Copper(I) Derivative of Pyridine-3-carbaldehyde-N-ethylthiosemicarbazone and Triphenylphosphine—First Case of Crystal Structure Study

AbstractThe new mineral species oxycalcioroméite, Ca2Sb5+2O6O, has been discovered at the Buca della Vena mine, Stazzema, Apuan Alps, Tuscany, Italy. It occurs as euhedral octahedra, up to 0.1 mm in size, embedded in dolostone lenses in the baryte + pyrite + iron oxides ore. Associated minerals are calcite, cinnabar, derbylite, dolomite, hematite, 'mica', pyrite, sphalerite and 'tourmaline'. Oxycalcioroméite is reddish-brown in colour and transparent. It is isotropic, with ncalc = 1.950.Electron microprobe analysis gave (wt.%; n = 6) Sb2O5 63.73, TiO2 3.53, SnO2 0.28, Sb2O3 10.93, V2O3 0.68, Al2O3 0.28, PbO 0.68, FeO 5.52, MnO 0.13, CaO 13.68, Na2O 0.83, F 1.20, O = F – 0.51, total 100.96. No H2O, above the detection limit, was indicated by either infrared or micro-Raman spectroscopies. The empirical formula, based on 2 cations at the B site, is (Ca1.073Fe2+0.338Sb3+0.330Na0.118Pb0.013Mn0.008)Σ=1.880(Sb5+1.734Ti0.194V0.040Al0.024Sn0.008)Σ=2.000(O6.682F0.278)Σ6.960. The crystal structure study gives a cubic unit cell, space group Fdm, with a 10.3042(7) Å, V 1094.06(13) Å3, Z = 8. The five strongest X-ray powder diffraction lines are [d(Å)I(visually estimated)(hkl)]: 3.105(m)(311); 2.977(s)(222); 2.576(m)(400); 1.824(ms)(440); and 1.556(ms)(622). The crystal structure of oxycalcioroméite has been solved by X-ray single-crystal study on the basis of 114 observed reflections, with a final R1 = 0.0114. It agrees with the general features of the members of the pyrochlore supergroup.

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First case of an eleven-co-ordinated trivalent lanthanoid: X-ray crystal structure of penta-aquatri(nitrato)lanthanum(III) monohydrate

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39780000616 ◽

1978 ◽

pp. 616-617 ◽

Cited By ~ 7

Author(s):

Birgitta Eriksson ◽

Lars Olof Larsson ◽

Lauri Niinistö

Keyword(s):

Crystal Structure ◽

X Ray ◽

First Case

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A Novel DR/NIR T-Shaped AIEgen: Synthesis and X-Ray Crystal Structure Study

Crystals ◽

10.3390/cryst10040269 ◽

2020 ◽

Vol 10 (4) ◽

pp. 269 ◽

Cited By ~ 1

Author(s):

Rosita Diana ◽

Ugo Caruso ◽

Luigi Di Costanzo ◽

Gelsomina Bakayoko ◽

Barbara Panunzi

Keyword(s):

Crystal Structure ◽

Near Infrared ◽

Condensation Product ◽

Infrared Emission ◽

Structure Study ◽

X Ray ◽

Hydrogen Bond Interactions ◽

Main Plane ◽

Donor Acceptor ◽

Intramolecular Hydrogen

We developed a new benzodifuran derivative as the condensation product between 2,6-diamino-4-(4-nitrophenyl)benzo[1,2-b:4,5-b’]difuran-3,7-dicarboxylate and 3-hydroxy-2-naphthaldehyde. The intramolecular hydrogen-bond interactions in the terminal half-salen moieties produce a sterically encumbered highly conjugated main plane and a D-A-D (donor-acceptor-donor) T-shaped structure. The novel AIEgen (aggregation-induced enhanced emission generator) fulfils the requirement of RIR (restriction of intramolecular rotation) molecules. DR/NIR (deep red/near infrared) emission was recorded in solution and in the solid state, with a noteworthy photoluminescence quantum yield recorded on the neat crystals which undergo some mechanochromism. The crystal structure study of the probe from data collected at a synchrotron X-ray source shows a main aromatic plane π-stacked in a columnar arrangement.

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Characterization and crystal structure study of a new Cu(II) complex of pyridine-2,6-dicarboxylic acid and aniline containing a water cluster

Journal of Structural Chemistry ◽

10.1134/s0022476613010162 ◽

2013 ◽

Vol 54 (1) ◽

pp. 116-122 ◽

Cited By ~ 2

Author(s):

U. Ibotomba Singh ◽

R. K. Bhubon Singh ◽

M. J. Borah ◽

J. P. Jasinski ◽

J. A. Golen

Keyword(s):

Crystal Structure ◽

Dicarboxylic Acid ◽

Water Cluster ◽

Structure Study

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Extended x-ray absorption fine structure study of incorporation of Bi and Pb atoms into the crystal structure of Ba4.5Nd9Ti18O54

Journal of Materials Research ◽

10.1557/jmr.1997.0116 ◽

1997 ◽

Vol 12 (3) ◽

pp. 799-804 ◽

Cited By ~ 11

Author(s):

M. Valant ◽

I. Arčon ◽

D. Suvorov ◽

A. Kodre ◽

T. Negas ◽

...

Keyword(s):

Crystal Structure ◽

Fine Structure ◽

Local Environment ◽

Structure Study ◽

X Ray ◽

Absorption Fine ◽

Exafs Study ◽

X Ray Absorption

In the extended x-ray absorption fine structure (EXAFS) study of the local environment of Bi3+ and Pb2+ ions incorporated in Ba4.5Nd9Ti18O54, actual sites of Bi- and Pb-incorporation are determined. Evidence is given that dopant ions are not distributed randomly on all theoretically possible sites; Bi3+ selectively enters one out of three possible channels, corresponding to the sites x = 0.9484, y = 0.2500, z = 0.2939, and/or x = 0.0455, y = 0.2500, z = 0.6928 previously occupied by Nd3+, while Pb2+ selectively enters site x = 0.4940, y = 0.2500, and z = 0.4993 previously shared by Ba2+ and Nd3+.

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