Crystal Structure and Fluorescence Properties of a New Ternary Binuclear Complex: Sm2(C3H3O2)6(phen)2

2007 ◽  
Vol 62 (10) ◽  
pp. 1267-1270 ◽  
Author(s):  
Xian-Wen Wang ◽  
Fu-Ping Chen ◽  
Liang Chen ◽  
Jing-Zhong Chen
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Cell Parameters ◽  
Supramolecular Chains

A new ternary mixed ligand dinuclear samarium(III) complex, Sm2(C3H3O2)6(phen)2 (1) (C3H3O2 = acrylate; phen = 1,10-phenathroline), has been synthesized and characterized by microanalysis, IR and UV/vis spectra and single crystal X-ray diffraction. Compound 1 crystallizes in the triclinic space group P1̅ with cell parameters: a = 9.6687(19), b = 10.690(2), c = 10.799(2) Å , α = 105.50(3), β = 106.67(3), γ = 91.59(3)°, V = 1023.8(3) Å3. The Sm(III) cations are bridged by four acrylate anions into a dinuclear molecular unit. The nine-coordinate Sm(III) atoms adopt a significantly distorted monocapped anti-square-prismatic geometry. Within the crystal structure, the complex molecules are associated via π-π stacking interactions into one-dimensional supramolecular chains along the [011] direction. Compound 1 exhibits intense fluorescence in the solid state at room temperature.

scholarly journals Crystal structure of a one-dimensional coordination polymer of gadolinium dibromoacetate with 4,4'-bipyridine

2018 ◽  
Vol 9 (3) ◽  
pp. 178-181 ◽  
Author(s):  
Leslaw Sieron ◽  
Agnieszka Czylkowska ◽  
Bartlomiej Rogalewicz
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Coordination Polymer ◽  
Stacking Interactions ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Coordinate Geometry

A new gadolinium(III) complex with 4,4’-bipyridine (4-bpy) and dibromoacetate ligand of general formula [Gd(4-bpy)(CBr2HCOO)3(H2O)]n, has been synthesized, crystallized and characterized by a single-crystal X-ray diffraction analysis. The gadolinium atom has an unsymmetrical eight-coordinate geometry, being coordinated by six oxygen atoms of dibromoacetate anions, one nitrogen atom of 4-bpy and one water molecule. The complex is a one-dimensional polymer as a result of dibromoacetate ligand bridging with the repeating monomeric units. There are π...π stacking interactions between the 4-bpy rings as well as O–H...O and O–H...N hydrogen bonds. Crystal Data for C16H13Br6GdN2O7 (Mw = 981.99 g/mol): triclinic, space group P-1 (no. 2), a = 9.7368(4) Å, b = 11.5416(4) Å, c = 11.7634(4) Å, α = 104.2750(10)°, β = 94.060(2)°, γ = 92.6900(10)°, V = 1275.08(8) Å3, Z = 2, T = 90 K, μ(CuKα) = 28.190 mm-1, Dcalc = 2.558 g/cm3, 8399 reflections measured (7.782° ≤ 2Θ ≤ 133.18°), 4006 unique (Rint = 0.0409, Rsigma = 0.0639) which were used in all calculations. The final R1 was 0.0527 (I > 2σ(I)) and wR2 was 0.1396 (all data).

Synthesis, Crystal Structure and Magnetic Properties of a Copper(II) p-Formylbenzoate Complex

2012 ◽  
Vol 67 (11) ◽  
pp. 1185-1190 ◽  
Author(s):  
Jin-Li Qi ◽  
Wei Xu ◽  
Yue-Qing Zheng
Keyword(s):  
Room Temperature ◽  
Magnetic Measurements ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Ferromagnetic Interactions ◽  
Aqueous Conditions ◽  
Discrete Complex

