Crystal structure of Bis(2,2':6',2''-terpyridyl)cobalt(II) iodide dihydrate at 295 K and at 120 K

1983 ◽  
Vol 36 (8) ◽  
pp. 1527 ◽  
Author(s):  
BN Figgis ◽  
ES Kucharski ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Ground State ◽  
Title Compound ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
A Site ◽  
Tetragonal Cell ◽  
Spin Ground State

The crystal structure of the title compound, [CO(C15H11N3)2] 12.2H2O, has been determined by single crystal X-ray diffraction methods at 295 K and at 120 K, being refined by least squares to residuals of 0.051 and 0.035 respectively for 982 and 1024 'observed' reflections at these temperatures. Both structures are based on a P42/n tetragonal cell, a c. 8.9, c c. 19.4 �, Z 2, in which only a quarter of the cation is independent, being located about a site of 4 symmetry. At room temperature (μoff c. 3.2 BM) Co-N (central, distal) are 1.942(7), 2.104(5) � diminishing to 1.912(5), 2.083(4) � at 120 K, with μoff c. 2.2 BM, corresponding to a fully populated low-spin ground state.

Crystal structure of Diaqua(1,10-phenanthroline)copper(II) sulfate

1984 ◽  
Vol 37 (5) ◽  
pp. 1111 ◽  
Author(s):  
PC Healy ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Copper Atom ◽  
Title Compound ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Axial Coordination ◽  
Square Planar

The crystal structure of the title compound, [Cu(OH2)2(phen)] (SO4) (phen = 1,10-phenanthroline), has been determined by single-crystal X-ray diffraction methods at room temperature, being refined by full matrix least-squares methods to a residual of 0.033 for 1445 'observed' reflections. Crystals are monoclinic, C2/c, a 14.883(8), b 13.843(9), c 7.019(4) �, β 108.60(4)�, Z 4. As in a number of other copper(II) and nickel(II) derivatives with (CuL4)(SO4) stoichiometry, the pseudo-square planar copper environments [Cu-N,O: 2.009(2), 1.970(2) � in the present case] are bridged through the two axial coordination positions by sulfate groups: O.SO2.O[Cu(OH2)2(phen)]O.SO2.0, etc. to give a linear polymeric array [Cu-O(SO4), 2.468(3) �]; a crystallographic twofold axis passes through the copper atom.

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

Structural Systematics of Rare Earth Complexes. VII. Crystal Structure of Bis(2,2'/6',2␛-Terpyridinium) Octaaquaterbium(III) Heptachloride Hydrate

1994 ◽  
Vol 47 (2) ◽  
pp. 391 ◽  
Author(s):  
CJ Kepert ◽  
BW Skeleton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Structural Characterization ◽  
Title Compound ◽  
Room Temperature ◽  
Chloride Ions ◽  
Full Matrix ◽  
X Ray

The room-temperature single-crystal X-ray structural characterization of the title compound (tpyH2)2[Tb(OH2)8]Cl7.~2⅓H2O is recorded. Crystals are triclinic, Pī , a 17.063(5), b 16.243(3), c 7.878(3) Ǻ, α 84.78(2), β 84.39(3), γ 87.81(2)°, Z = 2 formula units; 3167 'observed' diffractometer reflections were refined by full-matrix least-squares procedures to a residual of 0.057. Notable features of interest of the compound are the 'chelation' of chloride ions by the terpyridinium cations , and the existence of a free [Tb(OH2)8]2+ cation in the presence of an abundance of chloride ions.

Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature

CrystEngComm ◽  
2021 ◽  
Author(s):  
Gennady V. Shilov ◽  
Elena I. Zhilyaeva ◽  
Sergey M. Aldoshin ◽  
Alexandra M Flakina ◽  
Rustem B. Lyubovskii ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electrical Resistivity ◽  
Single Crystal ◽  
Room Temperature ◽  
Organic Conductor ◽  
X Ray Diffraction ◽  
X Ray ◽  
Resistivity Measurements ◽  
Molecular Conductor ◽  
Abrupt Changes

Electrical resistivity measurements of a dual layered organic conductor (ET)4ZnBr4(1,2-C6H4Cl2) above room temperature show abrupt changes in resistivity at 320 K. Single-crystal X-ray diffraction studies in the 100-350 K range...

