scholarly journals Neue mehrkernige Pd-Komplexe mit S, Se und PPh3 als Liganden. Die Kristallstrukturen von [Pd5Se4Cl2(PPh3)6], [Pd4NiS4Cl2(PPh3)6], [Pd5Se5(PPh3)5], [Pd6Se4Cl4(PPh3)6], [Pd7Se6(SeH)Cl(PPh3)7], [Pd8Se8(PPh3)8] und [Pd8Se8Cl(PPh3)8] + [CpCrCl3]- / New Multinuclear Pd Complexes with S, Se and PPh3 as Ligands. The Crystal Structures of [Pd5Se4Cl2(PPh3)6], [Pd4NiS4Cl2(PPh3)6], [Pd5Se5(PPh3)5], [Pd6Se4Cl4(PPh3)6], [Pd7Se6(SeH)Cl(PPh3)7], [Pd8Se8(PPh3)8] and [Pd8Se8Cl(PPh3)8]+[CpCrCl3]-

1991 ◽  
Vol 46 (10) ◽  
pp. 1384-1394 ◽  
Author(s):  
Dieter Fenske ◽  
Holm Fleischer ◽  
Harald Krautscheid ◽  
Jörg Magull ◽  
Christopher Oliver ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Molecular Structures ◽  
Starting Material ◽  
Pd Clusters ◽  
Pd Complexes ◽  
Heterometal Cluster

[PdCl2(PPh3)2] reacts with Se(SiMe3)2 to form a mixture of multinuclear Pd complexes, [Pd3Se2(SeSiMe3)2(PPh3)4] (1), [Pd5Se5(PPh3)5] (2) and [Pd8Se8(PPh3)8] (3). 1 can be used as starting material for the synthesis of further Pd clusters. Reactions of 1 with [CpCrCl2(THF)], [PdCl2(PPh3)2] and [NiCl2(PPh3)2] lead to the formation of [Pd6Se4Cl4(PPh3)6] (4), [Pd8Se8Cl(PPh3)8]+[CpCrCl3]- (5), [Pd5Se4Cl2(PPh3)6] (6) and [Pd7Se6(SeH)Cl(PPh3)7] (7). The complexes [Pd6Se4(SeH)2Cl2(PPh3)6] and [Pd6Se4(SeH)4(PPh3)6] have structures similar to 4, and are formed by reaction of [PdCl2(NBD)] or [PdCl(COD)]2(BF4)2 with PPh3 and Se(SiMe3)2.Reaction of [(C3H5)PdCl]2 with [NiCl2(PPh3)2] and S(SiMe3)2 leads to the formation of the heterometal cluster [Pd4NiS4Cl2(PPh3)6] (8).The molecular structures of 2-8 show quite clearly that these compounds may be considered as intermediates on the route towards multinuclear Pd complexes.

Novel Synthetic Routes to s-Block Metal 2,5-Diphenylphospholides and Crystal Structures of the Bis(tetrahydrofuran) Complexes of the Potassium, Calcium, and Strontium Derivatives

2009 ◽  
Vol 64 (11-12) ◽  
pp. 1360-1368 ◽  
Author(s):  
Katja Wimmer ◽  
Christin Birg ◽  
Robert Kretschmer ◽  
Tareq M.A. Al-Shboul ◽  
Helmar Görls ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Chain Structure ◽  
Molecular Structures ◽  
Metathesis Reaction ◽  
Sandwich Complex ◽  
Coordination Site ◽  
Metal Atoms ◽  
Synthetic Routes ◽  
A Chain