A new Cu(II) complex was prepared at room temperature from the reaction of p-formylbenzoic acid, phenanthroline, CuCl2⋅2H2O, and NaOH under ethanolic aqueous conditions. The complex has been characterized by X-ray diffraction, IR spectroscopy, TG-DTA analyses, and magnetic measurements. Single-crystal X-ray diffraction analysis indicated that the complex crystallizes in the triclinic space group P1̄ with the cell dimensions a=7.875(2), b=10.724(2), c=15.317(3) Å , α =102.65(3), β =93.71(3), γ =107:64(3)°. The Cu atoms are in the environment of distorted CuN2O3 tetragonal pyramids. These discrete complex molecules are packed through intermolecular π...π-stacking interactions and C-H...O hydrogen bonds forming a supramolecular structure. The title complex obeys the Curie-Weiss law with a Curie constant C=0:53 cm3 K mol-1 and a Weiss constant θ = -0:27 K. The shape of the xmT curve is characteristic of weak ferromagnetic interactions between the Cu(II) centers from 300 to 7 K, while there are weak antiferromagnetic interactions below 7 K.

scholarly journals Synthesis, Spectral and Thermal Studies, and Crystal Structure of cis-Bis(4-methylimidazole)bis(picolinato)copper(II) [Cu(pic)2(4-MeIm)2]

2006 ◽  
Vol 61 (10) ◽  
pp. 1217-1221 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Keser ◽  
C. Cüneyt Ersanli ◽  
O. Zafer Yeşilel ◽  
Nazan Ocak
Keyword(s):  
Thermal Studies ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
In Cis ◽  
Hydrogen Bondings

The mixed-ligand picolinato (pic) complex of Cu(II) with 4-methylimidazole (4-MeIm), [Cu(pic)2(4-MeIm)2], was synthesized and characterized by elemental analysis, magnetic susceptibility, spectroscopic methods (UV/vis and FT-IR) and X-ray diffraction. In the slightly distorted octahedral cis-bis(4-methylimidazole)bis(picolinato)copper(II) complex, the pic ligands are coordinated to the Cu(II) ion as bidentate N,O-donors forming chelate rings. The 4-MeIm ligands are N-coordinated in cis positions. The complex crystallizes in the triclinic space group p̅1 with unit cell parameters a = 9.204(5), b = 9.498(5), c = 13.095(5) Å , α = 90.395(5), β = 101.687(5), γ = 112.291(5)° and Z = 2. Hydrogen bondings and C-H ··· π interactions occur between picolinato and methylimidazole ligands of neighboring complex molecules. The thermal decomposition of the complex is described.

Synthese und Kristallstruktur von Triphenyltelluroniumsulfid / Synthesis and Crystal Structure of Triphenyltelluroniumsulfide

1994 ◽  
Vol 49 (12) ◽  
pp. 1654-1658 ◽  
Author(s):  
Markus Wieber ◽  
Stefan Lang ◽  
Stefan Rohse ◽  
Ralph Habersack ◽  
Christian Burschka
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters

The synthesis of triphenyltelluroniumsulfide (Ph3TeS)4 is described together with a NMR-spectroscopic characterization. The structure of the title compound was determined by single crystal X-ray diffraction. Crystals of triphenyltelluroniumsulfide are triclinic (space group P1) with the cell parameters a = 1178.0(3) pm. b = 1295.8(6) pm. c = 1298.7(4) pm, α = 77.67(3)°, β = 82.18(2)°, γ = 66.00(2)° (V = 1766(1) × 106 pm3) and Z = 2. The compound appears to form a step-like structure of two [Ph3TeS]2 units and crystallizes with two molecules of CH2Cl2 per unit cell.

scholarly journals Synthesis, Characterization, and Crystal Structure of Negundoside (2′-p-Hydroxybenzoyl Mussaenosidic Acid)

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Suresh Sharma ◽  
B. D. Gupta ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Direct Method ◽  
Monoclinic Crystal System ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic Crystal ◽  
Full Matrix ◽  
X Ray ◽  
Cell Parameters

The structure of title compound Negundoside (2′-p-hydroxybenzoyl mussaenosidic acid) was established by spectral and X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with space group P21 having unit cell parameters: a=11.6201 (5) Å, b=9.2500 (4) Å, c=12.2516 (5) Å, β=97.793 (4)°, and Z=2. The crystal structure was solved by direct method using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R value of 0.0520 for 3389 observed reflections.

