P3Se4I: 5-Iodo-2,3,6,7-tetraselena-1,4,5-triphosphabicyclo[221]heptan, ein neues Phosphorselenaiodid / P3Se4I: 5-Iodo-2,3,6,7-tetraselena-1,4,5-triphosphabicyclo[221]heptan, a New Phosphorus Selena Iodide

1987 ◽  
Vol 42 (1) ◽  
pp. 47-51 ◽  
Author(s):  
Roger Blachnik ◽  
Willi Buchmeier ◽  
Claudia Schneider ◽  
Ulrike Wickel
Keyword(s):  
Bond Length ◽  
Nmr Spectra ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Bond Lengths ◽  
The Mean

P3Se4I is formed by the reaction of molten P4Se3 and I2. P3Se4I is monoclinic, space group P21/c with the lattice parameters of a = 1130.3(3) pm, b = 654.5(2) pm, c =1420.5(4) pm, β - 117.64(2)°. d = 3.87 g cm-3 and dx = 3.82 g cm-3 for Z = 4. The structure of the molecule is derived from the structure of α-or β-P4Se3I2 by the substitution of a P−I group by a Se-atom. The P−I, P−P and Se−Se bond lengths are 249.9, 219.2 and 236.9 pm. resp. The mean P−Se bond length is 225.0 pm. The molecule is stabilized by two weak intramolecular P−Se and P−I bonds, comparable to the bonding situation in α-P4Se3I2 . The 31P NMR spectra reveal a coalescence effect, due to equilibrium between two isomeric forms of the molecules.

The Crystal and Molecular Structures of Bis(diethyldithiocarbamato)platinum(II) and Bis[di(2-hydroxyethyl)dithiocarbamato]platinum(II)

1992 ◽  
Vol 45 (2) ◽  
pp. 429 ◽  
Author(s):  
AT Baker ◽  
MT Emett
Keyword(s):  
Single Crystal ◽  
Bond Length ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Crystal And Molecular Structures

The structures of [Pt(S2CN(C2H5)2)2] (1) and [Pt(S2CN(C2H4OH)2)2] (2) have been determined by single-crystal X-ray diffractometry. Compound (1) crystallizes in the tetragonal space group P42/n, a 16.4692(10),c 6.2160(6) � (Z = 4); R was 0.029 for 1012 observed reflections. Compound (2) is monoclinic, space group Pc, a 6-0663(11), b 1.1784(15), c 12.5740(21) � ,β92.569(8)� (Z = 2); R was 0.019 for 1573 observed reflections. The presence of electron-withdrawing groups in the ligands of (2) appears to have little effect on the Pt-S distances but causes an increase in the C-N bond length, with the C-N bond lengths being significantly different at the 2 σ level.

scholarly journals Crystal structure of CaK2As2O7 and CdK2P2O7

1976 ◽  
Vol 54 (21) ◽  
pp. 3319-3324 ◽  
Author(s):  
Romolo Faggiani ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Coordination Sphere ◽  
Divalent Cations ◽  
Lattice Parameters ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
The Mean ◽  
Oxygen Atoms

Crystals of CaK2As2O7 and CdK2P2O7, both grown from the melt, are monoclinic with Z = 4. The lattice parameters are a = 9.222(6), b = 5.835(3), c = 14.698(10) Å, β = 105.84(5)° with space group P21/c for the diarsenate and a = 9.737(2), b = 5.548(1), c = 12.766(2) Å, β = 106.50(2)° with space group C2/c for the diphosphate. The structures were refined by full-matrix least-squares methods utilizing 2070 reflections (R = 0.056) for the diarsenate and 1145 reflections (R = 0.067) for the diphosphate. Both structures contain pseudo-hexagonally packed anions, in staggered configurations, forming layers with the divalent cations in six coordinate sites between the layers. The average M—O bond lengths are 2.342 and 2.290 Å for M = Ca and Cd respectively. The K ion has nine oxygen atoms with mean K—O bond lengths of 2.943 and 3.020 Å in the diarsenate in the coordination sphere. The mean of the ten shortest K—O is 2.939 Å in the diphosphate.

