scholarly journals 1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κP)nickelate(II) butan-1-ol hemisolvate

IUCrData ◽  
2021 ◽  
Vol 6 (8) ◽  
Author(s):  
Tim Peppel ◽  
Martin Köckerling
Keyword(s):  
Molecular Structure ◽  
Melting Point ◽  
Single Crystals ◽  
Alkyl Chain ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Solvent Free ◽  
The Other ◽  
Space Group ◽  
Dimensional Network

The solvated title salt, (C8H15N2)[NiBr3(P(C6H5)3)]·0.5C4H10O, was obtained in the form of single crystals directly from the reaction mixture. The molecular structure consists of separated 1-butyl-3-methylimidazolium cations, tribromido(triphenylphosphane)nickelate(II) anions and half a solvent molecule of 1-butanol, all connected via multiple hydrogen contacts to form a three-dimensional network. The co-crystallized 1-butanol molecule is disordered and adopts two orientations. The central C—C bonds of both orientations are located on an inversion centre (Wyckoff site 2b of space group P21/n). Thereby, each orientation has again two orientations with the OH group being located either on one or the other side of the C4 alkyl chain. The dried solvent-free compound exhibits a relatively low melting point (m.p. = 412 K).

Li9Yb2[PS4]5 and Li6Yb3[PS4]5: two lithium-containing ytterbium(III) thiophosphates(V) revisited

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Pia L. Lange ◽  
Thomas Schleid
Keyword(s):  
Single Crystals ◽  
General Formula ◽  
Elemental Sulfur ◽  
Elevated Temperatures ◽  
Three Dimensional ◽  
Structure Type ◽  
Framework Structure ◽  
Red Phosphorus ◽  
Space Group ◽  
Dimensional Network

Abstract The lithium ytterbium ortho-thiophosphates Li9Yb2[PS4]5 and Li6Yb3[PS4]5 were prepared through the reaction of stoichiometric amounts of ytterbium metal, elemental sulfur, red phosphorus and lithium hemisulfide at elevated temperatures in sealed silica tubes. The compounds occur as dark red single crystals which crystallize monoclinically in space group C2/c with the lattice parameters a = 1487.98(9), b = 978.63(6), c = 2046.75(12) pm and β = 96.142(3)° for Li9Yb2[PS4]5 (Z = 4) and a = 2814.83(16), b = 997.34(6), c = 3338.52(19) pm and β = 113.685(3)° for Li6Yb3[PS4]5 (Z = 12). Li9Yb2[PS4]5 can be assigned to the structure type of Li9Nd2[PS4]5, whereas the structure of Li6Yb3[PS4]5 the structure is similar to that of the prototypic Li6Gd3[PS4]5. Both structures feature discrete [PS4]3– tetrahedra (d(P–S) = 202–207 pm) and strands of [YbS8]13− polyhedra (d(Yb–S) = 271–319 pm) propagating along [010]. When attributed to the general formula (Li3[PS4]) x (Yb[PS4]) y , ideas of the dimensionality of both structures can be derived. Whilst the lithium-richer Li9Yb2[PS4]5 (x/y = 1.5) develops planes with the composition   ∞ 2 { [ Y b [ P S 4 ] 3 ] 6 − } ${}_{\infty }^{2}\left\{{\left[\mathrm{Y}\mathrm{b}{\left[\mathrm{P}{\mathrm{S}}_{4}\right]}_{3}\right]}^{6-}\right\}$ , Li6Yb3[PS4]5 (x/y = 0.667) exhibits a rather complex three-dimensional network of ytterbium-centered polyhedra connected via [PS4]3– tetrahedra with lithium cations in the framework structure   ∞ 3 { [ Y b 3 [ P S 4 ] 5 ] 6 − } ${}_{\infty }^{3}\left\{{\left[\mathrm{Y}{\mathrm{b}}_{\mathrm{3}}{\left[\mathrm{P}{\mathrm{S}}_{4}\right]}_{5}\right]}^{6-}\right\}$ . These Li+ cations are hard to locate in both compounds, but reside in four- to sixfold sulfur coordination (d(Li–S) = 235–304 pm). Some Li+ positions are underoccupied and some Li+ cations share sites with Yb3+ cations in Li6Yb3[PS4]5, and even in Li9Yb2[PS4]5 their high displacement values suggest Li+ cation mobility. According to the empirical formulae, three Li+ cations have to be replaced with one Yb3+ cation to reach the lithium-poorer compound and structure (Li6Yb3[PS4]5) starting from the lithium-richer one (Li9Yb2[PS4]5).

