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Crystal structures and conformers of CyMe4-BTBP

. Inorg. Chem., 52(7), 3429-3444. DOI: 10.1021/ic301599y. 4. Steppert, M., Císař ová , I., Fanghä nel, T., Geist, A., Lindqvist-Reis, P., Panak, P., Š tě pnič ka, P., Trumm, S., & Walther, C. (2012). Complexation of europium(III) by bis(dialkyltriazinyl)bipyridines in 1-octanol. Inorg. Chem., 51(1), 591-600. DOI: 10.1021/ic202119x. 5. Lundberg, D., Persson, I., & Ekberg, C. (2013). Crystal structure of [Eu(CyMe4-BTBP)2κ2O,O’-(NO3)] (NO3)2·n-C8H17OH and its structure in 1-octanol solution. Dalton Trans., 42(11), 3767-3770. DOI: 10.1039/C2

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Synthesis, crystal structure and magnetism of [Cu(cyclam)Ni(NCS)4(H2O)2]n

References Bernstein J, Davis RE, Shimoni L, Chang N-L (1995) Patterns in hydrogen bonding: Functionality and graph set analysis in crystals. Angew. Chem. Int. Ed. Eng. 34: 1555-1573. Bieńko A, Kłak J, Mroziński J, Domagała S, Korybut- Daszkiewicz B, Woźniak K (2007) Magnetism and crystal structures of (CuMnII)-Mn-II and (CuNiII)- Ni-II ordered bimetallic chains. Polyhedron 26: 5030-5038. Brandenburg K (2008) Diamond. Crystal Impact (version 3.1f) GbR, Bonn, Germany. Černák J, Kuchár J

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Synthesis, Crystal Structure and Spectral Properties of Copper(II) 2-Chloronicotinato Complexes with N-Heterocyclic Ligands

, 2012, 1953-1969. JIN, S.W, YE, X.H, JIN, L., ZHENG, L., LI, J.W., JIN, B.P., WANG, D.Q.: Syntheses and structural characterization of nine coordination compounds assembled from copper acetate, 3,5-dimethylpyrazole and carboxylates. Polyhedron, 81, 2014, 382-395. JIN, S.W, LIU, H., CHEN, G.Q., AN, Z.Y., LOU, Y.L., HUANG, K., WANG, D.Q.: Syntheses and crystal structures of copper(II), zinc(II) and cadmium(II) complexes containing pyridine, quinoline and 2-methylquinoline. Polyhedron, 95, 2015, 91-107. KATO, M., MUTO, Y.: Factors affecting the magnetic

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Synthesis and Characterization of Platinum (IV) complexes with S-alkyl Derivatives of Thiosalicylic Acid and the Crystal Structure of the S-butyl Derivative of Thiosalicylic Acid

(II) complexes with some alkyl derivates of thiosalicylic acids. Crystal structure of bis(S-benzyl-thiosalicylate)-palladium(II) complex, [Pd(S-bz-thiosal)2]. Polyhedron. 2012; 31: 69-76. 16. Smith DJ, Yap GP, Kelley JA, Schneider JP. Enhanced stereoselectivity of a Cu(II) complex chiral auxiliary in the synthesis of Fmoc-L-γ-carboxyglutamic acid. J Org Chem. 2011; 76(6): 1513-20. 17. Agilent, CrysAlis PRO, Agilent Technologies, Yarnton, Oxfordshire, England (2010) 18. (a) Altomare A, Burla MC, Cavalli M, Cascarano G, Giacovazzo

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Crystal structure and spectroscopic properties of 4-acetaminopyridine and its protonated form

. Anal. 43, 83-88. Ivanova, B. & Mayer-Figge, H. (2005). Crystal structure and Solid state IR-LD spectral analysis of new mononuclear Cu(II) complex with 4-aminopyridine. J. Coord. Chem. 58, 653-659. Ivanova, B., Arnaudov, M. & Mayer-Figge, H. Molecular spectral analysis and crystal structure of 4-aminopyridinium tetrachloropalladate(II) complex salt. (2005). Polyhedron 24(13), 1624-1630. Koleva, B., Trendafilova, E., Arnaudov, M., Sheldrick, W. S. & Mayer-Figge, H. (2006). Structural

