solution. The field strengths of the ligands , determined from the spectra of their nickel(II) complexes, correlate well with the observed magnetic behaviour of their iron(II) complexes. The structure of [FeL2][ClO4]2.H2O, L = (1a), was determined by single-crystal X-ray diffractometry . The complex cation has the meridional configuration with the ligand functioning as an approximately planar tridentate. The structural parameters relating to the Fe-N6 coordination sphere are remarkably similar to those found for bis (2,2′:6′, 2′- terpyridine )iron(II) bis ( perchlorate ) monohydrate.

Crystal structure of Bis(O-ethylxanthato)bis(quinolin-8-olato)tin(IV)

1978 ◽  
Vol 31 (12) ◽  
pp. 2641 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
G Winter
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Coordination Sphere ◽  
Title Compound ◽  
Point Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxygen Atoms

The crystal structure of the title compound, [Sn(S2COEt)2(C9H6NO)2], has been determined by single-crystal X-ray diffraction at 298 K and refined by least squares to a residual of 0.049 for 1771 ?observed? reflections. Crystals are monoclinic, P21/n, a 12.21(1), b 24.33(1), c 9.159(7) Ǻ, β 102.12(6)°, Z 4. The environment of the tin atom is six- coordinate: the two coordinating sulfur atoms of the monodentate xanthate ligands lie cis in the coordination sphere [Sn-S, 2.484(4), 2.510(4) Ǻ], and one in turn trans to the two oxine nitrogen atoms [Sn- N, 2.260(8), 2.237(10) Ǻ]. The remaining positions, trans to each other, are occupied by the oxine oxygen atoms [Sn-O, 2.047(7), 2.065(8) Ǻ]. O-Sn-O is 157.0(3)°. The overall point symmetry of the molecule is a good approximation to 2.

Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II)

2014 ◽  
Vol 70 (4) ◽  
pp. 761-767 ◽  
Author(s):  
Sandeep Kumar ◽  
Ruchi Khajuria ◽  
Amanpreet Kaur Jassal ◽  
Geeta Hundal ◽  
Maninder S. Hundal ◽  
...  
Keyword(s):  
Single Crystal ◽  
Chelate Ring ◽  
Donor Ligands ◽  
Monoclinic Space Group ◽  
Bidentate Ligands ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray

Donor-stabilized addition complexes of nickel(II) with disubstituted diphenyldithiophosphates, [{(ArO)2PS2}2NiL2] {Ar = 2,4-(CH3)2C6H3[(1), (5)], 2,5-(CH3)2C6H3[(2), (6)], 3,4-(CH3)2C6H3[(3), (7)] and 3,5-(CH3)2C6H3[(4), (8)];L= C5H5N [(1)–(4)] and C7H9N [(5)–(8)]}, were successfully isolated and characterized by elemental analysis, magnetic moment, IR spectroscopy and single-crystal X-ray analysis. Compound (4) crystallizes in the monoclinic space groupP21/nwhereas compounds (7) and (8) crystallize in the triclinic space group P\bar 1. The single-crystal X-ray diffraction analysis of (4), (7) and (8) reveals a six-coordinated octahedral geometry for the NiS4N2chromophore. Two diphenyldithiophosphate ions act as bidentate ligands with their S atoms coordinated to the Ni centre. Each of them forms a four-membered chelate ring in the equatorial plane. The N atoms from two donor ligands are axially coordinated to the Ni atom.

Sign in / Sign up

Export Citation Format

Share Document