Crystal Engineering

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#	Title	Journal	Year	Citations
1	The Cambridge Structural Database	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	7,159
2	Use of intensity quotients and differences in absolute structure refinement	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	1,525
3	Report on the sixth blind test of organic crystal structure prediction methods	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	445
4	Comprehensive derivation of bond-valence parameters for ion pairs involving oxygen	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	298
5	Model structures for C-(A)-S-H(I)	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	273
6	Crystalline metal-organic frameworks (MOFs): synthesis, structure and function	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	246
7	SoftBV – a software tool for screening the materials genome of inorganic fast ion conductors	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	238
8	Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	222
9	C–halogen···π interactions and their influence on molecular conformation and crystal packing: a database study	Crystal Engineering	2000	201
10	Why don't we find more polymorphs?	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	179
11	Crystal engineering using 4,4′-bipyridyl with di- and tricarboxylic acids	Crystal Engineering	2002	136
12	Specifics of the data processing of precession electron diffraction tomography data and their implementation in the program PETS2.0	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	133
13	X-ray diffraction: a powerful tool to probe and understand the structure of nanocrystalline calcium silicate hydrates	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	129
14	The generalized invariom database (GID)	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	123
15	The charge-flipping algorithm in crystallography	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	118
16	Structure refinement using precession electron diffraction tomography and dynamical diffraction: tests on experimental data	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	115
17	Copper(I) iodide coordination networks–controlling the placement of (CuI)∞ ladders and chains within two-dimensional sheets	Crystal Engineering	1999	99
18	Perovskite manganites: potential materials for magnetic cooling at or near room temperature	Crystal Engineering	2002	97
19	Perovskite manganites and layered cobaltites: potential materials for thermoelectric applications	Crystal Engineering	2002	96
20	High-pressure-induced structural changes in molecular crystals preserving the space group symmetry: anisotropic distortion/isosymmetric polymorphism	Crystal Engineering	2003	94
21	Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	94
22	Crystal Engineering: Some Further Strategies	Crystal Engineering	1998	92
23	On the effective ionic radii for ammonium	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	91
24	C–halogen…π interactions in proteins: a database study	Crystal Engineering	2003	86
25	Structural studies of metal–organic frameworks under high pressure	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	82
26	Crystallographic studies of gas sorption in metal–organic frameworks	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	79
27	Revised values of the bond-valence parameters for Te^IV—O, Te^VI—O and Te^IV—Cl	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	78
28	High-Z′ structures of organic molecules: their diversity and organizing principles	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	75
29	How important is thermal expansion for predicting molecular crystal structures and thermochemistry at finite temperatures?	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	75
30	‘A’ cation control of perovskite properties	Crystal Engineering	2002	73
31	Structure reinvestigation of α-, β- and γ-In₂S₃	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	72
32	Nucleation and crystallization of CaCO3 in applied magnetic fields	Crystal Engineering	2002	70
33	Crystal structure and phase transition of thermoelectric SnSe	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	70
34	Structural complexity and configurational entropy of crystals	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	70
35	The importance of proper crystal-chemical and geometrical reasoning demonstrated using layered single and double hydroxides	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	69
36	Is there any point in making co-crystals?	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	69
37	High temperature ferro-paraelectric phase transition in tris(trimethylammonium) nonachlorodiantimonate(III) (TMACA) studied by X-ray diffraction method	Crystal Engineering	2001	68
38	Tilting structures ininverseperovskites,M₃TtO (M= Ca, Sr, Ba, Eu;Tt= Si, Ge, Sn, Pb)	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	64
39	Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	62
40	Crystal structures of alkali metal (Group 1) citrate salts	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2018	61
41	Bond-length distributions for ions bonded to oxygen: metalloids and post-transition metals	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2018	60
42	A comprehensive classification and nomenclature of carboxyl–carboxyl(ate) supramolecular motifs and related catemers: implications for biomolecular systems	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	58
43	Classification ofABO₃perovskite solids: a machine learning study	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	56
44	3D electron diffraction techniques	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	56
45	Disappearing and reappearing polymorphs—an anathema to crystal engineering?	Crystal Engineering	1998	55
46	Tolerance factor for pyrochlores and related structures	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	54
47	X-ray resonant single-crystal diffraction technique, a powerful tool to investigate the kesterite structure of the photovoltaic Cu₂ZnSnS₄compound	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	54
48	The crystal chemistry of inorganic metal borohydrides and their relation to metal oxides	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	53
49	Organic crystal polymorphism: a benchmark for dispersion-corrected mean-field electronic structure methods	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	53
50	Supramolecular Isomerism and Polymorphism in Dianion Salts of Pyromellitic Acid	Crystal Engineering	1998	51
51	Solid-state transformation of nanocrystalline phyllomanganate into tectomanganate: influence of initial layer and interlayer structure	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	51