New Chalcogenogermanates with Adamantane Type Complex Anions: Preparation and Crystal Structures of K4Ge4S10; Rb4Ge4S10, Rb4Ge4Se10, and Cs4Ge4Se10

1999 ◽  
Vol 54 (12) ◽  
pp. 1499-1504 ◽  
Author(s):  
Kurt O. Klepp ◽  
Ferdinand Fabian
Keyword(s):  
Single Crystal ◽  
Bond Length ◽  
Crystal Structures ◽  
Space Group ◽  
Bond Lengths ◽  
Atomic Arrangement ◽  
Type Complex ◽  
The Mean ◽  
Complex Anions ◽  
Germanium Powder

The title compounds were obtained by reacting stoichiometric quantities of the corresponding dialkalimonochalcogenide, germanium powder and chalcogen at 1073 K. The four compounds are isostructural, crystallizing in space group C2/c, Z = 4 with K4Ge4S10: a = 15.161(3), b = 15.198(2), c = 8.760(2) Å, ß = 105.36(3)°, Rb4Ge4S10: a = 15.282(7), b = 15.341(7), c = 9.061(4) Å , ß = 106.10(3)°; Rb4Ge4Se10: a = 16.095(9), b = 16.09(1), c = 9.390(7) Å , ß = 105.79(2)° and Cs4Ge4Se10: a = 16.348(9), b = 16.49(1), c = 9.771(3) Å, ß = 107.10(3)°. Their crystal structures were solved and refined from single crystal diffractometer data (MoKα radiation) obtained at 294 K. They are characterized by the formation of discrete adamantanelike complex anions [Ge4Q10]4- which are arranged in slabs parallel to (010). Mean Ge-S bond lengths are 2.202 A for K4Ge4S10 and 2.186 Å for Rb4Ge4S10 while the mean Ge-Se bond length in both selenides amounts to 2.332(3) Å. Terminal and bridging Ge-Q bonds differ by at least 0.1 Å. The atomic arrangement corresponds to that of Tl4Ge4S10.

Structure of Nickel Orthophosphate

1975 ◽  
Vol 53 (10) ◽  
pp. 1516-1520 ◽  
Author(s):  
Crispin Calvo ◽  
Romolo Faggiani
Keyword(s):  
Bond Length ◽  
Least Squares ◽  
Monoclinic System ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
The Mean ◽  
R Value ◽  
Cation Sites

Ni3P2O8 crystallizes in the monoclinic system with space group P21/c with a = 5.830(2), b = 4.700(2), c = 10.107(4) Å, β = 91.22(2)°, and Z = 2. The structure was refined by full-matrix least squares methods to a final R value of 0.035 using 986 symmetry independent reflections. The structure is isotypic with that of sarcopside, which in turn is related to that of olivine with vacant cation sites ordered. The Ni ions are octahedrally coordinated in two types of sites with average Ni—O bond lengths of 2.081 and 2.067 Å. The mean P—O bond length is 1.547 Å although the tetrahedron shows some unusually large distortions with bond lengths ranging from 1.521 to 1.595 Å.

Crystal structure of vanadium(III) tris(metaphosphate)

1977 ◽  
Vol 55 (10) ◽  
pp. 1673-1679 ◽  
Author(s):  
Nora Middlemiss ◽  
Frank Hawthorne ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
Standard Space ◽  
A Cell ◽  
Oxygen Atoms

Vanadium(III) tris(metaphosphate), V(PO3)3, crystallizes in the monoclinic space group Ic with lattice parameters a = 10.615(2), b = 19.095(4), c = 9.432(1) Å, β = 97.94(1)° with Z = 12. The equivalent parameters in the standard space group Cc are a = 13.189(1), b = 19.095(4), c = 9.432(1) Å, and β = 127.15(1)°. The structure was refined by full-matrix least-squares to an R = 0.091 (Rω = 0.065) utilizing 2467 reflections with the atomic positions and their isotropic vibration amplitudes as parameters. The structure consists of infinite chains of PO4 tetrahedra sharing corners with each other and bridged by VO6 octahedra. All oxygen atoms are shared between just two cations. The average [Formula: see text] bond is 1.581 Å while the average of those shared with vanadium is 1.483 Å. The VO6 group is moderately distorted, with differences of less than 0.06 Å between the longest and shortest V—O bond lengths in any of the three distinct VO6 groups. The average V—O bond lengths for the three VO6 groups are 1.995, 1.991, and 1.987 Å. A marked superlattice effect based on a cell with b/3 is noted.

