The crystal structure of bis(ethyldiazoacetate) mercury(II) Hg(CN2CO2C2H5)2

1977 ◽  
Vol 55 (20) ◽  
pp. 3527-3529 ◽  
Author(s):  
R. A. Smith ◽  
M. Torres ◽  
O. P. Strausz
Keyword(s):  
Crystal Structure ◽  
Diffuse Scattering ◽  
Heavy Atom ◽  
Unit Cell ◽  
Thermal Parameters ◽  
Fold Axis ◽  
Axis Of Symmetry ◽  
Cell Data ◽  
Unit Cell Data

Bis(ethyldiazoacetate) mercury(II) is orthorhombic with the following unit cell data at 20 °C: Fdd2, a = 19.810(8), b = 14.387(5), c = 9.015(2) Å, V = 2569.3 Å3, ρ0 = 2.17(2), ρc = 2.21, Z = 8 ([Formula: see text]λ = 0.70930 Å). The structure was solved by heavy atom methods and refined to R = 2.2% for 706 reflections. The molecule has a 2-fold axis of symmetry and all thermal parameters are large in the direction of this axis; diffuse scattering was observed in the rotation photograph taken about this axis. As expected the diazoacetate portion is planar.

The crystal structure of tert- butyl ethyldiazoacetate mercury(II)

1977 ◽  
Vol 55 (14) ◽  
pp. 2752-2754 ◽  
Author(s):  
R. A. Smith ◽  
M. Torres ◽  
O. P. Strausz
Keyword(s):  
Crystal Structure ◽  
Heavy Atom ◽  
Unit Cell ◽  
Tert Butyl ◽  
Cell Data ◽  
Unit Cell Data

tert-Butyl ethyldiazoacetate mercury(II) is monoclinic with the following unit cell data at 20 °C: P21/n, a = 8.089(3), b = 18.720(10), c = 7.893(3) Å, β = 93.20(3)°, V = 1193.3 Å3, ρo = 2.09(1), ρc = 2.06, Z = 4. The structure was solved by heavy atom methods and refined to R = 6.6% for 1003 reflections. The diazoacetate portion is planar; the CN2 portion is linear.

Structural and vibrational studies of 1,1,3,3-tetracyanopropane and 2,2,4,4,6-pentacyanocyclohexenamine

1987 ◽  
Vol 65 (2) ◽  
pp. 261-270 ◽  
Author(s):  
R. A. Bell ◽  
B. E. Brown ◽  
M. Duarte ◽  
H. E. Howard-Lock ◽  
C. J. L. Lock
Keyword(s):  
Unit Cell ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
New Methods ◽  
Cell Dimensions ◽  
Cell Data ◽  
Unit Cell Data ◽  
Monoclinic Cell ◽  
C Nmr

1,1,3,3-Tetracyanopropane, 1, was prepared in low yields by a literature method with 2,2,4,4,6-pentacyanocyclohexenamine, 2, as a major by-product. The products were examined by X-ray crystallography. 1 has an orthorhombic space group, Pbcn (No. 60) with cell dimensions, a = 7.158(2), b = 10.510(3), c = 9.733(2) Å and has four formula units in the unit cell. 2 has a monoclinic cell, P21/c (No. 14) with cell dimensions a = 14.368(3), b = 6.626(1), c = 12.300(2) Å, β = 115.60(1)° and has 4 formula units in the unit cell. Data were collected with use of MoKα radiation and a Nicolet P3 diffractometer. The crystal structures were determined by standard methods and refined to Rw = 0.037 (1) and Rw = 0.040 (2) on the basis of 782 and 2108 unique reflections. Bond lengths and angles in the two compounds are normal. 2 has what has been considered to be the less likely tautomeric structure. Both compounds were examined by 1H, 13C nmr, vibrational spectroscopy, and mass spectroscopy. For 2 there was no evidence of the alternative tautomeric structure. New methods were developed for the preparation of both compounds and the mechanism of the original reaction rationalized.

Demicheleite-(I), BiSI, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy

2010 ◽  
Vol 74 (1) ◽  
pp. 141-145 ◽  
Author(s):  
F. Demartin ◽  
C. M. Gramaccioli ◽  
I. Campostrini
Keyword(s):  
Unit Cell ◽  
Crystal Habit ◽  
New Mineral ◽  
Orthorhombic Space Group ◽  
Medium Temperature ◽  
Synthetic Compound ◽  
Calculated Density ◽  
Cell Data ◽  
Unit Cell Data ◽  
Fossa Crater