52	The hydrogen bond between N—H or O—H and organic fluorine: favourable yes, competitive no	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2017	49
53	Aperiodic crystals and superspace concepts	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	48
54	Structure–property relationships in lithium superionic conductors having a Li₁₀GeP₂S₁₂-type structure	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	46
55	Synthesis of co-ordination networks from flexible bis-(4-pyridyl) ligands and cadmium salts.	Crystal Engineering	2001	45
56	A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	45
57	HexagonalRMnO₃: a model system for two-dimensional triangular lattice antiferromagnets	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	45
58	Testing the tools for revealing and characterizing the iodine–iodine halogen bond in crystals	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2017	45
59	2,4,6-tris-4-(bromophenoxy)-1,3,5-triazine: a hexagonal host framework assembled with robust Br⋯Br trimer synthons	Crystal Engineering	1999	44
60	Tuning solubility and stability of hydrochlorothiazide co-crystals	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	44
61	Relationships between hydrogen bonds and halogen bonds in biological systems	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2017	44
62	Empirical Lewis acid strengths for 135 cations bonded to oxygen	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2017	44
63	Accurate and precise lattice parameters of H₂O and D₂O ice Ihbetween 1.6 and 270 K from high-resolution time-of-flight neutron powder diffraction data	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2018	44
64	Silver-triphenylphosphine coordination polymers with linear spacer ligands	Crystal Engineering	2000	43
65	Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH₃CH₂CH(NH₃)CH₂]BiCl₅	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	43
66	Electronic criterion for categorizing the chalcogen and halogen bonds: sulfur–iodine interactions in crystals	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	43
67	Structural diversity in hybrid organic–inorganic lead iodide materials	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	42
68	Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2017	42
69	A half-salamo-based pyridine-containing ligand and its novel Ni^II complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2021	42
70	1-D coordination polymers containing benzenedicarboxylate	Crystal Engineering	2001	41
71	Role of chloroform and dichloromethane solvent molecules in crystal packing: an interaction propensity study	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	41
72	Spinel materials for Li-ion batteries: new insights obtained byoperandoneutron and synchrotron X-ray diffraction	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2015	41
73	Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	41
74	Terephthlate bridged coordination polymers based upon group two metals	Crystal Engineering	1999	40
75	Hydrogen-bond coordination in organic crystal structures: statistics, predictions and applications	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	40
76	Charge distribution as a tool to investigate structural details. IV. A new route to heteroligand polyhedra	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	38
77	Towards quantitative treatment of electron pair distribution function	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	38
78	Low-Dimensional Architectures of Silver Coordination Compounds Assembled via Amide-Amide Hydrogen Bonds	Crystal Engineering	1998	37
79	Structure determination of KLaS₂, KPrS₂, KEuS₂, KGdS₂, KLuS₂, KYS₂, RbYS₂, NaLaS₂and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	37
80	CH₃NH₃PbI₃: precise structural consequences of water absorption at ambient conditions	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	37
81	Discrete Macrocycles to Infinite Polymeric Frames: Crystal Engineering Studies of Ag(I):Pyrimidine Complexes	Crystal Engineering	1998	35
82	Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H···H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]·4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]·3H2O	Crystal Engineering	2000	35
83	Synthesis and characterisation of infinite coordination networks with 1,6-bis(4-pyridyl)hexane and copper nitrate	Crystal Engineering	2001	35
84	Silver(I)–3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine coordination polymers: a diversity of chain motifs	Crystal Engineering	1999	34
85	Tetraiodoethylene: a supramolecular host for Lewis base donors	Crystal Engineering	2000	34
86	Crystallization of chiral molecular compounds: what can be learned from the Cambridge Structural Database?	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2020	34
87	Bond-length distributions for ions bonded to oxygen: results for the lanthanides and actinides and discussion of the f-block contraction	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2018	33
88	Ion and molecular recognition effects on the crystallisation of bovine serum albumin–salt mixtures	Crystal Engineering	2000	32
89	Morphology of nanoscaled LaMO3-particles (M=Mn, Fe, Co, Ni) derived by citrate precursors in aqueous and alcoholic solvents	Crystal Engineering	2002	32
90	Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2014	32
91	Crystal structure solution for the A ₆ B ₂O₁₇ (A = Zr, Hf; B = Nb, Ta) superstructure	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	32
92	Polytypes and twins in the diamond–lonsdaleite system formed by high-pressure and high-temperature treatment of graphite	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	31
93	A high-pressure single-crystal to single-crystal phase transition inDL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	30
94	High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO₃phases	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	30
95	Crystal structure prediction: are we there yet?	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2016	30
96	Growth, crystal structure, Hirshfeld surface, optical, piezoelectric, dielectric and mechanical properties of bis(L-asparaginium hydrogensquarate) single crystal	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2017	30
97	Inelastic scattering and solvent scattering reduce dynamical diffraction in biological crystals	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2019	30
98	Flexible bilayer architectures in the coodination polymers [MII(NO3)2(1,2-BIS(4-pyridyl)ethane)1.5]n (MII = Co, Ni)	Crystal Engineering	1998	29
99	Synthesis, structure and magnetic properties of copper hydroxysulfates	Crystal Engineering	2002	29
100	Hirshfeld surface analysis of new phosphoramidates	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	2013	29

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