Die Röntgenstrukturanalyse der Pyrrolide (CH3)2Al - C4H3NCH3 und (CH3)2Ga - N(CCH3)4 / The X-Ray Structure Determination of the Pyrrolides (CH3)2Al - C4H3NCH3 and (CH3)2Ga - N(CCH3)4

1994 ◽  
Vol 49 (3) ◽  
pp. 430-433 ◽  
Author(s):  
Hans-Dieter Hausen ◽  
Jochen Tödtmann ◽  
Johann Weidlein
Keyword(s):  
Structure Determination ◽  
Unit Cell ◽  
Lattice Parameters ◽  
Metal Ring ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants

AbstractN-M ethyl-2-dimethylaluminium pyrrolide, (CH3)2Al -C4H3NCH3, crystallizes in the triclinic space group P1̄ with the lattice constants a = 700.5(1), b = 725.9(1), c = 886.8(1) pm, α = 67.69(1)°, β = 70.99(1)°, γ = 88.48(1)°, and Z = 2. This compound is isotypic with the gallium homologue [1], the shortest metal-ring contact between the two molecules of one unit cell decreases to 228.6 pm. N-dimethylgallium tetramethylpyrrolide has been synthesized from Li-N (CCH3)4 and (CH3)2GaCl. This “π-associate” crystallizes in the monoclinic space group P21/c with the lattice parameters a = 989.9(2), b = 1305.4(3), c = 878.3(2) pm, β - 112.73(1)° and 4 units per cell. Again two centrosymmetrically orientated molecules form a dimer by short (224.0 pm) intermolecular “Ga - πC ” contacts but the structure differs significant from the structure of the indium homologue [1].

Notizen: Eine neue bicyclische Zinn-Selen-Verbindung. Synthese und Kristallstruktur von [{Cp(CO)2Fe}3ClSn3Se4] / A New Bicyclic Tin Selenium Compound. Synthesis and Crystal Structure of [{Cp(CO)2Fe}3ClSn3Se4]

1993 ◽  
Vol 48 (7) ◽  
pp. 1009-1012 ◽  
Author(s):  
Kurt Merzweiler ◽  
Harald Kraus
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Selenium Compound ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Compound Synthesis

[{Cp(CO)2Fe}SnCl3] reacts with Na2Se in THF to form the compound [{Cp(CO)2Fe}3ClSn3Se4] 1. 1 crystallizes in the monoclinic space group P21/n with 4 formula units per unit cell. The lattice constants are α = 1435.2(7), b = 1124.4(4), c = 1972.7(12) pm, β = 94.59(4)°. According to the X-ray structure determination 1 contains a bicyclic Sn3Se4 framework.

scholarly journals Synthesis, spectroscopic studies and X-ray structure determination of two mononuclear copper complexes derived from the Schiff base ligand N,N-dimethyl-N'-((5-methyl-1H-imidazol-4-yl)methylene)ethane-1,2-diamine

2019 ◽  
Vol 10 (3) ◽  
pp. 201-208
Author(s):  
Pokpa Haba ◽  
Adama Sy ◽  
Farba Bouyagui Tamboura ◽  
Mamour Sarr ◽  
Ibrahima Elhadji Thiam ◽  
...  
Keyword(s):  
Schiff Base ◽  
Crystal Lattice ◽  
Structure Determination ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Reactions of the Schiff base N,N-dimethyl-N'-((5-methyl-1H-imidazol-4-yl)methylene) ethane-1,2-diamine (HL), synthesised in situ, with chloride or thiocyanate copper (II) salt; afforded two new mononuclear complexes, [Cu(HL)Cl2]·H2O (1) and [Cu(HL)(SCN)2] (2). These compounds have been studied and characterized by elemental analysis, IR and UV-Vis spectroscopies, electrochemistry, molar conductivity and room temperature magnetic measurements. Single crystal X-ray structure determination of the complexes revealed the presence of neutral moieties in the asymmetric unit. The mononuclear (1) crystallises in the monoclinic space group P21/c with the following unit cell parameters a = 7.4355(3) Å, b = 7.2952(3) Å, c = 26.2729(11) Å, β = 93.461(4)°, V = 1422.52(10) Å3, Z = 4, R1 = 0.033 and wR2 = 0.082 and the mononuclear complex (2) crystallises in the monoclinic space group C2/c with the following unit cell parameters a = 26.2578(7) Å, b = 7.4334(2) Å, c = 16.6237(5) Å, β = 99.089(3)°, V = 3203.95(16) Å3, Z = 8, R1 = 0.037 and wR2 = 0.104. In both complexes the ligand acts in tridentate fashion and the coordination environment of the copper atom can be described as distorted square pyramidal. The crystal lattice of the complex 1 is stabilized by electrostatic forces of attraction and O–H···Cl, C–H···O, N–H···Cl, and C–H···Cl, hydrogen bonding interactions while the crystal lattice of the complex 2 is stabilized by N–H···S and C–H···N.