Crystal structure of ab-Bis(3-methylpyridine)-dc,fe-bis(pentane-2,3,4-trione 3-oximato)iron(II)

1978 ◽  
Vol 31 (11) ◽  
pp. 2431 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Chelate Ligands

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction and refined by least squares to a residual of 0.062. Crystals are monoclinic, P2/c, a 19.102(8), b 8.117(4), c 16.610(8) Ǻ, β 111.90(3)°, Z. Unlike the tris(α-oxyimino ketonato)iron(II) complexes which are fac, the present derivative is based upon substitution of the two picoline moieties into a mer derivative, trans to the nitrogen atoms of the chelate ligands. <Fe- N(picoline)> is 2.020; <Fe-N, O(chelate)> 1.880, 1.952 Ǻ.

Crystal Structure of Calcium Picrate Pentahydrate: A New Eight-Coordinate Stereochemistry for [M(bidentate)2(unidentate)4]

1979 ◽  
Vol 32 (2) ◽  
pp. 301 ◽  
Author(s):  
V Diakiw ◽  
TW Hambley ◽  
DL Kepert ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Title Compound ◽  
Lattice Site ◽  
The Other ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Triangular Face ◽  
X Ray

The crystal structure of the title compound, Ca(C6H2N307)2,5H2O, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.049 for 1513 'observed' reflections. Crystals are orthorhombic, Pmab, a 24.169(6), b l0.292(7), c 8.554(2) �, Z 4. The stereochemistry about the calcium has not been observed previously for the system [M(bidentate)2- (unidentate)4]; in the present structure, the calcium is coordinated by a pair of bidentate picrate ligands and the four water molecules in an array in which three of the water molecules occupy a triangular face of a square antiprism, the overall array having m symmetry. The remaining water molecule occupies a lattice site with no close interaction with the other species.

O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate: structural evidence of the decomposition product and its oxalate salt

2019 ◽  
Vol 234 (9) ◽  
pp. 613-621
Author(s):  
Marc André Althoff ◽  
Jörn Frederik Martens ◽  
Marco Reichel ◽  
Manfred Metzulat ◽  
Thomas Matthias Klapötke ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Analytical Methods ◽  
Decomposition Product ◽  
X Ray Diffraction ◽  
X Ray ◽  
Rearrangement Process ◽  
Study Support ◽  
First Time

Abstract The molecular and single crystal structure of O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate oxalate, as determined by single crystal X-ray diffraction studies, is described for the first time; although this compound is well-known by industry and research from the mid-20th century. The known decomposition product of pure O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate could also be structurally characterized. Additionally, the compounds are characterized by recent analytical methods e.g. NMR. The findings of our study support the thesis that the isolated decomposition product must be a by-product of the thiono-thiolo rearrangement process of the title compound.

The crystal structure of Tris(1,10-phenanthroline)osmium(II) Bis(perchlorate) monohydrate and its implications for electron-pair repulsion theory

1984 ◽  
Vol 37 (9) ◽  
pp. 1817 ◽  
Author(s):  
HA Goodwin ◽  
DL Kepert ◽  
JM Patrick ◽  
BW keltn ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Electron Pair ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of the title compound, [Os(phen)3](ClO4)2.c. 1H2O, has been determined by single-crystal X-ray diffraction methods at 295 K, being refined to a residual of 0.043 for 3477 'observed' independent reflections. Crystals are monoclinic, C2/c, a 35.94(2), b 16.020(5), c 12.370(5) �, β 102.38(3)�, Z 8, and are isostructural with the copper(II) analogue. Osmium-nitrogen distances range from 2.066(7) to 2,082(7) � (mean, 2.075 �). Departures of the stereochemistry of tris- (α, α'-diimine)metal systems from the expectations of electron-pair repulsion theory are examined.

Crystal structure of (Z)-Cembr-4-ene-15,19,20-triol

1977 ◽  
Vol 30 (12) ◽  
pp. 2723 ◽  
Author(s):  
EN Maslen ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Relative Configuration ◽  
Macrocyclic Ring ◽  
X Ray

The crystal structure of the title compound, CZOH3803 [compound (1) in ref.'], has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.045 for 954 'observed' reflections. Crystals are monoclinic, P2', a 9.281(2), b 17.798(6), c 6.417(1) A, B 93.81(3)", Z 2. The structure determination establishes the relative configuration of the chiral centres within the 14-membered macrocyclic ring and shows the double bond to have the unusual (Z) configuration.

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