Crystallography Open Database

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4509949 CIFBi Cl OP 4/n m m :23.88551; 3.88551; 7.3489
90; 90; 90
110.948Biswas, Anupam; Das, Raja; Dey, Chandan; Banerjee, Rahul; Poddar, Pankaj
Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity
Crystal Growth & Design, 2014, 14, 236
4511818 CIFF Fe O3 Sr2P 4/n m m :23.8644; 3.8644; 13.1678
90; 90; 90
196.642Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Hayashi, Naoaki; Yamaura, Kazunari; Uchikoshi, Tetsuo
Anion Order-to-Disorder Transition in Layered Iron Oxyfluoride Sr2FeO3F Single Crystals
Crystal Growth & Design, 2014, 14, 4278
4511822 CIFC7 H17 N O5P 14.819; 5.131; 9.627
104.662; 93.985; 92.586
229.2Nauha, Elisa; Bernstein, Joel
“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases
Crystal Growth & Design, 2014, 14, 4364
4511738 CIFC10 H4 Li2 O8P -15.0422; 7.1471; 7.2031
83.237; 76.586; 81.731
248.91Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.
Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study
Crystal Growth & Design, 2014, 14, 4355
4511617 CIFC4 H7 N O3P 1 c 15.6612; 5.1428; 9.5438
90; 93.246; 90
277.42Cherukuvada, Suryanarayan; Guru Row, Tayur N.
Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships
Crystal Growth & Design, 2014, 14, 4187
4511275 CIFC8 H5 FP 1 21 13.9343; 5.9336; 12.962
90; 98.467; 90
299.29Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.
Polymorphism Arising from Differing Rates of Compression of Liquids
Crystal Growth & Design, 2014, 14, 3384
4511276 CIFC8 H5 FP 1 21 17.031; 5.924; 7.441
90; 103.563; 90
301.3Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.
Polymorphism Arising from Differing Rates of Compression of Liquids
Crystal Growth & Design, 2014, 14, 3384
4511618 CIFC14 H14 N2 O4P -15.4131; 6.0085; 9.9526
87.699; 84.94; 73.561
309.22Cherukuvada, Suryanarayan; Guru Row, Tayur N.
Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships
Crystal Growth & Design, 2014, 14, 4187
4510494 CIFC8 H14 Na2 O12P -16.1351; 6.3115; 9.1906
95.537; 96.302; 116.231
313.07Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.
Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers
Crystal Growth & Design, 2014, 14, 2605
4510495 CIFC8 H14 Na2 O12P -16.1285; 7.7676; 8.0964
115.7; 101.316; 103.008
318.87Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.
Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers
Crystal Growth & Design, 2014, 14, 2605
4511285 CIFI2C m c e7.1589; 4.6915; 9.8014
90; 90; 90
329.19Bertolotti, Federica; Shishkina, Anastasia V.; Forni, Alessandra; Gervasio, Giuliana; Stash, Adam I.; Tsirelson, Vladimir G.
Intermolecular Bonding Features in Solid Iodine
Crystal Growth & Design, 2014, 14, 3587
4511671 CIFLa Na O8 W2I 41/a :25.349; 5.349; 11.628
90; 90; 90
332.698Wang, Zijun; Zhong, Jiuping; Jiang, Haoxing; Wang, Jing; Liang, Hongbin
Controllable Synthesis of NaLu(WO4)2:Eu3+Microcrystal and Luminescence Properties for LEDs
Crystal Growth & Design, 2014, 14, 3767
4512183 CIFC6 H4 B F3 O2P -14.3762; 5.0241; 15.6401
96.483; 94.143; 92.835
340.2Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika
Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals
Crystal Growth & Design, 2014, 14, 5912
4511824 CIFC6 H7 F N3 O3P -14.9209; 8.6115; 9.4689
72.466; 75.129; 89.747
368.64da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier
Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule
Crystal Growth & Design, 2014, 14, 4383
4511752 CIFAs K O3P 21 21 2113.22953; 4.69411; 6.06453
90; 90; 90
376.613Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4510577 CIFC7 H6 Cl N SP -14.042; 5.6966; 16.617
91.143; 95.903; 92.81
380.01Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.
Crystal Landscape of Primary Aromatic Thioamides
Crystal Growth & Design, 2014, 14, 2753
4511699 CIFCd O5 SP 1 21/n 17.6262; 7.4531; 7.6295
90; 115.423; 90
391.66Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep
Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks
Crystal Growth & Design, 2014, 14, 4124
4510497 CIFC8 H16 Ba2 O14P -16.419; 7.9361; 8.911
103.757; 104.137; 106.945
397.04Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.
Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers
Crystal Growth & Design, 2014, 14, 2605
4510539 CIFC7 H9 N3 O2P -16.4717; 7.9214; 8.6745
72.412; 86.116; 69.625
397.04Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika
Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies
Crystal Growth & Design, 2014, 14, 2263
4511249 CIFC8 H4 F4 N2 OP -15.009; 8.499; 10.854
103.871; 101.076; 104.493
418.41Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José
Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles
Crystal Growth & Design, 2014, 14, 3499
4511825 CIFC7 H9 F N3 O3P -15.2742; 6.665; 12.8441
86.411; 80.757; 71.97
423.72da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier
Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule
Crystal Growth & Design, 2014, 14, 4383
4511575 CIFC14 H10 Cu N2 O12 UP -15.3553; 7.685; 10.951
104.448; 90.485; 100.058
429.09Kerr, Andrew T.; Cahill, Christopher L.
CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence
Crystal Growth & Design, 2014, 14, 4094
4511812 CIFC6 H10 N2 O6 ZnP 1 21 14.8075; 9.4727; 9.7014
90; 95.763; 90
439.57Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís
Toward the Construction of 3D Dipeptide‒Metal Frameworks
Crystal Growth & Design, 2014, 14, 4777
4512027 CIFC6 H8 N2 O4 SP 1 21 16.3856; 6.6445; 10.5589
90; 91.304; 90
447.89Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar
Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation
Crystal Growth & Design, 2014, 14, 5966
4511826 CIFC8 H7 F N3 O3P -13.6265; 9.5274; 13.7902
107.812; 92.036; 96.844
449.09da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier
Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule
Crystal Growth & Design, 2014, 14, 4383
4511392 CIFC10 H13 N OP 15.1941; 9.4531; 10.0232
96.343; 102.945; 104.938
455.971Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4511391 CIFC10 H13 N OP 15.1916; 9.4525; 10.0367
96.326; 102.938; 104.998
456.226Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4511395 CIFC11 H11 N O2P 1 21 16.7076; 7.0112; 10.021
90; 102.635; 90
459.86Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4511394 CIFC11 H11 N O2P 1 21 16.70721; 7.01427; 10.01819
90; 102.64; 90
459.895Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4510361 CIFC7 H12 N4 OP 1 21/m 18.663; 6.5838; 9.0253
90; 116.56; 90
460.4Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.
Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study
Crystal Growth & Design, 2014, 14, 1922
4510586 CIFC13 H11 NP 1 21 17.897; 5.861; 10.737
90; 108.062; 90
472.5Kupka, A.; Schauerte, C.; Merz, K.
Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine
Crystal Growth & Design, 2014, 14, 2985
4510584 CIFC27.4 H23 N0.6P 1 21 17.749; 6.056; 10.71
90; 107.694; 90
478.8Kupka, A.; Schauerte, C.; Merz, K.
Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine
Crystal Growth & Design, 2014, 14, 2985
4510585 CIFC27 H23 NP 1 21 17.749; 6.056; 10.71
90; 107.694; 90
478.8Kupka, A.; Schauerte, C.; Merz, K.
Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine
Crystal Growth & Design, 2014, 14, 2985
4511997 CIFC12 H12 Br6 N6 ReP -17.3551; 8.0853; 8.6347
86.985; 77.629; 84.01
498.59Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.
Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties
Crystal Growth & Design, 2014, 14, 5985
4511704 CIFC20 H22 Cu N4 O8P -16.3708; 6.8768; 12.2249
95.797; 97.358; 105.452
506.83Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu
New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties
Crystal Growth & Design, 2014, 14, 3727
4511859 CIFC7 H11 Ag2 N3 O5P 1 21 14.8111; 19.933; 5.483
90; 103.41; 90
511.48Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511870 CIFC7 H11 Ag2 N3 O5P 1 21 14.8078; 19.908; 5.4958
90; 103.298; 90
511.92Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511871 CIFC7 H11 Ag2 N3 O5P 1 21 14.809; 19.923; 5.4926
90; 103.349; 90
512.03Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511861 CIFC7 H11 Ag2 N3 O5P 1 21 14.814; 19.924; 5.5056
90; 103.356; 90
513.8Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511869 CIFC7 H11 Ag2 N3 O5P 1 21 14.8117; 19.917; 5.5101
90; 103.221; 90
514.06Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4509940 CIFC18 H14 Br4 N2 O6P -16.4938; 9.2279; 9.9675
64.0531; 85.7704; 73.6886
514.63Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4511860 CIFC7 H11 Ag2 N3 O5P 1 21 14.8207; 19.966; 5.5008
90; 103.363; 90
515.12Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511862 CIFC7 H11 Ag2 N3 O5P 1 21 14.8259; 19.954; 5.5272
90; 103.186; 90
518.21Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511868 CIFC7 H11 Ag2 N3 O5P 1 21 14.8255; 19.958; 5.5336
90; 103.141; 90
518.97Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4510365 CIFC3 H2 Ag N3 O3P 1 21/c 13.5082; 15.467; 9.685
90; 98.03; 90
520.37Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.
Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study
Crystal Growth & Design, 2014, 14, 1922
4511867 CIFC7 H11 Ag2 N3 O5P 1 21 14.8298; 19.955; 5.5441
90; 103.05; 90
520.53Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511866 CIFC7 H11 Ag2 N3 O5P 1 21 14.8314; 19.955; 5.547
90; 103.005; 90
521.07Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511864 CIFC7 H11 Ag2 N3 O5P 1 21 14.833; 19.978; 5.5547
90; 103.038; 90
522.5Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511863 CIFC7 H11 Ag2 N3 O5P 1 21 14.8387; 19.991; 5.5464
90; 103.104; 90
522.54Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511865 CIFC7 H11 Ag2 N3 O5P 1 21 14.8367; 19.97; 5.5587
90; 102.953; 90
523.25Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko
Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands
Crystal Growth & Design, 2014, 14, 4882
4511885 CIFC4 H11 Ca N O9 P2P -17.12; 7.2986; 10.5043
78.615; 80.272; 88.585
527.41Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.
Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate
Crystal Growth & Design, 2014, 14, 5234
4512013 CIFC10 H9 N O6 ZnP -17.791; 8.989; 9.16
116.446; 104.488; 98.089
532.1Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana
How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks
Crystal Growth & Design, 2014, 14, 5452
4511295 CIFC5 H5 N3 OP 1 21/c 114.3396; 3.6211; 10.6131
90; 101.044; 90
540.88Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof
Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics
Crystal Growth & Design, 2014, 14, 3453
4511982 CIFO4 P SmC 1 2 112.14431; 7.01776; 6.34756
90; 90.028; 90
540.976Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas
Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O
Crystal Growth & Design, 2014, 14, 5090
4511723 CIFC7 H14 Cl2 O3P m n 2111.703; 10.49; 4.4154
90; 90; 90
542.05Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.
Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs
Crystal Growth & Design, 2014, 14, 4303
4512005 CIFC10 H12 N2 O3 SP -16.9435; 7.5192; 11.5084
86.793; 80.123; 70.172
556.85Braga, Dario; Grepioni, Fabrizia; Chelazzi, Laura; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano L.; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana
Bentazon: Effect of Additives on the Crystallization of Pure and Mixed Polymorphic Forms of a Commercial Herbicide
Crystal Growth & Design, 2014, 14, 5729
4511296 CIFC6 H6 N2 OP 1 21/c 13.8563; 15.6302; 9.3702
90; 98.188; 90
559.03Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof
Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics
Crystal Growth & Design, 2014, 14, 3453
4509867 CIFC2 Ca O10.5 P2P -15.7626; 9.672; 10.8216
76.15; 87.995; 72.813
559.05Niekiel, Felicitas; Stock, Norbert
Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods
Crystal Growth & Design, 2014, 14, 599
4511883 CIFC14 H10 Cl2P 1 21/n 15.616; 17.1845; 6.2868
90; 110.843; 90
567.02Harada, Jun; Ogawa, Keiichiro
What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
Crystal Growth & Design, 2014, 14, 5182
4511722 CIFC7 H14 Br2 O3P m n 2112.016; 10.6738; 4.4634
90; 90; 90
572.46Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.
Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs
Crystal Growth & Design, 2014, 14, 4303
4510210 CIFC12 H13 N3 SP -15.9338; 7.3798; 13.2891
99.4247; 93.1907; 92.2136
572.51Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes
Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation
Crystal Growth & Design, 2014, 14, 1018
4511790 CIFC32 H24 N2 O2P -15.8501; 7.8284; 13.0761
74.624; 83.442; 86.913
573.46Calvo-Castro, Jesus; Warzecha, Monika; Kennedy, Alan R.; McHugh, Callum J.; McLean, Andrew J.
