In chemistry, water(s) of crystallization or water(s) of hydration are water molecules that are present inside crystals. Water is often incorporated in the formation of crystals from aqueous solutions. In some contexts, water of crystallization is the total mass of water in a substance at a given temperature and is mostly present in a definite (stoichiometric) ratio. Classically, "water of crystallization" refers to water that is found in the crystalline framework of a metal complex or a salt, which is not directly bonded to the metal cation.
Tetraamminecopper(II) sulfate is the salt with the formula [Cu(NH3)4]SO4·H2O. This dark blue to purple solid is a salt of the metal complex [Cu(NH3)4(H2O)]2+. It is closely related to Schweizer's reagent, which is used for the production of cellulose fibers in the production of rayon.
Copper(II) acetate, also referred to as cupric acetate, is the chemical compound with the formula Cu(OAc)2 where AcO− is acetate (CH
3CO−
2). The hydrated derivative, Cu2(OAc)4(H2O)2, which contains one molecule of water for each copper atom, is available commercially. Anhydrous copper(II) acetate is a dark green crystalline solid, whereas Cu2(OAc)4(H2O)2 is more bluish-green. Since ancient times, copper acetates of some form have been used as fungicides and green pigments. Today, copper acetates are used as reagents for the synthesis of various inorganic and organic compounds. Copper acetate, like all copper compounds, emits a blue-green glow in a flame. The mineral hoganite is a naturally occurring form of copper(II) acetate. A related mineral, also containing calcium, is paceite. Both are very rare.
Uranyl chloride refers to inorganic compounds with the formula UO2Cl2(H2O)n where n = 0, 1, or 3. These are yellow-colored solids.
Jack David Dunitz FRS was a British chemist and widely known chemical crystallographer. He was Professor of Chemical Crystallography at the ETH Zurich from 1957 until his official retirement in 1990. He held Visiting Professorships in the United States, Israel, Japan, Canada, Spain and the United Kingdom.
Cupferron is jargon for the ammonium salt of the conjugate base derived from N-nitroso-N-phenylhydroxylamine. It once was a common reagent for the complexation of metal ions, being of interest in the area of qualitative inorganic analysis. Its formula is NH4[C6H5N(O)NO]. The anion binds to metal cations through the two oxygen atoms, forming five-membered chelate rings.
Indium(III) sulfate (In2(SO4)3) is a sulfate salt of the metal indium. It is a sesquisulfate, meaning that the sulfate group occurs 11/2 times as much as the metal. It may be formed by the reaction of indium, its oxide, or its carbonate with sulfuric acid. An excess of strong acid is required, otherwise insoluble basic salts are formed. As a solid indium sulfate can be anhydrous, or take the form of a pentahydrate with five water molecules or a nonahydrate with nine molecules of water. Indium sulfate is used in the production of indium or indium containing substances. Indium sulfate also can be found in basic salts, acidic salts or double salts including indium alum.
Nickel nitrate is the inorganic compound Ni(NO3)2 or any hydrate thereof. The anhydrous form is not commonly encountered, thus "nickel nitrate" usually refers to nickel(II) nitrate hexahydrate. The formula for this species is written in two ways: Ni(NO3)2.6H2O and, more descriptively [Ni(H2O)6](NO3)2. The latter formula indicates that the nickel(II) center is surrounded by six water molecules in this hydrated salt. In the hexahydrate, the nitrate anions are not bonded to nickel. Also known are three other hydrates: Ni(NO3)2.9H2O, Ni(NO3)2.4H2O, and Ni(NO3)2.2H2O. Anhydrous Ni(NO3)2 is also known.
Mercury(I) sulfate, commonly called mercurous sulphate (UK) or mercurous sulfate (US) is the chemical compound Hg2SO4. Mercury(I) sulfate is a metallic compound that is a white, pale yellow or beige powder. It is a metallic salt of sulfuric acid formed by replacing both hydrogen atoms with mercury(I). It is highly toxic; it could be fatal if inhaled, ingested, or absorbed by skin.