Ce2[MoO5][MoO4] and Ce5[MoO4]8: Two New Cerium Oxomolybdates, Each Exhibiting a Special Structural Feature

2011 ◽  
Vol 66 (8) ◽  
pp. 763-770
Author(s):  
Tanja Schustereit ◽  
Thomas Schleid ◽  
Ingo Hartenbach
Keyword(s):  
Structural Feature ◽  
Negative Charge ◽  
Three Dimensional ◽  
The Other ◽  
Mixed Valency ◽  
Space Group ◽  
Coordination Numbers ◽  
Trigonal Bipyramidal ◽  
Dimensional Network ◽  
Bond Valence Analysis

Ce2[MoO5][MoO4] crystallizes monoclinically in space group P21/c (a = 2241.98(9), b = 712.95(3), c = 2044.19(8) pm, β = 116.936(2), Z = 16). Besides eight crystallographically different Ce3+ cations with coordination numbers ranging from seven plus one to ten, its structure contains two isolated oxomolybdate(VI) species, namely [MoO4]2− tetrahedra and [MoO5]4− trigonal bipyramids and square pyramids. The oxygen polyhedra around the Ce3+ cations build up a three-dimensional ∞3 {[Ce2O9]12−} network by vertex-, edge-, and face-connections with the Mo6+ cations residing in tetrahedral, square-pyramidal, and trigonal-bipyramidal voids therein. Ce5[MoO4]8 also crystallizes monoclinically in space group P21/c (a = 1133.14(5), b = 1704.96(7), c = 1406.21(6) pm, β = 90.749(2)° Z = 4). In its structure eight isolated [MoO4]2− tetrahedra are present, which display an overall negative charge of −16. To maintain electroneutrality, mixed-valency of the five crystallographically independent cerium cations must be considered. A thorough bond-valence analysis reveals cerium at the Ce1 site as tetravalent, while the other four cerium cations prove to be trivalent. The polyhedra around all cerium cations form chains with a V-shaped profile along [100] via vertex-, edge-, and face-connections to result in a sawblade pattern. These chains are interlocked into sheets parallel to the (001) plane and linked by the Mo6+ cations to form a three-dimensional network.

scholarly journals Ca5Zr3F22

2012 ◽  
Vol 68 (4) ◽  
pp. i23-i23 ◽  
Author(s):  
Abdelghani Oudahmane ◽  
Malika El-Ghozzi ◽  
Daniel Avignant
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Solid State Reaction ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Site Symmetry ◽  
Coordination Numbers ◽  
Rotation Axes ◽  
Dimensional Network

Single crystals of Ca5Zr3F22, pentacalcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF2and ZrF4in the presence of AgF. The structure of the title compound is isotypic with that of Sr5Zr3F22and can be described as being composed of layers with composition [Zr3F20]8−made up from two different [ZrF8]4−square antiprisms (one with site symmetry 2) by corner-sharing. The layers extending parallel to the (001) plane are further linked by Ca2+cations, forming a three-dimensional network. Amongst the four crystallographically different Ca2+ions, three are located on twofold rotation axes. The Ca2+ions exhibit coordination numbers ranging from 8 to 12, depending on the cut off, with very distorted fluorine environments. Two of the Ca2+ions occupy interstices between the layers whereas the other two are located in void spaces of the [Zr3F20]8−layer and alternate with the two Zr atoms along [010]. The crystal under investigation was an inversion twin.