The reduction of 1,4-diphenyl-1,4-bis(diphenylphosphanyl)buta-1,3-diene (1) (1,4-diphenyl- NUPHOS) with potassium in THF yields bis(THF)potassium 2,5-diphenylphospholide (2) which crystallizes with a chain structure. The metathesis reaction of 2 with the iodides of calcium, strontium, and barium leads to the formation of [bis(THF)calcium bis(2,5-diphenylphospholide)] (3), [bis(THF)strontium bis(2,5-diphenylphospholide)] (4), and [bis(THF)barium bis(2,5-diphenylphospholide)] (5). The reaction of M{P(H)SiiPr3}2 with diphenylbutadiyne in THF also leads to the formation of the 2,5-diphenylphospholides of calcium (3), strontium (4), and barium (5). The molecular structures of 2 to 4 are discussed. The environment of the metal atoms is very similar in all these compounds: The metal atoms show an η5 coordination to the phospholide rings forming a bent sandwich complex. The open coordination site is occupied by two THF molecules

Studies in aryltin chemistry. Part 6. Crystal and molecular structures of tetra(p-methylsulphonylphenyl)tin(IV) and tetra(p-methylsulphinylphenyl)tin(IV) monohydrate

1990 ◽  
Vol 68 (8) ◽  
pp. 1277-1282 ◽  
Author(s):  
Ivor Wharf ◽  
Michel G. Simard ◽  
Henry Lamparski
Keyword(s):  
Least Squares ◽  
Crystal Structures ◽  
Direct Method ◽  
Molecular Structures ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Molecular Symmetry ◽  
Asymmetric Unit ◽  
Full Matrix ◽  
Space Group

Tetrakis(p-methylsulphonylphenyl)tin(IV) and tetrakis(p-methylsulphinylphenyl)tin(IV) n-hydrate have been prepared and their spectra (ir 1350–400 cm−1; nmr, 1H, 13C, 119Sn) and X-ray crystal structures are reported. The first compound is monoclinic, space group C2/c, Z = 4, with a = 21.589(6), b = 6.207(3), c = 22.861(11) Å, β = 93.80(3)° (22 °C); the structure was solved by the direct method and refined by full-matrix least squares calculations to R = 0.043 for 2755 observed reflections. It has 2 molecular symmetry with the methyl group and one oxygen atom completely disordered in both CH3S(O2) groups in the asymmetric unit. The second compound is tetragonal, space group P42/n, Z = 2, with a = b = 15.408(6), c = 6.379(2) Å (−100 °C); the structure was solved by the Patterson method and refined by full-matrix least squares calculations to R = 0.060 for 1209 observed reflections. It has [Formula: see text] molecular symmetry with the whole asymmetric unit disordered. Water molecules occupy positions on parallel 42 axes but molecular packing requirements prevent all sites having 100% occupancy giving n ~ 1 for the hydrate. Keywords: Tetra-aryltins, crystal structures, sulphone, sulphoxide, hydrogen-bonding.

Structural and spectroscopic studies of transition metal nitrite complexes. VIII. Crystal structures and spectra of three pentanuclear species with stoichiometry [Ni5(N-substituted ethane-1,2-diamine)4(OH)2(NO2)8]

1981 ◽  
Vol 34 (10) ◽  
pp. 2139 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
CL Raston ◽  
GL Rowbottom ◽  
AH White
Keyword(s):  
Transition Metal ◽  
Crystal Structures ◽  
General Formula ◽  
Infrared Spectra ◽  
Spectroscopic Studies ◽  
Molecular Structures ◽  
Structural Variations ◽  
Crystal And Molecular Structures

The preparation of a series of novel compounds of general formula [Ni5L4(NO2)8(OH)2] formed by ethane-1,2-diamine or one of five N-substituted ethane-1,2-diamines (L) is described. The crystal and molecular structures of the ethane-1,2-diamine, N,N'-diethylethane-1,2-diamine and N,N-dimethylethane-1,2-diamine complexes are reported. Each compound contains a planar, pentameric arrangement of nickel(II) ions, linked by bridging hydroxide and nitrite ligands. The details of the nitrite bridges differ among the complexes, causing differences in their electronic and infrared spectra. The structural variations are probably caused by the differing steric requirements of the amine substituents.

