The shape of the thermal ellipsoids of the carboxyl oxygen atoms O1, O2, O6, and O7 is indicative of some rotational movement (vibration) around the (carboxyl)C–C(aryl) bond (yet, no split refinement was suggested by SHELX from the principal mean square atomic displacements). Despite the...
Bond Angle QuestionThe bond angles of NH3,NH+4 and NH2− are in the order: NH−2>NH3>NH+4 NH+4>NH3>NH−2 NH>NH+4>NH−2 NH3>NH−2>NH+4 A NH−2>NH3>NH+4 B NH3>NH−2>NH+4 C NH>NH+4>NH−2 D NH+4>NH3>NH−2...
Almost all of the citrate bond distances, bond angles, and torsion angles fall within the normal ranges indicated by a Mercury Mogul geometry check (Macrae et al., 2020). Only the O13—C5—C4 angle of 117.3° [average = 119.4 (7)°, 6-score = 3.2] is flagged as unusual. Mogul...
Non-zero local dipole comes from the off-center displacement of NH4+in each local cage. The energetically favored site of molecules relies on the shape of inorganic PbI3cage through the hydrogen bonds and often have several certain choices. The stability of such local dipole strongly depends on ...
12. The ammonium ion and its hydrogen bonding toadjacent fluoride anions in2. The displacement parametersare shown at 70 % at 123 K, hydrogen bonds are drawn asdashed lines. D–H, H···A, D···A hydrogen bond lengths( ̊A) and DHA angle (deg), with D = Donor and A = A...