scholarly journals La3Si6N11

2014 ◽  
Vol 70 (6) ◽  
pp. i23-i24 ◽  
Author(s):  
Hisanori Yamane ◽  
Toshiki Nagura ◽  
Tomohiro Miyazaki
Keyword(s):  
Single Crystals ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Unit Cell ◽  
The Other ◽  
Tetragonal Unit Cell ◽  
Dimensional Network

Colorless transparent single crystals of trilanthanum hexasilicon undecanitrogen, La3Si6N11, were prepared at 0.85 MPa of N2and 2273 K. The title compound is isotypic with Sm3Si6N11. Silicon-centered nitrogen tetrahedra form a three-dimensional network structure by sharing their corners. Layers of one type of SiN4tetrahedra and slabs composed of the two different La3+cations and the other type of SiN4tetrahedra are alternately stacked along thecaxis of the tetragonal unit cell. The site symmetries of the two La3+cations are are ..mand 4.., respectively.

New Intermetallic Zinc Compounds with Ordering Variants of the KHg2 and LT-SrZn5 Type

2014 ◽  
Vol 69 (6) ◽  
pp. 674-680 ◽  
Author(s):  
Christian Schwickert ◽  
Rainer Pöttgen
Keyword(s):  
Transition Metal ◽  
Single Crystal ◽  
Single Crystals ◽  
Coordination Number ◽  
Induction Furnace ◽  
Three Dimensional ◽  
Zinc Compounds ◽  
Space Group ◽  
X Ray ◽  
Dimensional Network

The intermetallic zinc compounds CaAuZn, SrPdZn, SrPtZn, SrAuZn, BaPd1.57 Zn3.43, and BaAu1.41Zn3.59 were synthesized from the elements in sealed niobium ampoules in an induction furnace. The equiatomic compounds crystallize with the orthorhombic TiNiSi-type structure, space group Pnma. Single-crystal X-ray data exhibited small degrees of Au=Zn mixing within the three-dimensional [AuZn] networks and resulted in the compositions CaAu1.02Zn0.98 and SrAu1.03Zn0.97 for two investigated single crystals. BaPd1.57 Zn3.43 and BaAu1.41 Zn3.59 adopt partially ordered versions of the LT-SrZn5 type, space group Pnma. Both structures were refined on the basis of X-ray single-crystal diffractometer data. a=1331.13(6), b=531.45(3), c=682.20(4) pm, wR=0.0245, 1138 F2 values, 39 variables for BaPd1.57Zn3.43 and a=1344.35(2), b=537.47(2), c=691.22(4) pm, wR=0.0441, 931 F2 values, 37 refined variables for BaAu1.41Zn3.59. The transition metal and zinc atoms form a complex three-dimensional network of (T, Zn)4 tetrahedra which are condensed via common corners and T/Zn-T/Zn bonds. Large cavities within these networks are filled by the barium atoms which have coordination number 19, i. e. Ba@(T, Zn)17Ba2.

Protoenstatite: a crystal-structure refinement at 1100°C

1971 ◽  
Vol 134 (3-4) ◽  
Author(s):  
Joseph R. Smyth
Keyword(s):  
Crystal Structure ◽  
Melting Point ◽  
Single Crystal ◽  
Structure Refinement ◽  
Three Dimensional ◽  
Intensity Data ◽  
Crystal Structure Refinement ◽  
Space Group

AbstractTechniques allowing single-crystal investigations on the precession camera up to the melting point of platinum have been developed. The crystal structure of protoenstatite has been refined from three-dimensional intensity data obtained at 1100°C using a crystal of enstatite from the Norton County, Kansas meteorite. The space group is

scholarly journals Crystal structure of (+)-(1S,5S,6S,7S,10S,11S,16S)-16-hydroxy-7-(methoxymethoxy)-11,15,18,18-tetramethyl-3,13-dioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-10-yl benzoate