Crystal and Molecular Structure of N-(Trifluorosilyl)trimethylphosphinimine Dimer

1977 ◽  
Vol 32 (1) ◽  
pp. 22-25 ◽  
Author(s):  
W. S. Sheldrick ◽  
W. Wolfsberger
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Bond Lengths ◽  
Axial Ligands ◽  
Trigonal Bipyramidal ◽  
Pentacoordinate Silicon

N-(Trifluorosilyl)trimethylphosphinimine dimer crystallises in the monoclinic space group P21/n, Z = 2, with a= 6.314(2), b = 12.057(5), c = 10.936(4) Å, β = 95.45(2)°. The structure was solved by direct methods and refined to R 0.078 for 1117 independent reflections. The molecule is dimeric and centrosymmetric with an planar four-membered [SiN]2 ring containing trigonal-bipyramidal pentacoordinate silicon and trigonal nitrogen. Significant differences are observed in the bond lengths from silicon to its equatorial and axial ligands: Si-Neq 1.736(4), Si-Nax 1.857(4), Si-Feq1.606(4) and 1.607(3), Si-Fax 1.668(3) Å. The Si-Neq bond length is similar to that in tetracoordinate derivatives for which a (p →d) π bonding component has been postulated, while the Si-Nax distance is very much shorter than that observed in other pentacoordinate derivatives.

Crystal and Molecular Structure of the Copper(I)-thiolate-selenide Complex [Ph4P][Cu(SeS2CNC4H8)(S2CN2C4H8)] with an Unusual Se-S Bond

1999 ◽  
Vol 54 (10) ◽  
pp. 1313-1317 ◽  
Author(s):  
Qianfeng Zhang ◽  
Jinxi Chen ◽  
Maochun Hong ◽  
Xinquan Xin ◽  
Hoong-Kun Fun
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
A Cell

Reaction of a DMF solution of Cu(S2CNC4H8) with [Ph4P]2[WSe4] affords [Ph4P]2[WSe4- (CuS2CNC4H8)3] (1) and [Ph4P][Cu(SeS2CNC4H )(S2CN2C4H8)] (2) in which a Se atom from the decomposition of the WSe42- anion has reacted with the pyrrolidyldithiocarbamate (C4H8dtc) ligand anion to form the new ligand anion SeS2CNC4H8⊖. Complex 2 crystallizes with four formula units in the monoclinic space group P21/c in a cell of dimensions a = 10.5824(2), b = 18.7575(3), c = 18.3268(4) Å and ß = 109.0980(10)°. 6055 independent reflections above background were measured with a diffractometer and the structure was refined anisotropically to R =0.073. The anion contains a three-coordinated copper(I) atom. The C4H8dtc⊖ ligand is bonded to the Cu+ cation in a terminal fashion, while SeS2CNC4H8⊖ chelates the Cu+ cation. The Se-S bond length is 2.231 (4) Å.

The Crystal and Molecular Structures of Two Modifications of cis-Dichloro-mer-tris-(dimethylphenylphosphine)hydridoiridium(III)

1988 ◽  
Vol 41 (3) ◽  
pp. 283 ◽  
Author(s):  
GB Robertson ◽  
PA Tucker
Keyword(s):  
Heavy Atom ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Metal Ligand ◽  
Ligand Bond

