Crystal structures of (RS)-Di-μ-chloro-tetrakis(ethane-1,2-diamine)nickel(II) dichloride and diperchlorate

1978 ◽  
Vol 31 (2) ◽  
pp. 285 ◽  
Author(s):  
GA Bottomley ◽  
LG Glossop ◽  
CL Raston ◽  
AH White ◽  
AC Willis
Keyword(s):  
Single Crystal ◽  
Least Squares ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Complex Cation ◽  
Dimeric Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coordination Sites

The crystal structures of [(en)2NiCl2Ni(en)2] Cl2 (1) and [(en)2NiCl2Ni(en)2] (ClO4)2 (2) have been redetermined from single- crystal X-ray diffraction data at 295(1) K and refined by least squares to residuals of 0.073 and 0.052 respectively for 1345 and 1605 'observed' reflections respectively. Crystals of (1) are monoclinic, P21/n, a 14.053(4), b 11.309(3), c 6.326(1) Ǻ, β 94.22(2)�, Z 2. Crystals of (2) are monoclinic, P21/n, a 8.885(12), 6 19.707(20), c 7.120(8) Ǻ, β 108.99(4)�, Z 2. In both (1) and (2), a dimeric complex cation is observed, a pair of cis coordination sites about the nickel in each case being occupied by the bridging chlorines; the latter are asymmetric (Ni-Cl, 2.461(3), 2.551(3)(1); 2.461(3), 2.512(3) Ǻ (2)).

Lewis-Base Adducts of Group-11 Metal(I) Compounds. XXIX. Crystal Structures of Bis(Pyridine-4-carbonitrile)silver(I) Nitrate and Bis(4-benzoylpyridine)Silver(I) Nitrate Monohydrate

1987 ◽  
Vol 40 (9) ◽  
pp. 1603 ◽  
Author(s):  
S Gotsis ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Least Squares ◽  
Crystal Structures ◽  
Complex Cation ◽  
Lewis Base ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Silver Atoms ◽  
Close Contacts

The crystal structures of the title compounds, [Ag(C6H4N2),] (NO3), (I), and [Ag(C12H9NO)2] (NO3).H2O, (2), have been determined by single-crystal X-ray diffraction methods at ~295 K, being refined by full-matrix least-squares methods to residuals of 0.042 and 0.044 for 1814 and 3434 independent 'observed' reflections respectively. Crystals of (1) and (2) are triclinic P1; for (1) a, 27.954(7), b 6.354(2), c 3.710(1)�, α 87.55(3), β 86.21(2), γ 89.35(2)�, Z 2; for (2), a 17.036(5), b 8.691(3), c 7.849(3) �, α � 107.74(2), β 97 53(2), γ 91 .11(2)�, Z 2. In both structures the formulation is basically a linearly coordinated complex cation/anion as shown above: in (I), Ag-N are 2.214(4), 2.203(4) � with N-Ag-N, 162.2(2)"; in (2), Ag-N are 2.146(3), 2.147(3) �, N-Ag-N, 175.3(1)�. The shortest Ag-O contact is found in (1) at 2.693(4)�. No close contacts are found between the silver atoms and cyano or ketonic ligand substituents.

scholarly journals Darstellung und Kristallstrukturen von (PH4P)4Sb8I28 und (Ph4P)Sb3I10(Ph = C6H5) / Synthesis and Crystal Structures of (PH4P)4Sb8I28 and (Ph4P)Sb3I10(Ph = C6H5)

1987 ◽  
Vol 42 (12) ◽  
pp. 1493-1499 ◽  
Author(s):  
Siegfried Pohl ◽  
Wolfgang Saak ◽  
Detlev Haase
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Lone Pair ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Molar Ratios ◽  
Polymeric Chains ◽  
Bond Strengths

AbstractThe compounds (Pn4P)4Sb8I28 (1) and (Ph4P)Sb3I10 (2) were prepared by the reaction of SbI3 and Ph4PI in acetonitrile (molar ratios 2:1 and 3:1 respectively). The structures of 1 and 2 were determined from single crystal X-ray diffraction data.1 crystallizes in the triclinic space group P1̄ with a - 1321.7(5). b = 1346.7(5), c = 2201.8(8) pm, α = 104.18(2). β = 99.92(2), γ = 100.33(2)°; 2: monoclinic, C2/c, a = 2371.1(2), b = 745.0(1), c = 2495.1(2) pm, β = 100.75(1)°.Whereas 1 exhibits isolated Sb8I284- ions, the anions of 2 are built up of polymeric chains [Sb3I10- ]∞. In both compounds the distorted Sbl6 octahedra are linked by common edges. The Sb-I distances are in the range between 277.4 and 354.8 pm (1) and between 277.4 and 342.4 pm (2). The observed structures do not only depend on stoichiometry, the nature of the counter cations, and the possibility of oligomerisation but also on the wide variety of the Sb-I bond strengths and the different bridges formed by iodine.The lone pair of Sb(III) seems to be predominantly 5 s2.