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Takeshi Oishi ◽  
Keisuke Fukaya ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Molecular Conformation ◽  
Three Dimensional ◽  
The Other ◽  
Helical Chain ◽  
Compound C ◽  
Dimensional Network ◽  
Twist Conformation ◽  
Tetracyclic System ◽  
The Mean ◽  
Graph Set

In the fused tetracyclic system of the title compound, C29H36O9, the five-membered dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of the other three atoms by −0.252 (6) and 0.340 (6) Å. The cyclohexane, cyclohexene and central cyclooctane rings show chair, half-chair and boat-chair forms, respectively. There are three intramolecular C—H...O interactions supporting the molecular conformation, with one S(6) and two S(7) graph-set motifs. In the crystal, intermolecular O—H...O hydrogen bonds connect the molecules into a helical chain running along the c-axis direction, generating a C(7) graph-set motif. The chains are further linked by intermolecular C—H...O interactions to construct a three-dimensional network. There is no valid C—H...π interaction.

scholarly journals Synthesis and structural characterization of hexa-μ2-chlorido-μ4-oxido-tetrakis{[4-(phenylethynyl)pyridine-κN]copper(II)} dichloromethane monosolvate

2021 ◽  
Vol 77 (1) ◽  
pp. 42-46
Author(s):  
Rayya A. Al Balushi ◽  
Muhammad S. Khan ◽  
Md. Serajul Haque Faizi ◽  
Ashanul Haque ◽  
Kieran Molloy ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structural Characterization ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
The Core ◽  
Dimensional Network ◽  
Packing Arrangement

In the crystal structure of the title compound, [Cu4Cl6O(C13H9N)4]·CH2Cl2, the core molecular structure consists of a Cu4 tetrahedron with a central interstitial O atom. Each edge of the Cu4 tetrahedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one N atom of the 4-phenylethynylpyridine ligand. In the crystal, the molecules are linked by intermolecular C—H...Cl interactions. Furthermore, C—H...π and π–π interactions also connect the molecules, forming a three-dimensional network. Hirshfeld surface analysis indicates that the most important contributions for the packing arrangement are from H...H and C...H/H...C interactions.

scholarly journals (Z)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1H-indole

2013 ◽  
Vol 69 (12) ◽  
pp. o1781-o1781 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
A Chain

In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07 (8)° with the phenyl ring. The molecular structure is stabilized by a weak intramolecular C—H...O hydrogen bond. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a chain along [10-1]. C—H...π interactions are also observed, leading to a three-dimensional network.

scholarly journals Bis[tris(propane-1,3-diamine-κ2N,N′)nickel(II)] diaquabis(propane-1,3-diamine-κ2N,N′)nickel(II) hexabromide dihydrate

2014 ◽  
Vol 70 (6) ◽  
pp. m227-m228 ◽  
Author(s):  
Aymen Yangui ◽  
Walid Rekik ◽  
Slim Elleuch ◽  
Younes Abid
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
General Position ◽  
Three Dimensional ◽  
The Other ◽  
Octahedral Coordination ◽  
Water Molecules ◽  
Coordination Environment ◽  
Lattice Water ◽  
Dimensional Network

In the title compound, [Ni(C3H10N2)3]2[Ni(C3H10N2)2(H2O)2]Br6·2H2O, one Ni2+cation, located on an inversion centre, is coordinated by four N atoms from two ligands and by two water O atoms. The other Ni2+cation, located in a general position, is coordinated by six N atoms from three ligands. In both cases, the Ni2+cation has an octahedral coordination environment. The overall structural cohesion is ensured by three types of hydrogen bonds, N—H...Br, O—H...Br and O—H...O, which connect the two types of complex cations, the bromide counter-anions and the lattice water molecules into a three-dimensional network.

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