YLiSn — eine ternäre Verbindung mit verzerrtem Li-Sn-Wurtzitgerüst / YLiSn - a Ternary Compound with Distorted Li - Sn - Wurtzit - Type Lattice

1979 ◽  
Vol 34 (8) ◽  
pp. 1165-1166 ◽  
Author(s):  
Gunter Steinberg ◽  
Hans-Uwe Schuster
Keyword(s):  
Ternary Compound ◽  
Structure Determination ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Type Lattice

The X-ray structure determination of YLiSn showed that Li and Sn form a weakly distorted Wurtzit-type lattice, whose octahedral lacunas are occupied by Y. The lattice constants of the hoxagonally crystallizing compound are a = 929.6 pm and c = 734.6 pm, space group P 63mc, Z = 8

Anionische Komplexe [Mo2(O2CPh)4X2]2⊖ mit X = N3, Cl, Br. Die Kristallstruktur von (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 / Anionic Complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, Cl, Br. The Crystal Structure of (PPh4)2[Mo2(O2C-Ph)4Cl2] · 2CH2Cl2

1985 ◽  
Vol 40 (1) ◽  
pp. 13-18 ◽  
Author(s):  
Kay Jansen ◽  
Kurt Dehnicke ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Diffraction Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Anionic Complexes

The syntheses and IR spectra of the complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, CI, Br and the counter ion PPh4⊕ are reported. The azido and the bromo complexes are obtained from a solution of [Mo2(O2CPh)4] with PPh4N3 in pyridine or by reaction with PPh4Br in CH2Br2, respectively. When (PPh4)2[Mo2(O2CPh)4(N3)2] is dissolved in CH2Cl2, nitrogen is evolved and the complex with X = CI is obtained. The crystal structure of (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 was determined from X-ray diffraction data (5676 observed independent reflexions, R = 0.042). It crystallizes in the monoclinic space group P21/n with four formula units per unit cell; the lattice constants are a = 1549, b = 1400, c = 1648 pm, β = 94.6°. The centrosymmetric [Mo2(O2CPh)4Cl2]2⊖ ion has a rather short Mo-Mo bond of 213 pm, whereas the MoCl bonds are very long (288 pm)

scholarly journals Chemie polyfunktioneller Moleküle, 114 [1]. Synthese und Struktur eines ionischen und nichtionischen, cyclischen Carbaphosphazens und eines Cobalt(III)phosphazen-Komplexes / Chemistry of Polyfunctional Molecules, 114 [1]. Synthesis and Structure of an Ionic and Non Ionic Cyclic Carbaphosphazene and of a Cobalt(III)phosphazene Complex

1994 ◽  
Vol 49 (12) ◽  
pp. 1763-1773 ◽  
Author(s):  
Jochen Ellermann ◽  
Jörg Sutter ◽  
Falk A. Knoch ◽  
Matthias Moll ◽  
Walter Bauer
Keyword(s):  
Mass Spectra ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
H Nmr

Reaction of (1) in CH2Cl2 with benzimidazole yields . The salt [4]+BPh4- has been prepared in THF by metathesis of [4]+Cl- with NaBPh4. Deprotonation of the cationic ring in [4]+BPh4- was accomplished using 1,8-diazabicyclo[5.4.01,7]undec-7-ene and resulted in the six-membered carbacyclophosphazene (6). Treating 1 with 8 -hydroxyquinoline in CH2Cl2 yields the octahedral cis-complex = 8-oxyquinolinate group). The com pounds [4]+BPh4-, 6 and 7 are characterized by their IR, Raman, 31P{1H} NMR, 13C{1H} NMR, 1H NMR and mass spectra. Crystals suitable for X-ray structure analyses have been obtained for [4]+BPh4- and 7×0.5 CH2Cl2. The colourless plates of [4]+BPh4- crystallize in the triclinic space group P1̄, with the lattice constants a = 1172.7(3), b = 1326.2(3), c = 1806.1(6) pm; α = 100.79(2), β = 103.71(3), γ = 108.18(2)°. The black blocks of 7×0.5 CH2Cl2 crystallize in the monoclinic space group P 21/c with the lattice constants a = 1159.0(10), b = 2008.9(10), c = 2034.6(12) pm; β = 105.86(5)°.