Reactions between Co(II), 1,2-bis(diphenylphosphino)ethane, and NaBH3CN in the presence and absence of CO. The crystal structure of bis(cyanotrihydroborato)tetrakis(N,N-dimethylformamide)cobalt(II)

1988 ◽  
Vol 66 (7) ◽  
pp. 1770-1775 ◽  
Author(s):  
David J. Elliot ◽  
Sanna Haukilahti ◽  
David G. Holah ◽  
Alan N. Hughes ◽  
Stanislaw Maciaszek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
R Factor

Reactions between Co(II), Diphos, and NaBH3CN lead to Co(BH3CN)2(Diphos)2, 1, or [Co(BH3CN)(Diphos)2]X, 2 (X = ClO4 or BPh4), and, in certain solvents, 2 reacts to produce [Co(CN)(Diphos)2](ClO4). Compound 1 can be reversibly converted to Co(BH3CN)2(DMF)4, 4, via Co(BH3CN)2(Diphos)(DMF). In addition, 1 reacts with CO to form the Co(I) and Co(III) compounds [Co(Diphos)2](CO)]X and [Co(Diphos)2(CN)2]X (X = BH3CN or BPh4). Single crystal X-ray diffraction studies of 4 show that the compound crystallizes in the triclinic space group [Formula: see text], with unit cell parameters a = 7.572(6), b = 9.695(6), c = 9.395(6) Å, α = 81.06(4), β = 68.46(5), γ = 68.19(5)°, V = 595.5 Å3, Z = 1, and dcalcd = 1.202 g cm−3. The structure converged to a conventional R factor of 0.040 for 2841 observations and showed an octahedral arrangement of four O atoms from DMF molecules and two trans N-bound BH3CN groups around the Co(II) center.

Schwingungsspektren und Normalkoordinatenanalysen der Dioxoosmate( VI) trans-[OsO2(CN)4]2-, trans-[OsO2(CN)2(0H )]22- und trans-[OsO2(CN)2(OCH3)]22 sowie Kristallstruktur von trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2 / Vibrational Spectra and Normal Coordinate Analysis of the Dioxoosmates(VI) trans-[OsO2(CN)4]2-, trans-[OsO2 (CN)2(OH)]22- and trans-[OsO2(CN)2(OCH3]22- , and Crystal Structure of trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2

1999 ◽  
Vol 54 (9) ◽  
pp. 1109-1115
Author(s):  
A. Strueß ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
X Ray ◽  
Ir And Raman

The crystal structure of trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2 (triclinic, space group P1̄, a = 11.816(2), b = 13.480(3), c = 13.610(5) Å, α = 83.46(2), ß = 77.09(2), γ = 71.06(2)°, Z = 1) has been determined by single crystal X-ray diffraction analysis. The IR and Raman spectra of the (n-Bu4N)-salts of trans-[OsO2(CN)4]2- (1), trans-[OsO2(CN)2(OH)]22- (2) and trans-[OsO2(CN)2(OCH3)]22- (3) were measured at room temperature. Based on the molecular parameters of the X-ray determination normal coordinate analyses have been performed and the vibrations are assigned. The valence force constants of 1 are fd(Os=O) = 6.5, fd(Os-C) = 2.62 and fd(C≡N ) = 16.85 mdyn/A, of 2 and 3 are fd(Os=O) = 6.7, fd(Os-C) = 2.55 and fd(C≡N ) = 16.95 mdyn/Å. fd(Os-O) ranges from 2.0 - 2.2 and for the methoxy bridge is fd(C-O) = 4.00 mdyn/Å

A Three-dimensional Manganese(II) 1,2,4-Benzenetricarboxylate Hydroxide Framework with Mn–O Inorganic Sheets: Hydrothermal Synthesis and Crystal Structure

2008 ◽  
Vol 63 (11) ◽  
pp. 1339-1342 ◽  
Author(s):  
Shuxi Zhou ◽  
Yanxiong Ke ◽  
Hongliang Zou ◽  
Tianhua Liu ◽  
Fang Zhu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Transition Metal Ions ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
3D Framework