A REFINEMENT OF THE CRYSTAL STRUCTURES OF (NH4)2TeBr6 AND Cs2TeBr6

1966 ◽  
Vol 44 (8) ◽  
pp. 939-943 ◽  
Author(s):  
A. K. Das ◽  
I. D. Brown
Keyword(s):  
Least Squares ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Bromine Atom ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Anisotropic Temperature ◽  
Temperature Factors

(NH4)2TeBr6 and Cs2TeBr6 crystals have the cubic K2PtCl6 structure with space group: [Formula: see text] with a0 = 10.728 ± 0.003 Å and 10.918 ± 0.002 Å respectively. The positional coordinate of the bromine atom, and the anisotropic temperature factors of all atoms in the unit cell, have been refined for both crystals by a full matrix least-squares analysis of the three dimensional X-ray diffraction data (R = 0.08). The Te—Br distance, corrected for probable thermal motions of atoms forming the bond, is 2.70 ± 0.01 Å in both crystals.

On racemic and L-malates: a comparison of their crystal structures

2004 ◽  
Vol 219 (2) ◽  
Author(s):  
Michel Fleck ◽  
Ekkehart Tillmanns ◽  
Ladislav Bohatý ◽  
Peter Held
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

AbstractThe crystal structures of eight different L-malates have been determined and refined from single-crystal X-ray diffraction data. The compounds are the monoclinic (space groupIn addition, for all the compounds, powder diffraction data were collected, analysed and submitted to the powder diffraction file (PDF).

scholarly journals Hydrogels formed from Fmoc amino acids

CrystEngComm ◽  
2015 ◽  
Vol 17 (42) ◽  
pp. 8047-8057 ◽  
Author(s):  
Emily R. Draper ◽  
Kyle L. Morris ◽  
Marc A. Little ◽  
Jaclyn Raeburn ◽  
Catherine Colquhoun ◽  
...  
Keyword(s):  
Amino Acids ◽  
Molecular Weight ◽  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Low Molecular Weight ◽  
X Ray Diffraction ◽  
X Ray ◽  
Single Crystal Structures

A number of Fmoc amino acids can be effective low molecular weight hydrogelators; we compare single crystal structures to fibre X-ray diffraction data.

Crystal structure of Tris(ethane-1,2-diamine)nickel(II) diperchlorate monohydrate

1978 ◽  
Vol 31 (2) ◽  
pp. 415 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
AC Willis
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Structure Determination ◽  
Title Compound ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
X Ray ◽  
Very High

The crystal structure of the title compound, [Ni(en)3] (ClO4)2,H2O, has been determined from single-crystal X-ray diffraction data at 295(1) K and refined by least squares to a residual of 0.093 for 1400 'observed' reflections. Crystals are orthorhombic, P bca, a 17.043(7), b 15.922(6), c 13.496(5) Ǻ, Z 8. The precision of the structure determination is adversely affected by very high perchlorate thermal motion. <Ni-N> is 2.13 Ǻ.

High-pressure syntheses and crystal structures of orthorhombic DyGaO3 and trigonal GaBO3

2015 ◽  
Vol 70 (4) ◽  
pp. 207-214 ◽  
Author(s):  
Daniela Vitzthum ◽  
Stefanie A. Hering ◽  
Lukas Perfler ◽  
Hubert Huppertz
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
High Pressure High Temperature

AbstractOrthorhombic dysprosium orthogallate DyGaO3 and trigonal gallium orthoborate GaBO3 were synthesized in a Walker-type multianvil apparatus under high-pressure/high-temperature conditions of 8.5 GPa/1350 °C and 8 GPa/700 °C, respectively. Both crystal structures could be determined by single-crystal X-ray diffraction data collected at room temperature. The orthorhombic dysprosium orthogallate crystallizes in the space group Pnma (Z = 4) with the parameters a = 552.6(2), b = 754.5(2), c = 527.7(2) pm, V = 0.22002(8) nm3, R1 = 0.0309, and wR2 = 0.0662 (all data) and the trigonal compound GaBO3 in the space group R3̅c (Z = 6) with the parameters a = 457.10(6), c = 1419.2(3) pm, V = 0.25681(7) nm3, R1 = 0.0147, and wR2 = 0.0356 (all data).