Chiral Thioaldehyde Complexes of Rhenium, X-Ray Structure Determination of [Cp(NO)(Ph3P)Re(η2-S=CHPh)]PF6 [1]

1994 ◽  
Vol 49 (12) ◽  
pp. 1633-1639 ◽  
Author(s):  
Wolfdieter A. Schenk ◽  
Nicolai Burzlaff ◽  
Hans Burzlaff
Keyword(s):  
Structure Determination ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Acid Cleavage ◽  
Hydride Abstraction ◽  
Thiolate Complexes

Chiral thiolate complexes [Cp(NO)(Ph3P)ReSCH2R] (R=Ph, 4-C6H4Cl, 4-C6H4OMe, H, Me) are obtained from [Cp(NO)(Ph3P)ReCH3] by acid cleavage in the presence of thiol and subsequent deprotonation. Small amounts of (chloromethyl)thioether complexes [Cp(NO)(Ph3P)ReS(CH2Cl)CH2R]BF4 are formed when dichloromethane is used as a sol­ vent in this reaction. Hydride abstraction using [Ph3C]PF6 converts the thiolate complexes into ionic thioaldehyde complexes [Cp(NO)(Ph3P)Re(η2-S=CHR)]PF6. These are obtained as pure (RR,SS)-diastereomers as shown spectroscopically and by X-ray structure determination of [Cp(NO)(Ph3P)Re(η2-S=CHPh)]PF6. Crystals are monoclinic, space group I2/a (No. 15), a = 25.877(3), b = 18.785(2), c = 13.768(1) Å , β = 104.93(1)°, Z -8.

Preparation and Crystal Structure Determination of [(C2Η5)4N]2Hg3Cl8

1995 ◽  
Vol 50 (1) ◽  
pp. 66-70 ◽  
Author(s):  
Inge Pabst ◽  
Peter Sondergeld ◽  
Mirjam Czjzek ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Analysis ◽  
Structure Determination ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Coordination Type ◽  
X Ray

The title compound has been prepared in two different ways: First, by boiling single crystals of [(C2H5)4N]HgCl3 in a mixture of n-hexane/n-octane [4:1] at T = 350 K, and second, in a synthesis from stoichiometric quantities of the components. X-ray structure analysis gave the stoichiometry [(C2H5)4N]2Hg3Cl8, monoclinic, space group P21, a = 7.538(3), b = 19.909(6), c = 10.274(3) Å, β = 95.13(1)°, V = 1535.7(9) A3, Z = 2. The basic [Hg3Cl8]2--units form broken zig-zag chains along [100]. The Hg–Cl distances within the [Hg3Cl8]2- clusters range from 2.315(3) to 2.755(4) Å. This is a new coordination type for halomercurates.

X-ray structures of adducts of 1,2,5-triphenylphosphole with dimethyl acetylenedicarboxylate: a confirmation, a revision, and a new structure

1993 ◽  
Vol 71 (11) ◽  
pp. 1873-1889 ◽  
Author(s):  
Martin B. Hocking ◽  
Francies W. Van Der Voort Maarschalk
Keyword(s):  
Amorphous Material ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Dimethyl Acetylenedicarboxylate ◽  
Orthorhombic Space Group ◽  
Polymeric Product ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Refinement