Impact of Systematic Structural Variation on the Energetics of π‒π Stacking Interactions and Associated Computed Charge Transfer Integrals of Crystalline Diketopyrrolopyrroles
Crystal Growth & Design, 2014, 14, 4849
4510136 CIFC29 H24 N4 O5P -14.5301; 11.579; 12.321
111.787; 99.823; 97.184
578.7Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.
Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes
Crystal Growth & Design, 2014, 14, 993
4511882 CIFC14 H10 Cl2P 1 21/n 15.6669; 17.2268; 6.3486
90; 110.947; 90
578.81Harada, Jun; Ogawa, Keiichiro
What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
Crystal Growth & Design, 2014, 14, 5182
4509942 CIFC8 H2 Br4 O4C 1 2/m 18.0299; 10.3117; 7.0948
90; 99.5592; 90
579.31Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4511255 CIFC16 H30 N4 O8 P2 S2P -14.8022; 10.3715; 12.108
99.771; 93.061; 99.947
583.24Lie, Sharon; Maris, Thierry; Wuest, James D.
Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)
Crystal Growth & Design, 2014, 14, 3658
4511788 CIFC12 H8 Ca N2 O6P 1 21/c 17.0489; 10.8422; 8.0341
90; 107.826; 90
584.53White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard
Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations
Crystal Growth & Design, 2014, 14, 4602
4512190 CIFC7 H6 Cu Mo2 N4 O7P -15.129; 9.7697; 12.5421
110.797; 93.722; 90.436
585.97Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming
Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks
Crystal Growth & Design, 2014, 14, 5773
4511880 CIFC16 H16P 1 21/n 15.7047; 16.8879; 6.5872
90; 112.365; 90
586.88Harada, Jun; Ogawa, Keiichiro
What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
Crystal Growth & Design, 2014, 14, 5182
4510516 CIFC11 H11 N3 S2P -15.7601; 8.871; 12.097
103.779; 96.286; 95.705
591.67Phukan, Nithi; Baruah, Jubaraj B.
Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers
Crystal Growth & Design, 2014, 14, 2640
4511881 CIFC14 H10 Cl2P 1 21/n 15.721; 17.3014; 6.4223
90; 111.047; 90
593.28Harada, Jun; Ogawa, Keiichiro
What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
Crystal Growth & Design, 2014, 14, 5182
4509945 CIFC18 H10 Br4 I2 N2 O4P -16.8225; 8.9985; 10.1541
96.117; 90.172; 106.548
593.8Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4510496 CIFC8 H10 K2 O10P 1 21/n 16.2679; 15.3935; 6.3897
90; 105.5; 90
594.09Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.
Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers
Crystal Growth & Design, 2014, 14, 2605
4510878 CIFC22 H24 N4 O10P 17.0988; 7.3613; 12.1428
77.496; 88.25; 74.232
595.91George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom
Does Chirality Influence the Tendency toward Cocrystal Formation?
Crystal Growth & Design, 2014, 14, 2880
4511879 CIFC16 H16P 1 21/n 15.7726; 17.0351; 6.6086
90; 112.553; 90
600.17Harada, Jun; Ogawa, Keiichiro
What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
Crystal Growth & Design, 2014, 14, 5182
4509944 CIFC20 H14 Br4 N6 O6P -18.4983; 8.7073; 9.9547
92.062; 112.55; 114.459
602.4Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4511843 CIFC9 H14 F6 N PP -18.8517; 9.1524; 9.2668
63.953; 64.555; 85.076
604.15Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.
Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids
Crystal Growth & Design, 2014, 14, 4270
4512382 CIFC16 H30 Cl4 N4 O2 UP -18.9048; 8.9663; 9.0618
73.85; 68.9; 64.912
604.55Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li
Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts
Crystal Growth & Design, 2014, 14, 6421
4510944 CIFC7 H6 F2P 1 21/n 15.854; 7.9654; 13.198
90; 100.18; 90
605.7Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.
Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene
Crystal Growth & Design, 2014, 14, 3124
4511965 CIFC4 H9 N3 O2P n a 2111.9504; 5.3453; 9.5314
90; 90; 90
608.85Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.
Creatine: Polymorphs Predicted and Found
Crystal Growth & Design, 2014, 14, 4895
4511277 CIFC8 H5 FP n a 217.578; 13.024; 6.171
90; 90; 90
609.1Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.