AbstractDemicheleite-(I), ideally BiSI, is the iodine-dominant analogue of demicheleite-(Br) and demicheleite-(Cl). It was found in an active medium-temperature intracrateric fumarole at La Fossa crater, Vulcano Island, Aeolian archipelago, Sicily, Italy. The mineral is the first bismuth sulphoiodide so far discovered in a wholly natural environment, and corresponds to the already known synthetic compound. It occurs as acicular to stout, translucent crystals up to 0.25 mm long in an altered pyroclastic breccia, together with demicheleite-(Br), bismoclite, bismuthinite, godovikovite, panichiite, aiolosite, brontesite, adranosite and other new phases under study. The colour is dark red to black, the lustre submetallic. The unit cell is orthorhombic, space group Pnam, with a = 8.4501(7) Å, b = 10.1470(9) Å , c = 4.1389(4) Å , V = 354.88(4) Å3, and Z = 4. The crystal habit is prismatic, with the main forms {110} and {111} inferred from analogy with demicheleite-(Br). Twinning was not observed. The strongest 6 lines in the X-ray powder diffraction pattern [dobs.(Å) (I/I0) (hkl)] are: 6.490 (100) (110); 4.346 (94) (120); 3.896 (90) (210); 2.709 (60) (310); 2.161 (38) (330); 3.243 (22) (220). The chemical analysis obtained by WDS electron microprobe gave: Bi 58.32, S 9.43, I 23.69, Br 5.66, Cl 1.01, totalling 98.11 wt.%, corresponding to an empirical formula (based on 3 a.p.f.u.) of: Bi0.97S1.03(I0.65Br0.25Cl0.10)Σ1.00. The unit-cell data are close to those of the synthetic compound, whose crystal structure is already known. The calculated density is 6.411 g cm–3.

Barium Rare Earth Titanates: X-Ray Characterization of BaR2Ti3O10 and BaR2Ti4O12: R = Lanthanide

1992 ◽  
Vol 7 (3) ◽  
pp. 176-178 ◽  
Author(s):  
X. Jing ◽  
C. Zheng ◽  
A.R. West
Keyword(s):  
Rare Earth ◽  
Solid State ◽  
Unit Cell ◽  
Lanthanide Ion ◽  
X Ray ◽  
Ion Size ◽  
Cell Data ◽  
Unit Cell Data ◽  
Cell Volumes

AbstractThe compounds, BaR2Ti3O10: R = La, Pr, Nd and Sm; BaR2Ti4O12: R = La, Pr, Sm, Gd, Eu have been prepared by solid state reaction and characterized by X-ray powder diffraction. Unit cell data are summarised; lattice parameters and unit cell volumes increase approximately linearly with lanthanide ion size.

Aegirine of possible authigenic origin in Middle Devonian sediments in Caithness, Scotland

1978 ◽  
Vol 42 (324) ◽  
pp. 439-442 ◽  
Author(s):  
N. J. Fortey ◽  
U. McL. Michie
Keyword(s):  
River Basin ◽  
Middle Devonian ◽  
Unit Cell ◽  
Green River Formation ◽  
Green River Basin ◽  
Green River ◽  
X Ray ◽  
Orcadian Basin ◽  
Cell Data ◽  
Unit Cell Data

SummaryAn occurrence of aegirine in Middle Devonian lacustrine beds in Caithness is described. The mineral occurs as euhedral to subhedral prismatic crystals within a finely laminated siltstone. Microprobe analyses reveal a remarkably ‘pure’ composition consisting almost entirely of Na, Fe3+, Si, and O. X-ray diffractometry yielded the unit cell data: a 9·657 Å, b 8·800 Å, c 5·296 Å, and β 107·37°. Comparison with other natural aegirine compositions shows marked differences from those of igneous or metamorphic origin but a close similarity to a unique occurrence of authigenic aegirine in the lacustrine Green River Formation of Wyoming, U.S.A. Consideration of the nature of the Caithness occurrence, and comparison of the Devonian Orcadian basin with the Eocene Green River basin indicate similar geological environments. It is suggested that the mineral formed in hypersaline conditions in which sodium may have been derived from contemporaneous alkaline volcanism within the Orcadian basin.

X-Ray structure of tris(acetonitrile)tricarbonylrhenium(I) tetrafluoroborate

1977 ◽  
Vol 55 (1) ◽  
pp. 111-114 ◽  
Author(s):  
Lillian Y. Y. Chan ◽  
E. E. Isaacs ◽  
W. A. G. Graham
Keyword(s):  
Least Squares ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
The Mean ◽  
Unit Cell Dimensions ◽  
Cell Data ◽  
Unit Cell Data

Reaction of [n-Bu4N]2[Re4(CO)16] with AgBF4 in acetonitrile affords the compound [(CH3CN)3Re(CO)3][BF4]. The latter crystallizes in monoclinic space group P21/c with unit cell dimensions a = 11.021(5) Å, b = 11.136(5) Å, c = 12.980(6) Å, β = 96.906(25)°, and four molecules per unit cell. Data were collected by counter methods and the structure was refined using least-squares procedures to give R = 0.041. The rhenium cation is approximately octahedrally coordinated by six facially arranged ligands. The mean rhenium–nitrogen distance is 2.13 Å, and the mean rhenium–nitrogen–carbon angle in the coordinated acetonitrile is 174.7°.

Sign in / Sign up

Export Citation Format

Share Document