Dimethyl acetylenedicarboxylate was reacted with 1,2,5-triphenylphosphole under mild conditions, and four products isolated. Regardless of conditions used, every preparation gave low yields of dimethyl 3,6-diphenylphthalate coincident with loss of the phosphorus bridge. NMR data and X-ray crystal structures are provided for a yellow, and a red, 2:1 adduct. The yellow adduct, tetramethyl 1,6,7-triphenyl-6-phospha(V)-tricyclo[7.3.1.01,9]nona-3,5,7-triene-2,3,4,5-tetracarboxylate 6, crystallized in the triclinic space group [Formula: see text] (No. 2) with two molecules in the unit cell. Refinement (a = 11.259(1) Å, b = 12.947(3) Å, c = 13.784(3) Å, α = 112.25(2)°, β = 103.44(1)°, and γ = 101.80(1)°) converged at R = 0.0453 (Rw = 0.0453) for 537 parameters using 2880 reflections with I > 2σ(I). The red adduct, trimethyl 1,2,5-triphenylphosphoranylidene-4-methoxycyclopent-2-ene-5-one-2,3,4-tricarboxylate, an exocyclic phosphorane 8, crystallized in the monoclinic space group P21/c (No. 14) with four molecules in the unit cell. Refinement of this structure (a = 13.233(5) Å, b = 15.712(5) Å, c = 17.191(7) Å, α = 90°, β = 110.35(4)°, and γ = 90°) converged at R = 0.0916 (Rw = 0.0937) for 400 parameters using 2052 reflections with I > 2.5σ(I). Small amounts of a white or buff amorphous material, which could represent a polymeric product from the lost phosphorus bridge, were also obtained. Thermal rearrangement of the yellow adduct gave a colourless 6,5,3 tricyclic isomer 11, possibly via the isomeric cyclopropyl derivative 15 or the nine-membered phosphonin 7. The structure of 11 was confirmed by mild oxidation of the colourless rearrangement product to its P-oxide. This product, tetramethyl 2,3,6-triphenyl-2-phosphatricyclo[6.1.01,8.05,9]-2-oxonona-3,6-diene-1,7,8,9-tetracarboxylate 12, was also colourless. It crystallized in the orthorhombic space group Pbc21 (No. 29) with four pairs of molecules in the unit cell. Refinement of this structure (a = 8.918(1) Å, b = 22.605(4) Å, and c = 30.169(6) Å) converged at R = 0.0747 (Rw = 0.0757) for 321 parameters using 3255 reflections with I > 3σ(I). Unequivocal structures for these adducts and derivatives finally confirms, and establishes further understanding of, the complex reactions of the triphenylphosphole with dimethyl acetylenedicarboxylate.

scholarly journals Die Kristallstruktur von Calciumhexacyanoferrat(II)- Hexamethylentetramin-Wasser(1/1/6) Ca2 [Fe(CN)6] · C6H12N4 · 6H2O / The Crystal Structure of Calciumhexacyanoferrate(II)- Hexamethylenetetramine-Water(1/1/6) Ca2[Fe(CN)6] · C 6H12N4 · 6H2O

1988 ◽  
Vol 43 (2) ◽  
pp. 135-137 ◽  
Author(s):  
H.-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Unit Cell ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

Ca2[Fe(CN)6] · C6H12N4 · 6H2O crystallizes in the monoclinic space group B2/b with a = 1130,2(4), b = 1373,5(4), c = 1353,0(4) pm and γ = 97,17°. The X-ray single crystal structure determination converged at R = 0.055 (2057 reflections). Each of the four Fe(CN)6 octahedra (Z = 4) in the unit cell is coordinated by six Ca atoms with mean NCYAN - Ca distances of 253.5(3) pm. The Ca atoms are bridged by hexamethylenetetramine and water molecules

Zur Reaktion von Pt(PPh3)4 mit [2,3-Bis(diphenylphosphino)-N-methyl-maleinimid]platin(II)-chlorid / Reaction of Pt(PPh3)4 with [2,3-Bis(diphenylphosphino)-N-methylmaleimide]platinum(II)-chloride

1986 ◽  
Vol 41 (5) ◽  
pp. 575-580 ◽  
Author(s):  
Walter Bensmann ◽  
Dieter Fenske ◽  
Eberhard Matern
Keyword(s):  
Single Crystal ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Pt Complex

Abstract [2,3-Bis(diphenylphosphino)-N-methylmaleimide]PtCl2 reacts with Pt(PPh3)4 to form a new diamagnetic Pt-complex 4. Its formation is a result of P-C-cleavage by insertion of Pt. The structure was determined by single crystal X-ray analysis. 4 crystallizes in the triclinic space group P1̄ (4 A), and in the monoclinic space group P 21/c (4B). The lattice constants (at 180 K) are: 4A: a = 1069.9(8), b = 1494.9(11), c = 2013.7(18) pm, α = 84.27(3), β = 86.24(2), γ = 71.91(2)°;4B: a = 1480.8(5), b = 1488.6(5), c = 3302.8(13) pm, β = 102.61(3)°.

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