Abstract Utilizing unsymmetrical 1,2,4-benzenetricarboxylate (1,2,4-BTC) as a ligand, a complex [Mn2.5(1,2,4-BTC)- (OH)2(H2O)] was synthesized by hydrothermal reaction and characterized by single crystal X-ray diffraction. The coordination polymer crystallizes in the triclinic space group P1̅, with cell parameters a = 5.7702(5), b = 8.0269(6), c = 12.1378(9) Å, α = 88.000(1)°, β = 81.493(1)◦, γ = 88.569(1)°, and Z = 2. In the the crystal, there are Mn- O-Mn sheets which are further connected through the 1,2,4-BTC ligands into a 3D framework, which is rare in the coordination chemistry originating from transition metal ions and unsymmetrical polycarboxylates.

scholarly journals The crystal structure and spectroscopic properties of catena- (2-methylimidazolium bis(μ2-chloro)-aqua-chloromanganese(II))

2011 ◽  
Vol 76 (2) ◽  
pp. 235-247 ◽  
Author(s):  
Barbara Hachuła ◽  
Monika Pędras ◽  
Maria Nowak ◽  
Joachim Kusz ◽  
Danuta Pentak ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Layer Structure ◽  
Three Dimensional ◽  
Spectroscopic Properties ◽  
Chloride Anion ◽  
Monoclinic Space Group ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters

? novel manganese(II) coordination polymer, catena-(2- methylimidazolium bis(?2-chloro)-aqua-chloromanganese(II)), {(C4H7N2)[MnCl3(H2O)]}n, was synthesized, structurally characterized by FTIR spectroscopy and confirmed by single crystal X-ray diffraction analysis. Thermogravimetric analysis and EPR spectroscopy of the compound were also performed. The colourless crystals of the complex were monoclinic, space group P21/c, with the cell parameters a = 11.298(2) ?, b = 7.2485(14) ?, c = 14.709(5) ?, ? = 128.861(18)?, V = 938.0(5) ?3, Z = 4 and R1 = 0.03. The title compound consisted of onedimensional infinite anionic chains [MnCl3(H2O)]n and isolated 2- methylimidazolium cations. The Mn(II) atom was octahedrally coordinated to four bridging chloride anions [Mn-Cl = 2.5109(6) - 2.5688(7) ?], one terminal chloride anion [Mn-Cl = 2.5068(11) ?] and a H2O molecule [Mn-O = 2.2351(17) ?]. A three-dimensional layer structure was constructed via hydrogen bonds and by weak ?-? stacking interactions. A four-step thermal decomposition occurred in the temperature range 25-900?C under nitrogen.

The crystal structure of arsenopalladinite, Pd8As2.5Sb0.5, and its relation to mertieite-II, Pd8Sb2.5As0.5

2020 ◽  
Vol 84 (5) ◽  
pp. 746-752
Author(s):  
Oxana V. Karimova ◽  
Andrey A. Zolotarev ◽  
Bo S. Johanson ◽  
Tatiyana L. Evstigneeva
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Unit Cell ◽  
Stacking Sequence ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Finnish Lapland

AbstractThe crystal structure of arsenopalladinite, Pd8As2.5Sb0.5, from the Kaarreoja River, Inari commune, Finnish Lapland, Finland, was solved to R1 = 0.0451 on the basis of single-crystal X-ray diffraction data. The mineral is triclinic, space group P$\bar{1}$. The unit-cell parameters are: a = 7.3344(7), b = 7.3870(8), c = 7.5255(7) Å, α = 98.869(8), β = 102.566(8), γ = 119.096(11)°, V = 331.19(7) Å3 and Z = 2. The crystal structure of arsenopalladinite consists of an alternation of layers made by pnictogen (As, Sb) and layers made by palladium atoms stacked along the c axis. Arsenic and (As, Sb) nets exhibit a triangular topology (A and D nets), whereas palladium layers show triangular or pentagon–triangular nets (B and C nets). The unit-cell contains 6 layers, with the ABCDCBA stacking sequence. Although arsenopalladinite shows characteristics very similar (nets of the same topology) to the closely-related mineral mertieite-II, Pd8Sb2.5As0.5, it has a different stacking sequence.

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