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Synthesis, crystal structure, infrared spectrum, and thermal properties of [Ni(1,10-phenanthroline)3](fumarate)·9H2O complex with hydrogen bonded supramolecular layers involving fumarate anions

Abstract

From the aqueous-ethanolic system Ni(OH)2—H2 fumphen (H2fum = fumaric acid, phen = 1,10-phenanthroline), novel complex [Ni(phen)3](fum)·9H2O (1) was isolated and characterized by chemical analyses and FT-IR spectroscopy. Results of single crystal X-ray structure analysis have shown that the ionic crystal structure of 1 is built of [Ni(phen)3]2+ complex cations, fumarate dianions and nine crystallographically independent water molecules of crystallization. The Ni(II) atom exhibits hexa-coordination by three phen ligands with mean Ni-N bond length of 2.090 Å. Water molecules form hydrophilic supramolecular layers with fumarate dianions via extended network of O—H···O type hydrogen bonds with O···O distances from the range of 2.676(2)—2. 916(2) Å; hydrophobic complex cations are embedded between these layers. Thermal study of 1 has shown that endothermic dehydration in the temperature range of 95—195 °C takes at least two steps of the process.

Graphical Abstract

Crystal structure of [Ni(phen)3]fum·9H2O (phen = 1,10-phenanthroline; H2 fum = fumaric acid) which is built of supramolecular layers formed by hydrogen bonded water solvate molecules and fum dianions and between the supramolecular layers embedded [Ni(phen)3]2+ complex cations is described here.

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Structural, optical and dielectric studies of lithium sulphate monohydrate single crystals

1 Introduction Materials possessing pyroelectric, piezoelectric and nonliear optical properties have been given immense interest over recent years. Nonlinear optical (NLO) materials play an important role in optical communication, laser technology, frequency conversion and data storage technology [ 1 – 6 ]. Zeiler [7] first determined the crystal structure of lithium sulphate monohydrate (LSMH) without localization of hydrogen atoms, which was later confirmed by Larson et al. [8] . The structural knowledge of LSMH was completed by Ozerov et al. [9

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Comparison of different absorption corrections on the model structure of tetrakis(μ2-acetato)-diaqua-di-copper(II)

Abstract

Two different absorption correction methods were compared in order to find out which method is preferable to improve solving and refining a crystal structure. Experiments were performed on the crystal of a tetrakis(μ2-acetato)-diaqua-di-copper(II) complex. The first correction method used was the numerical absorption correction with the aid of a crystal-shape model, and the other was the semi-empirical one, applying scaling routines to the intensity data.

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Influence of Dopants on Structure of Polycrystalline Bismuth Niobate

. A. Lisinska-Czekaj, D. Czekaj, J. Plewa, Influence of processing conditions on crystal structure of BiNbO 4 ceramics, Ciencia & Tecnologia dos Materiais 29 (2017) e215-e218 16. MATCH! Version 2.0.11, CRYSTAL IMPACT, Postfach 1251, 53002 Bonn, Germany (URL: http://www.crystalimpact.com/match ) 17. ISCD Database, FIZ Karlsruhe, (URL.: http://www.fiz-karlsruhe.de ) 18. International Centre for Diffraction Data, 12 Campus Boulevard, Newton Square, PA 19073-3273 U.S.A.; (URL: http://www.icdd.com ) 19. IUCr/COD/AMCSD Database (URL.: http

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Biological Activity, Structural Characterization and Crystal Packing of Chromane-Carboxylate Derivatives

Abstract

We report here the crystal and molecular structure of a new chromane-derivative, namely isopropyl( 2R*,3S*,4S*)-4-(benzo[d]thiazol-2-ylamino)-2-hydroxy-2-ethylchromane-3-carboxylate (I), C21H22N2O4S, which crystallizes as racemate in the space group C2/c. Its structure has been solved using X-ray diffraction data obtained at low temperature (100(2) K). In this compound, the chromane moiety consists of a benzene ring fused with a six-membered heterocyclic ring which adopts a distorted half-chair conformation. The molecules are linked by a combination of O-H∙∙∙N and N-H∙∙∙O hydrogen bonds, resulting in a twodimensional network which helps stabilizing the crystal structure of the compound (I). Dihedral angle between the chromane and benzothiazol rings is 80.6(1)0.

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