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The structure of the pyridine complex has been determined crystallographically. [2] Adducts with other N-heterocycles have also been characterized similarly. [3] Aqueous chromium(VI) oxide peroxide decomposes in a few seconds, turning green as chromium(III) compounds are formed. [4] 2 CrO(O 2) 2 + 7 H 2 O 2 + 6 H + → 2 Cr 3+ + 10 H 2 O + 7 O 2
Similar to the ideal hcp structure, the perfect dhcp structure should have a lattice parameter ratio of = In the real dhcp structures of 5 lanthanides (including β-Ce) / variates between 1.596 (Pm) and 1.6128 (Nd). For the four known actinides dhcp lattices the corresponding number vary between 1.620 (Bk) and 1.625 (Cf).
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Chromium(III) tends to form octahedral complexes. Commercially available chromium(III) chloride hydrate is the dark green complex [CrCl 2 (H 2 O) 4 ]Cl. Closely related compounds are the pale green [CrCl(H 2 O) 5 ]Cl 2 and violet [Cr(H 2 O) 6 ]Cl 3 .
Computational Chemistry Comparison and Benchmark DataBase National Institute of Standards and Technology: gas phase molecules "CCCDBD" 2069 CCRIS Chemical Carcinogenesis Research Information System National Library of Medicine substances that affect tumors CCRIS from primary literature, reviewed by experts "CCRIS subset of PubChem". 9562 [1] [2]
The structure of chromocene has been verified by X-ray crystallography.The average Cr–C bond length is 215.1(13) pm. [6] Each molecule contains an atom of chromium bound between two planar systems of five carbon atoms known as cyclopentadienyl (Cp) rings in a sandwich arrangement, which is the reason its formula is often abbreviated as Cp 2 Cr.
GAMESS (US) can perform several general computational chemistry calculations, including Hartree–Fock method, density functional theory (DFT), generalized valence bond (GVB), and multi-configurational self-consistent field (MCSCF).
ISIS/Draw retained its own proprietary file formats with the extension .skc (sketch file) and .rxn (for reactions) and because of its role in preparing database queries it supported a variety of special atom and bond types used for substructure searching, such as wildcard atoms, aromatic bonds, ring bonds, and the atom mapping required for ...