Crystal structures of hexa(N-methylurea)cobalt(II) sulfate and thiosulfate

1980 ◽  
Vol 33 (2) ◽  
pp. 425 ◽  
Author(s):  
BN Figgis ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Least Squares ◽  
Crystal Structures ◽  
Complex Cation ◽  
X Ray Diffraction ◽  
Threefold Axis ◽  
X Ray

The crystal structures of the title compounds, [Co(C2H6N2O)6](SO4)(1) and[Co(C2H6N2O)6](S2O3) (2), have been determined at 295 K by X-ray diffraction using diffractometer data and refined by least squares to residuals of 0.042 (1), 0.043 (2) [875 and 926 reflections with I > (3σ(I)]. Crystals are trigonal, R 3c, a 1.4890(1) nm, α 43.34(1)° (1); a 1.4760(3) nm, α 44.53(1)° (2), Z 2. The compounds are isostructural; the complex cation has 3 symmetry, Co-O, 209.6(2) (1), 209.9(2) pm (2); the geometry of the ligand is well defined and precise, but the anions, located at sites of symmetry 32, are disordered. ��� The cobalt environment is distorted from Oh symmetry, being compressed along the threefold axis.

scholarly journals Crystal structure of Tetraaqua(ethylenediamine)nickel(II) sulfate dihydrate and of Tetraaqua(2,2'-bipyridyl)nickel(II) sulfate dihydrate

1984 ◽  
Vol 37 (5) ◽  
pp. 921 ◽  
Author(s):  
PC Healy ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Least Squares ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Oxygen Atoms

The crystal structures of the title compounds, [Ni(OH2)4(en)] [SO4].2H2O, (1), and [Ni(OH2)4(bpy)]- [SO4].2H2O, (2), have been determined by single-crystal X-ray diffraction methods at 295 K, being refined by full matrix least-squares methods to residuals of 0.028,0.031 for 1852, 4323 independent 'observed' reflections respectively. Crystals of (1) are monoclinic, C2/c, a 9.459(4), b 12.192(7), c 12.294(3) �, β 119.84(4)�, Z 4. In the cation, Ni-N is 2.061(2) �; Ni-O (trans to O, N respectively) are 2.106(2), 2.063(2) �. Instead of being enlarged above 90� as predicted from repulsion theory, the angle between the pair of oxygen atoms trans to nitrogen is diminished, being 87 14(7)�. Crystals of (2) are triclinic, P1, a 11.476(5), b 9.351(5), c 7.793(4) �, α 77.63(4), β 83.52(3), γ87.40(4)�, Z 2. In the cation, Ni-N are both 2.063(2) �. Ni-O (trans to N, O respectively) are 2.060(2), 2.O42(2); 2.O80(2), 2�. The short Ni-O distance [2.042(2)�] is associated with the coordination of a trigonal water molecule.

The crystal structure of galeite, Na15(SO4)5F4Cl

1975 ◽  
Vol 40 (312) ◽  
pp. 357-361 ◽  
Author(s):  
L. Fanfani ◽  
A. Nunzi ◽  
P. F. Zanazzi ◽  
A. R. Zanzari
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Thermal Parameters ◽  
X Ray Diffraction ◽  
Cell Content ◽  
X Ray ◽  
Structure Factors

SummaryThe crystal structure of galeite from Searles Lake (California) has been determined by means of X-ray diffraction data on a single crystal. A possible structure was derived from that of schairerite on the basis of chemical and lattice analogies and was confirmed by comparison of the observed diffractometric structure factors with the calculated ones. The refinement was performed by least-squares methods employing isotropic thermal parameters and assuming that atoms related by translational pseudosymmetry exhibit equal thermal parameters. The final R value is 0·09. The cell content is 3[Na15(SO4)5F4Cl]; the space group is P31m The lattice dimensions are a 12·197(4)Å, c 13·955(10) Å The marked subcell has P3m1 symmetry and a 7·042Å, c 13·955 Å. The crystal structure of galeite consists of a three-dimensional framework, formed by coordination octahedra around Na+ ions, including tetrahedral holes with sulphur atoms at the centres. The three-dimensional framework can be considered built up by five octahedral sheets (seven sheets can be recognized in schairerite and six in sulphohalite). The very close analogies occurring in the structures of galeite and schairerite are discussed.

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