Four 2-amino-6-aryl-4-methoxy-11H-pyrimido[4,5-b][1,4]benzodiazepines: similar molecular structures but different crystal structures

2008 ◽  
Vol 64 (12) ◽  
pp. o643-o648
Author(s):  
Ricaurte Rodríguez ◽  
Justo Cobo ◽  
Manuel Nogueras ◽  
John N. Low ◽  
Christopher Glidewell
Keyword(s):  
Crystal Structures ◽  
Molecular Structures

Lewis-Base Adducts of Group 1B Metal(I) Compounds. XXI The Crystal and Molecular Structures of the Unsolvated Forms of Dibromotris(triphenylphosphine)dicopper(I) and 'step' Tetrabromotetrakis(triphenyl-phosphine)tetracopper(I)

1985 ◽  
Vol 38 (8) ◽  
pp. 1243 ◽  
Author(s):  
JC Dyason ◽  
LM Engelhardt ◽  
C Pakawatchai ◽  
PC Healy ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Molecular Structures ◽  
Lewis Base ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triphenyl Phosphine ◽  
X Ray ◽  
Crystal And Molecular Structures

The crystal structures of the title compounds have been determined by single-crystal X-ray diffraction methods at 295 K. Crystal data for (PPh3)2CuBr2Cu(PPh3) (1) show that the crystals are iso-morphous with the previously studied chloro analogue, being monoclinic, P21/c, a 19.390(8), b 9.912(5), c 26.979(9) Ǻ, β 112,33(3)°; R 0.043 for No 3444. Cu( trigonal )- P;Br respectively are 2.191(3); 2.409(2), 2.364(2) Ǻ. Cu(tetrahedral)- P;Br respectively are 2.241(3), 2.249(3); 2.550(2), 2.571(2) Ǻ. Crystals of 'step' [PPh3CuBr]4 (2) are isomorphous with the solvated bromo and unsolvated iodo analogues, being monoclinic, C2/c, a 25.687(10), b 16.084(7), c 17.815(9) Ǻ, β 110.92(3)°; R 0.072 for No 3055. Cu( trigonal )- P;Br respectively are 2.206(5); 2.371(3), 2.427(2) Ǻ. Cu(tetrahedral)- P;Br are 2.207(4); 2.446(2), 2.676(3), 2.515(3) Ǻ.

Structural and spectroscopic studies of transition metal nitrite complexes. V. Crystal structures and spectra of trans-Tetrakis(pyridine)dinitritonickel(II)-pyridine (1/2), trans-Tetrakis(4-methylpyridine)dinitritonickel(II) and trans-Tetrakis(pyrazole)-dinitritonickel(II)

1981 ◽  
Vol 34 (10) ◽  
pp. 2095 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
CL Raston ◽  
GL Rowbottom ◽  
BW Skelton ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Crystal Structures ◽  
Electronic Spectra ◽  
Spectroscopic Studies ◽  
Molecular Structures ◽  
Aromatic Rings ◽  
Paddle Wheel ◽  
Crystal And Molecular Structures ◽  
Infrared Frequencies

The crystal and molecular structures of the compounds [Ni(py)4(ONO)2],2py, [Ni(γmpy),(ONO)2] and [Ni(prz)4(ONO)2] are reported.�All three are trans nitrito complexes, the pyridine (py) compound containing two pyridine molecules of solvation. The aromatic rings in the first two complexes adopt 'paddle wheel' conformations with pitch angles varying between 40 and 70�. The nitrite ions are positioned so as to minimize repulsive interactions with the amines, and it seems likely that these groups bond through oxygen rather than nitrogen because this allows a lesser degree of interligand steric interference. The amine rings in [Ni(prz)4(ONO)2] are orthogonal to the plane containing the nickel and coordinated pyrazole nitrogen atoms; the nitrito groups are disordered between two inequivalent positions, each of which involves hydrogen bonding with the pyrazole NH groups. The nitrite infrared frequencies are similar to those observed for other nickel(II) nitrito complexes except that the antisymmetric NO stretching mode of one of the groups in the pyrazole complex is much lower in energy than expected, being in the range normally associated with a nitrogen-bonded or chelated nitrite group. It is suggested that this deviation may be caused by the hydrogen bonding in the complex. The electronic spectra of the compounds yield 10Dq values of 9100 and 8500 cm-1 for the nitrite ligands in [Ni(py)4(ONO)2] and Ni(prz)4(ONO)2], respectively, placing the nitrito group towards the weaker end of the spectro-chemical series.

