Dominic James Bara

Introduction Single-crystal X-ray diffraction (SCXRD) is regarded as the gold standard for structural characterization in chemistry and materials science as it provides an atomic-resolution description of molecular and crystal structures, enabling a platform for developing and understanding structure-property relationships. There remain classes of materials, often at the forefront of research areas, however, for which such structure determination remains either highly challenging or even elusive.

1 Introduction Certain metal–organic frameworks (MOFs), coordination networks of metal ions or clusters connected by organic linkers into nets with potential porosity,[1] can exhibit flexibility in response to external stimuli such as pressure, temperature, or guest exchange.[2-8] The MIL-53(M) series, with formula [M(OH)(BDC)]n (M = Sc3+, Cr3+, Fe3+, Al3+, Ga3+, In3+; BDC = benzene-1,4-dicarboxylate) can be considered archetypal for flexible MOFs.[9] MIL-53 was first isolated as the Cr...

Modulated self-assembly of three flexible Cr(iii) PCPs for SO2 adsorption and detection† Valeria B. López-Cervantes, ‡a Dominic Bara, ‡b Ana Yañez-Aulestia, ‡a Eva Martínez-Ahumada,a Alfredo López-Olvera,a Yoarhy A. Amador-Sánchez, a Diego Solis-Ibarra, *a Elí Sánchez-González,a Ilich A. Ibarra *a and Ross S.