OOIR: Observatory of International Research

Papers

(The TQCC of Acta Crystallographica Section B-Structural Science Crystal Engineerin is 3. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2022-05-01 to 2026-05-01.)

Article	Citations
One-dimensional diffuse scattering of 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene modelled with closed-form expressions	68
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb_nBi₄Te₄S	64
Is it possible to obtain a plausible experimental electronic structure without collecting high-order diffraction data?	32
EuPdSn ₂ : magnetic structures in view of resonant X-ray Bragg diffraction	23
Cs₄Ca[Si₈O₁₉]: a new mixed tetrahedral–octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates	20
Zharchikhite, AlF(OH)₂: a novel structure type related to α-PbO₂	20
Synthesis and structural characterization of a new dinuclear platinum(III) complex, [Pt ₂ Cl ₄ (NH	16
Effect of La doping on the structure and cycloidal spin ordering in multiferroic BiFeO₃	14
Phase formation of LiB ₃ O ₅ and other lithium borates in the multicomponent system NaF–B	12
Synthesis and structural study of the partially disordered complex hexagonal phase δ₁-MnZn_9.7	10
Synthesis and characterization of an organic–inorganic hybrid crystal: 2[Co(en)₃](V₄O₁₃)·4H₂O	10
Magnetic structure of the noncentrosymmetric magnet Sr₂MnSi₂O₇ through irreducible representation and magnetic space group analyses	10
New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite	9
SARAh – web representational analysis	9
Exploring the thermal behaviour of the solvated structures of nifedipine	8
Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 − x)BiFe_2/8Ti_3/8Mg_3/8O₃–x	8
Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V⁴⁺O and V⁴⁺O₂ vanadyl groups	8
Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction	7
Polymorphism of Pb₅(PO₄)₃OH_δ within the LK-99 mixture	7
The charge density and force-field view of bonding interactions in crystals with photomechanical properties: [Co(NH ₃ ) ₅	7
Structural and magnetic investigations of the Weyl semimetal family CeAlSi _{1– x}	6
Correlated disorder and crystal structure of β-VOSO₄	6
Crystal structure solution and high-temperature thermal expansion in NaZr₂(PO₄)₃-type materials	6
Structure stabilization effect of vacancies and entropy in hexagonal WN	6
Formation of contact and multiple cyclic cassiterite twins in SnO₂-based ceramics co-doped with cobalt and niobium oxides	6

Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction	6
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol	6
Guidelines for communicating commensurate magnetic structures. A report of the International Union of Crystallography Commission on Magnetic Structures	6
A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na ₅ Zn[Zn(PO ₄	6
Pushing crystallography's frontiers through quantum mechanics	6
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe ³⁺ -doped single-crystal samples	6
Design and synthesis of diverse Cd²⁺/Zn²⁺/Cu²⁺ coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescen	6
Effect of pre-rolling aging treatment on evolutions of the microstructure and the texture of aluminium alloy 7005 subjected to heavy cold rolling	6
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review	5
Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction	5
How much do molecular shapes matter?	5
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)	5
Structural phase transitions, dehydration and decomposition of ammonium hypodiphosphates	5
The physical space model of the Tsai-type quasicrystal	5
Dehydration, polymorphism and ionic conductivity of sodium hypodiphosphates	5
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum	5
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl₆] under high pressure	5
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides	5
(Na,Li)₃(Cl,OH)[Cu₃OAl(PO₄)₃]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure	5
The seventh blind test highlights exciting developments in crystal structure prediction	5
Current developments and trends in quantum crystallography	4
The effect of hydrostatic compression on the crystal structure of glycinium phosphite	4
Refinement of the crystal structure of fresnoite, Ba₂TiSi₂O₈, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrat	4
Three-dimensional electron diffraction on clinkers: the belite α′_H incommensurate modulated structure	4
Effect of nano-SiC doping on the structure and superconducting properties of Mg(B_1–xC_x)₂	4
Elastic and piezoelectric properties of β-glycine – a quantum crystallography view on intermolecular interactions and a high-pressure phase transition	4
Application of the method for visualization of noncovalent interactions in conformational polymorphs of four organic acids	4
A comparison of the isostructural [Co(NH₃)₅NO₂]XNO₃ and [Co(NH₃)₅ONO]XNO₃, X = Cl⁻ or Br	4
Symmetry Relationships between Crystal Structures. Second edition. By Ulrich Müller and Gemma de la Flor. IUCr/Oxford Science Publications, 2024. Pp. XVIII + 368. Price GBP 55.00. ISBN 978-0-19	4
Hydrogen bonding patterns and C—H...π interactions in the structure of the antiparkinsonian drug (R)-rasagiline mesylate determined using laboratory and synchrotron X-ray powder diffraction dat	4
Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates	4
Modulation of the modulated magnetic structure of an Ho i-MAX phase described by a magnetic (3+2)-dimensional superspace group	4
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives	4
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes	4
Incommensurately modulated structures of the M _1/8 Pr _5/8 MoO	4
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study	4
Resolving the structure of V₃O₇·H₂O and Mo-substituted V₃O₇·H₂O	4
A linear/quadratic order parameter coupling description of the Verwey transition in magnetite, Fe₃O₄	4
Sodium dodecyl sulfate induced formation of a messy structure methane hydrate: a molecular dynamics simulation study	4
Density functional theory investigation of the phase transition, elastic and thermal characteristics for AuMTe₂(M = Ga, In) chalcopyrite compounds	4
Bromine versus chlorine substituent in breathing crystals of a copper(I) coordination compound with a triazolamine Schiff base	4
Polytypism of Ln(SeO₃)(HSeO₃)·2H₂O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO₃)(HSeO₃)·2H₂	3
Structures of Ca₅(VO₄)₃Cl and Ca_4.78(1)Na_0.22(PO₄)₃Cl_0.78: positions of channel anions and repulsion on the anio	3
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study	3
Learning from approximate periodic symmetry in organic P1 structures	3
From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor^®)	3
Study on the vertical Bridgman method of melt-grown CsPbBr₃ single crystals for nuclear radiation detection	3
Following the guidelines for communicating commensurate magnetic structures: real case examples	3
Ultrasound-assisted synthesis of a Eu³⁺-functionalized Zn^II coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of Hg^II and	3
Efficient modulation of a barium metal–organic framework using amino acids	3

Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design	3
Computation screening for incorrectly determined cocrystal structures	3
Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals	3
Elastic and piezoelectric properties of ( R )-3-quinuclinidol under pressure: a quantum crystallography study	3
Crystallization induced by fungi and bacteria	3
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV₁₀O₂₈ ⁵⁻)]_0.4[(HGU⁺	3
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S₂O₃·H₂O versus 1-methylpiperazinediium·S₂O	3
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K⁺·C₅H₄N₅O⁻·H₂O	3
The seventh blind test of crystal structure prediction: structure ranking methods	3
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional group	3
Structure and properties of (Nd,Sr)(Al,Ta)O ₃ (NSAT) substrate crystals	3
Polymorph sampling with coupling to extended variables: enhanced sampling of polymorph energy landscapes and free energy perturbation of polymorph ensembles	3