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Award ID contains: 2102576

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  1. The title compound, C8H18NO2+·Br·C8H17NO2, crystallizes as the bromide salt of a 50:50 mixture of (triethylazaniumyl)carboxylic acid and the zwitterionic (triethylazaniumyl)carboxylate. The two organic entities are linked by a half-occupied bridging carboxylic acid hydrogen atom that is hydrogen-bonded to the carboxylate group of the second molecule. The tetralkylammonium group adopts a nearly perfect tetrahedral shape around the nitrogen atom with bond lengths that agree with known values. The carboxylic acid/carboxylate group is orientedantito one of the ethyl groups on the ammonium group, and the carbonyl oxygen atom is engaged in intramolecular C—H...O hydrogen bonds. 
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  2. The molecular structure of the tripodal carbamoylmethylphosphine oxide compound diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate, C25H52N3O12P3, features six intramolecular hydrogen-bonding interactions. The phosphonate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P—O) and 1.7881 (16) to 1.7936 (16) Å (P—C). Each amide group adopts a nearly perfecttransgeometry, and the geometry around each phophorus atom resembles a slightly distorted tetrahedron. 
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  3. Four β-carbonylphosphine oxide compounds were complexed with four Ln(NO3)3salts (Ln = Sm, Eu, Tb, Dy). The Ln–ligand complexes were characterized in the solid state (IR, CHN) and as solutions in acetonitrile (NMR, LR-MS, photophysical properties). 
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  4. The molecular structure of tert -butyl 3,6-diiodocarbazole-9-carboxylate, C 17 H 15 I 2 NO 2 , features a nearly planar 13-membered carbazole ring with C—I bond lengths of 2.092 (4) and 2.104 (4) Å. The carbamate group has key bond lengths of 1.404 (6) Å (N—C), 1.330 (5) Å (O—C), and 1.201 (6) Å (C=O). The crystal contains intermolecular π–π interactions, as well as both type I and type II intermolecular I...I interactions. 
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  5. This paper compares variations on a structure model derived from an X-ray diffraction data set from a solid solution of chalcogenide derivatives of cis -1,2-bis(diphenylphosphanyl)ethylene, namely, 1,2-(ethene-1,2-diyl)bis(diphenylphoshpine sulfide/selenide), C 26 H 22 P 2 S 1.13 Se 0.87 . A sequence of processes are presented to ascertain the composition of the crystal, along with strategies for which aspects of the model to inspect to ensure a chemically and crystallographically realistic structure. Criteria include mis-matches between F obs 2 and F calc 2 , plots of | F obs | vs | F calc |, residual electron density, checkCIF alerts, pitfalls of the OMIT command used to suppress ill-fitting data, comparative size of displacement ellipsoids, and critical inspection of interatomic distances. Since the structure is quite small, solves easily, and presents a number of readily expressible refinement concepts, we feel that it would make a straightforward and concise instructional piece for students learning how to determine if their model provides the best fit for the data and show students how to critically assess their structures. 
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