The structures of two crystalline modifications of mer -(Pme2Ph)3H-cis-Cl2IrIII, (1), have been determined from single-crystal X-ray diffraction data. Modification (A) is monoclinic, space group P21/c with a 12.635(1), b 30.605(3), c 14.992(2)Ǻ, β 110.01(2)° and Z = 8. Modification (B) is orthorhombic, space group Pbca with a 27.646(3), b 11.366(1), c 17.252(2)Ǻ and Z = 8. The structures were solved by conventional heavy atom techniques and refined by full-matrix least- squares analyses to conventional R values of 0.037 [(A), 8845 independent reflections] and 0.028 [(B), 5291 independent reflections]. Important bond lengths [Ǻ] are Ir -P(trans to Cl ) 2.249(1) av. (A) and 2.234(1) (B), Ir -P(trans to PMe2Ph) 2.339(2) av. (A) and 2.344(1), 2.352(1) (B), Ir-Cl (trans to H) 2.492(2), 2.518(2) (A) and 2.503(1) (B) and Ir-Cl (trans to PMe2Ph)2.452(2) av. (A) and 2.449(1)(B). Differences in chemically equivalent metal- ligand bond lengths emphasize the importance of non-bonded contacts in determining those lengths.

Zur Darstellung und Struktur des 1.3-Dichloro-5-N.N-dimethylamino-1.3-dithia-2.4.6-triazins / Synthesis and Structure of 1,3-Dichloro-5-N,N-dimethylamino-1,3-dithia-2,4,6-triazine

1983 ◽  
Vol 38 (3) ◽  
pp. 347-349 ◽  
Author(s):  
Herbert W. Roesky ◽  
Pierre Schäfer ◽  
Mathias Noltemeyer ◽  
George M. Sheldrick
Keyword(s):  
Structure Analysis ◽  
Nmr Spectra ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cl Atoms ◽  
C Nmr

Abstract The six membered ring of composition (CH3)2NCN3S2Cl2 3 a was prepared from N,N-dimethylguanidinhydrochloride and trithiadiazindichloride. 3 a was characterized on the basis of mass, 1H, 13C NMR spectra and X-ray structure analysis. Crystals of 3 a are monoclinic, space group P21/c, with a = 660.3(6), b = 834.5(7), c = 1774.7(15) pm, β = 112.83(6)° and Z = 4. The C2N unit lies approximately in the plane of the [-CNSNSN-] ring, with both Cl atoms on the same side of the ring.

Reaktionen von Azacoronanden mit Quecksilber(II)iodid: Kristallstrukturen zweier Komplexe von Hgl2 mit Diaza-15-krone-5 und Diaza-18-krone-6 /Reactions of Azacoronands with Mercury(II) Iodide: Crystal Structures of Two Complexes of Hgl2 with Diaza-15-crown-5, and Diaza-18-crown-6

1997 ◽  
Vol 52 (7) ◽  
pp. 847-850 ◽  
Author(s):  
Joachim Pickardt ◽  
Sven Wiese
Keyword(s):  
Bond Length ◽  
Crystal Structures ◽  
Iodine Atom ◽  
Bond Lengths ◽  
The Mean ◽  
Iodide Crystal

The reactions of diaza-15-crown-5 (“2.1”), and diaza-18-crown-6 (“2.2”), resp., with HgI2 in methanol afford the compounds [Hg(2.1)I][Hg2I6] (1) and [Hg(2.2)I][Hg2I6] (2), the crystal structures of which were determined. 1 consists of isolated cations [Hg(2.1)I]+ and anions [Hg2I6]2-. In the cations Hg is coordinated by one iodine atom, the two N atoms and the three O atoms of the ligand; the Hg-I distance is 262.1(3) pm, the Hg-N bond lengths are 221(2) and 238(2) pm; they are significantly shorter than the Hg-O distances, which are in the range between 262 and 271 pm. 2 consists of cations [Hg(2.2)I]+, which are bridged by the anions. In the cations of 2 Hg is coordinated by an iodine atom and by the two N atoms of the ligand, but by only three of the four O atoms. The Hg-I distance is 275.8(5) pm, the mean Hg-N bond length 234(4) pm, and the Hg-O distances vary between 285 and 304 pm. The Hg-I distance to the bridging I atom of the anion is 388.6(6) pm. The Hg-I bond lengths within the anions are slightly widened by this coordination.

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