Polymorphism Arising from Differing Rates of Compression of Liquids
Crystal Growth & Design, 2014, 14, 3384
4510579 CIFC8 H7 N O10 UP -17.8201; 8.1694; 10.2669
106.698; 103.2; 90.842
609.38Cantos, Paula M.; Cahill, Christopher L.
A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species
Crystal Growth & Design, 2014, 14, 3044
4512037 CIFC20 H34 N4 O4 S2P -17.8169; 7.8365; 11.4009
73.31; 82.018; 65.685
609.46Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar
Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation
Crystal Growth & Design, 2014, 14, 5966
4511878 CIFC16 H16P 1 21/n 15.8389; 17.2035; 6.6533
90; 112.747; 90
616.34Harada, Jun; Ogawa, Keiichiro
What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
Crystal Growth & Design, 2014, 14, 5182
4511964 CIFC4 H9 N3 O2P 1 21/n 15.4857; 11.4417; 9.9624
90; 98.663; 90
618.16Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.
Creatine: Polymorphs Predicted and Found
Crystal Growth & Design, 2014, 14, 4895
4510099 CIFC14 H12 N2 O3P -17.4624; 7.7677; 10.981
91.289; 95.146; 102.19
619.1Mukherjee, Arijit; Desiraju, Gautam R.
Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals
Crystal Growth & Design, 2014, 14, 1375
4512180 CIFC6 H6 B F O2P 1 21/c 15.10172; 5.5566; 22.0587
90; 94.731; 90
623.19Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika
Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals
Crystal Growth & Design, 2014, 14, 5912
4510178 CIFC13 H11 N Ni O6P -17.067; 9.5235; 10.4625
111.73; 101.486; 96.874
626.38Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen
Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine
Crystal Growth & Design, 2014, 14, 1110
4511998 CIFC16 H20 Br6 N6 O2 ReP -18.1914; 8.8446; 9.7565
69.846; 71.273; 82.038
628.13Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.
Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties
Crystal Growth & Design, 2014, 14, 5985
4512028 CIFC18 H32 N4 O10 S2P -14.95459; 7.5581; 17.8016
92.253; 90.649; 109.029
629.5Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar
Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation
Crystal Growth & Design, 2014, 14, 5966
4512182 CIFC6 H5 B F2 O2P 1 21/n 15.02719; 5.39423; 23.2334
90; 91.897; 90
629.69Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika
Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals
Crystal Growth & Design, 2014, 14, 5912
4511758 CIFAs K O3P b c n11.3246; 11.4255; 4.8816
90; 90; 90
631.63Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4512381 CIFC16 H30 Cl4 N4 O2 UP -18.8731; 8.9844; 9.2813
73.82; 66.506; 71.928
634.81Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li
Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts
Crystal Growth & Design, 2014, 14, 6421
4510568 CIFC6 H6 N2 SP 1 21/c 13.8217; 10.562; 15.907
90; 93.636; 90
640.8Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.
Crystal Landscape of Primary Aromatic Thioamides
Crystal Growth & Design, 2014, 14, 2753
4512186 CIFC6 H5 B F2 O2P 1 21/n 14.9578; 5.5256; 23.484
90; 93.974; 90
641.79Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika
Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals
Crystal Growth & Design, 2014, 14, 5912
4512184 CIFC6 H4 B F3 O2P 1 21/n 15.00301; 5.33367; 24.2178
90; 90.2585; 90
646.23Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika
Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals
Crystal Growth & Design, 2014, 14, 5912
4512187 CIFC6 H5 B F2 O2P 1 21/n 13.67926; 12.2868; 14.3179
90; 93.057; 90
646.34Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika
Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals
Crystal Growth & Design, 2014, 14, 5912
4510108 CIFC14 H16 N2 O3P -17.9027; 9.251; 9.692
70.636; 77.528; 79.727
648.3Mukherjee, Arijit; Desiraju, Gautam R.
Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals
Crystal Growth & Design, 2014, 14, 1375
4512185 CIFC6 H5 B F2 O2P 1 21/c 14.15299; 5.11382; 30.7324
90; 90.0696; 90
652.683Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika
Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals
Crystal Growth & Design, 2014, 14, 5912
4511742 CIFC14 H16 Mo6 N4 O19P -17.741; 9.604; 10.2
113.291; 107.492; 92.45
652.9Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li
Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems
Crystal Growth & Design, 2014, 14, 4450

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