Silicotungstic acid single crystal data cif file download

Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure: Silicon: Wyckoff R W G: Crystal Structures 1 () Second edition. Interscience Publishers, New York, New York: Sample at T = K _database_code_amcsd 90 90 [(n-C4H9)4N]2[Mo6O18(NC10HCH3)] (1) has been prepared by the reaction of 1-aminomethylnaphthalene hydrochloride with [(n-C4H9)4N]4[α-Mo8O26] in the presence of 1,3-dicyclohexylcarbodiimide. Three solvent-free crystalline phases are isolated from the mixed solvents of acetone and acetic ether. The X-ray single-crystal structures of the three phases have been . Both complexes have been characterized by single-crystal X-ray diffraction (CIF file CCDC nos. (I) and (II)). In complex I, the adjacent metal centers are interconnected via L

The crystal data of 1 were collected on a Bruker SMART CCD diffractometer with Mo K α radiation (λ = Å) at K. The structures were solved by the direct methods and refined by the full-matrix least-squares method on F 2 with the SHELXTL crystallographic software package. Anisotropic thermal parameters were used to refine non-hydrogen atoms. I have a cif file available for CAUH (Al based MOF with Benzene di carboxylic acid as the linker), I would like to replace the linker by 2,5 Furandicarboxylic acid to obtain crystal structure. The results of a single-crystal structure determination when in CIF format can now be validated routinely by automatic procedures. In this way, many errors in published papers can be avoided. The validation software generates a set of ALERTS detailing issues to be addressed by the experimenter, author, referee and publication journal.

File tree layout. The data in the COD are stored in the Crystallographic Interchange File/Framework (CIF) format, one structure per file. A file name is chosen to be the COD number of the corresponding structure. Each file contains all data necessary to describe the structure, interpret experimental data and find the corresponding publication(s). The International Union of Crystallography (IUCr) identified the general problem a decade ago and created as a first step the computer-readable Crystallographic Information File (CIF) standard for reporting, exchanging and archiving crystal structure data (Hall et al., ). Most current software packages can now generate such files. The result of a crystal structure determination has to be supplied as a CIF-formatted computer-readable file. The checking software tests the data in the CIF for completeness, quality and consistency.