Tutton's salts are a family of salts with the formula M2M'(SO4)2(H2O)6 (sulfates) or M2M'(SeO4)2(H2O)6 (selenates). These materials are double salts, which means that they contain two different cations, M+ and M'2+ crystallized in the same regular ionic lattice. The univalent cation can be potassium, rubidium, cesium, ammonium (NH4), deuterated ammonium (ND4) or thallium. Sodium or lithium ions are too small. The divalent cation can be magnesium, vanadium, chromium, manganese, iron, cobalt, nickel, copper, zinc or cadmium. In addition to sulfate and selenate, the divalent anion can be chromate (CrO42−), tetrafluoroberyllate (BeF42−), hydrogenphosphate (HPO42−) or monofluorophosphate (PO3F2−). Tutton's salts crystallize in the monoclinic space group P21/a. The robustness is the result of the complementary hydrogen-bonding between the tetrahedral anions and cations as well their interactions with the metal aquo complex [M(H2O)6]2+.
Acta Crystallographica is a series of peer-reviewed scientific journals, with articles centred on crystallography, published by the International Union of Crystallography (IUCr). Originally established in 1948 as a single journal called Acta Crystallographica, there are now six independent Acta Crystallographica titles:
A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals. Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules. They are characterized by symmetry, morphology, and directionally dependent physical properties. A crystal structure describes the arrangement of atoms, ions, or molecules in a crystal.
Langbeinites are a family of crystalline substances based on the structure of langbeinite with general formula M2M'2(SO4)3, where M is a large univalent cation, and M' is a small divalent cation. The sulfate group, SO2−4, can be substituted by other tetrahedral anions with a double negative charge such as tetrafluoroberyllate, selenate, chromate, molybdate, or tungstates. Although monofluorophosphates are predicted, they have not been described. By redistributing charges other anions with the same shape such as phosphate also form langbeinite structures. In these the M' atom must have a greater charge to balance the extra three negative charges.
Monofluorophosphate is an anion with the formula PO3F2−, which is a phosphate group with one oxygen atom substituted with a fluoride atom. The charge of the ion is −2. The ion resembles sulfate in size, shape and charge, and can thus form compounds with the same structure as sulfates. These include Tutton's salts and langbeinites. The most well-known compound of monofluorophosphate is sodium monofluorophosphate, commonly used in toothpaste.
The Disordered Structure Refinement program (DSR), written by Daniel Kratzert, is designed to simplify the modeling of molecular disorder in crystal structures using SHELXL by George M. Sheldrick. It has a database of approximately 120 standard solvent molecules and molecular moieties. These can be inserted into the crystal structure with little effort, while at the same time chemically meaningful binding and angular restraints are set. DSR was developed because the previous description of disorder in crystal structures with SHELXL was very lengthy and error-prone. Instead of editing large text files manually and defining restraints manually, this process is automated with DSR.
The Nickel oxyacid salts are a class of chemical compounds of nickel with an oxyacid. The compounds include a number of minerals and industrially important nickel compounds.
The sulfate nitrates are a family of double salts that contain both sulfate and nitrate ions (NO3−, SO42−). They are in the class of mixed anion compounds. A few rare minerals are in this class. Two sulfate nitrates are in the class of anthropogenic compounds, accidentally made as a result of human activities in fertilizers that are a mix of ammonium nitrate and ammonium sulfate, and also in the atmosphere as polluting ammonia, nitrogen dioxide, and sulfur dioxide react with the oxygen and water there to form solid particles. The nitro group (NO3−) can act as a ligand, and complexes containing it can form salts with sulfate.
Karin Aurivillius (1920–1982) was a Swedish chemist and crystallographer at the University of Lund, Sweden. She determined the crystal structures of many mercury compounds.
A tellurite tellurate is a chemical compound or salt that contains tellurite and tellurate anions (TeO32- and TeO42-). These are mixed anion compounds. Some have third anions.
A transition metal nitrate complex is a coordination compound containing one or more nitrate ligands. Such complexes are common starting reagents for the preparation of other compounds.
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