scholarly journals Comparison of molecular structures of cis-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations

2020 ◽  
Vol 76 (12) ◽  
pp. 1813-1817
Author(s):  
Masatoshi Mori ◽  
Takayoshi Suzuki
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Steric Hindrance ◽  
Molecular Structures ◽  
Coordination Geometry ◽  
Donor Group ◽  
Bending Deformation ◽  
Bond Lengths ◽  
Square Planar ◽  
Chelate Ligands

The crystal structures of the complexes (SP-4-2)-cis-bis[8-(dimethylphosphanyl)quinoline-κ2 N,P]nickel(II) bis(perchlorate) nitromethane monosolvate, [Ni(C11H12NP)2](ClO4)2·CH3NO2 (1), and (SP-4-2)-cis-bis[8-(dimethylphosphanyl)quinoline-κ2 N,P]platinum(II) bis(tetrafluoroborate) acetonitrile monosolvate, [Pt(C11H12NP)2](BF4)2·C2H3N (2), are reported. In both complex cations, two phosphanylquinolines act as bidentate P,N-donating chelate ligands and form the mutually cis configuration in the square-planar coordination geometry. The strong trans influence of the dimethylphosphanyl donor group is confirmed by the Ni—N bond lengths in 1, 1.970 (2) and 1.982 (2) Å and, the Pt—N bond lengths of 2, 2.123 (4) and 2.132 (4) Å, which are relatively long as compared to those in the analogous 8-(diphenylphosphanyl)quinoline complexes. Mutually cis-positioned quinoline donor groups would give a severe steric hindrance between their ortho-H atoms. In order to reduce such a steric congestion, the NiII complex in 1 shows a tetrahedral distortion of the coordination geometry, as parameterized by τ4 = 0.199 (1)°, while the PtII complex in 2 exhibits a typical square-planar coordination geometry [τ4 = 0.014 (1)°] with a large bending deformation of the ideally planar Me2Pqn chelate planes. In the crystal structure of 2, three F atoms of one of the BF4 − anions are disordered over two sets of positions with refined occupancies of 0.573 (10) and 0.427 (10).

Crystal and molecular structures of boldenone and four boldenone steroid esters

2019 ◽  
Vol 234 (10) ◽  
pp. 671-683 ◽  
Author(s):  
Alexandru Turza ◽  
Maria O. Miclăuș ◽  
Aurel Pop ◽  
Gheorghe Borodi
Keyword(s):  
Crystal Structures ◽  
High Throughput ◽  
High Throughput Screening ◽  
Molecular Structures ◽  
Anabolic Androgenic Steroid ◽  
Crystal And Molecular Structures ◽  
Hirshfeld Surfaces ◽  
Intermolecular Contacts ◽  
Lattice Energies ◽  
Steroid Skeleton

Abstract Androsta-1,4-dien-17β-ol-3-one, also known as boldenone, is an anabolic-androgenic steroid derived from testosterone. The crystal structures of boldenone base, boldenone acetate, boldenone propionate, boldenone cypionate and a boldenone acetate polymorph obtained by high throughput screening were investigated. Hirshfeld surfaces and fingerprint plots breakdown revealed that the molecular packing in the crystals are driven by dominant H⋯H intermolecular contacts, followed by O⋯H/H⋯O contacts and to a lesser degree C⋯H/H⋯C contacts. The steroid skeleton rings, for all the reported compounds, adopt the following conformation: planar in A, chair in B and C, whereas C(13) envelope conformations are found for the five-membered D rings. The total lattice energies were calculated as a sum of four terms (Coulombic, polarization, dispersion, repulsion).

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