Crystallography Open Database

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4511960 CIFAl6 Ca4 O16 SI -4 3 m9.19703; 9.19703; 9.19703
90; 90; 90
777.934Cuesta, Ana; De la Torre, Ángeles G.; Losilla, Enrique R.; Santacruz, Isabel; Aranda, Miguel A. G.
Pseudocubic Crystal Structure and Phase Transition in Doped Ye’elimite
Crystal Growth & Design, 2014, 14, 5158
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
4511753 CIFAs K O3P 1 21/c 18.9167; 19.0517; 12.1362
90; 90.149; 90
2061.7Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4511754 CIFAs K O3P 1 21/c 18.9748; 19.1172; 12.166
90; 90.1844; 90
2087.35Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4511755 CIFAs K O3P 1 21/c 19.0332; 19.187; 12.184
90; 90.235; 90
2111.71Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4511756 CIFAs K O3B -19.192; 10.285; 11.992
105.74; 90; 103.69
1057.7Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
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
4511757 CIFAs K0.798 O3 Rb0.202B -19.0742; 10.2593; 12.007
105.375; 90.02; 104.188
1042.4Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4510301 CIFB6 Br K0.8 Na2.2 O10P n m a12.818; 10.041; 7.5413
90; 90; 90
970.6Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan
Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property
Crystal Growth & Design, 2014, 14, 1794
4510300 CIFB6 Br K1.7 Na1.3 O10P n m a12.867; 9.93; 8.001
90; 90; 90
1022Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan
Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property
Crystal Growth & Design, 2014, 14, 1794
4510303 CIFB6 Br K2.33 Na0.67 O10R 3 m :H10.05; 10.05; 8.816
90; 90; 120
771.1Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan
Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property
Crystal Growth & Design, 2014, 14, 1794
4510302 CIFB6 Br K2.87 Na0.13 O10R 3 m :H10.071; 10.071; 8.824
90; 90; 120
775.1Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan
Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property
Crystal Growth & Design, 2014, 14, 1794
4512056 CIFBa2 Fe22.46 O38 Ti1.54P 63/m m c5.8981; 5.8981; 23.2029
90; 90; 120
699.03Vinnik, Denis A.; Zherebtsov, Dmitry A.; Mashkovtseva, Lubov S.; Nemrava, Sandra; Perov, Nikolai S.; Semisalova, Anna S.; Krivtsov, Igor V.; Isaenko, Ludmila I.; Mikhailov, Gennady G.; Niewa, Rainer
Ti-Substituted BaFe12O19Single Crystal Growth and Characterization
Crystal Growth & Design, 2014, 14, 5834
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
4510599 CIFBi Cl O3 SeC 1 c 122.7052; 76.785; 16.055
90; 135; 90
19792.3Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier
Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell
Crystal Growth & Design, 2014, 14, 3026
4510600 CIFBi10 Cl8 O36 Pb Se12C c c b :115.819; 17.871; 15.857
90; 90; 90
4483Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier
Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell
Crystal Growth & Design, 2014, 14, 3026
4510598 CIFBi6 Cl10 O12 Se4P 1 21/c 121.46; 8.4012; 15.337
90; 110.639; 90
2587.6Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier
Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell
Crystal Growth & Design, 2014, 14, 3026
4511950 CIFBr4 Fe3 O4 Sb2C m c a6.3099; 12.3959; 14.5287
90; 90; 90
1136.39Zimmermann, Iwan; Johnsson, Mats
A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides
Crystal Growth & Design, 2014, 14, 5252
4511948 CIFBr8 Fe7 O18 Sb10P -19.9229; 10.0059; 10.1097
72.723; 64.669; 64.836
812.99Zimmermann, Iwan; Johnsson, Mats
A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides
Crystal Growth & Design, 2014, 14, 5252
4511951 CIFBr8 Mn7 O18 Sb10P -19.9492; 10.1015; 10.1338
74.149; 66.166; 65.097
838.46Zimmermann, Iwan; Johnsson, Mats
A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides
Crystal Growth & Design, 2014, 14, 5252
4509978 CIFC10 H10 Ag N5 O4 SP 1 21/n 19.4803; 9.4473; 15.163
90; 94.868; 90
1353.1Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei
Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers
Crystal Growth & Design, 2014, 14, 300
4512319 CIFC10 H10 B Br F4 N2P 1 21/c 113.5556; 13.5811; 7.3247
90; 97.287; 90
1337.59Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512320 CIFC10 H10 B Br F4 N2P 1 21/c 113.722; 13.2565; 7.0604
90; 97.109; 90
1274.45Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512310 CIFC10 H10 B F4 I N2C 1 2/n 112.4909; 7.9389; 14.8184
90; 113.001; 90
1352.63Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512311 CIFC10 H10 B F4 I N2P 1 21/n 112.1812; 15.7817; 14.6363
90; 113.497; 90
2580.38Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512327 CIFC10 H10 B F4 I N2P 112.3353; 79.515; 14.7011
90; 113.236; 90
13250Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4513661 CIFC10 H10 B F4 I N2C 1 2/c 112.3353; 7.9515; 14.7011
90; 113.236; 90
1325Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512323 CIFC10 H10 Br Cl N2 O4C 1 2/c 110.2259; 12.5223; 20.4388
90; 92.547; 90
2614.64Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512324 CIFC10 H10 Br Cl N2 O4C 1 2/c 110.1232; 12.1732; 20.2353
90; 93.002; 90
2490.21Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512321 CIFC10 H10 Br F6 N2 PP 1 21/c 16.7065; 10.6364; 9.9879
90; 90.374; 90
712.45Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512322 CIFC10 H10 Br F6 N2 PP 1 21/c 16.6796; 10.6598; 9.6226
90; 89.073; 90
685.07Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512314 CIFC10 H10 Cl I N2 O4C 1 2/n 112.5366; 8.0714; 14.923
90; 113.319; 90
1386.68Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512315 CIFC10 H10 Cl I N2 O4P 1 21/n 112.1261; 15.9708; 14.7929
90; 113.742; 90
2622.39Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512328 CIFC10 H10 Cl I N2 O4P 112.4327; 80.829; 14.8445
90; 113.272; 90
13703.9Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4513662 CIFC10 H10 Cl I N2 O4C 1 2/c 112.4327; 8.0829; 14.8445
90; 113.272; 90
1370.39Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4509858 CIFC10 H10 F5 N2 O TaP -17.1842; 13.2358; 20.0804
74.8179; 89.3805; 85.8098
1837.78Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.
Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒
Crystal Growth & Design, 2014, 14, 844
4512312 CIFC10 H10 F6 I N2 PC 1 2/m 113.6186; 6.8104; 8.4412
90; 106.491; 90
750.7Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512313 CIFC10 H10 F6 I N2 PC 1 2/m 113.6291; 6.6689; 8.3311
90; 105.743; 90
728.82Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4509857 CIFC10 H10 F6 N3 TaP 1 21/c 18.9303; 17.7866; 7.9821
90; 96.7172; 90
1259.17Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.
Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒
Crystal Growth & Design, 2014, 14, 844
4512318 CIFC10 H10 I8 N2P 1 21/n 14.3576; 15.3233; 16.8802
90; 91.7309; 90
1126.62Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4511677 CIFC10 H10 N2 O5 ZnP 1 21/c 114.6217; 8.5579; 9.3563
90; 93.319; 90
1168.8Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.
Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity
Crystal Growth & Design, 2014, 14, 3935
4510271 CIFC10 H10 O5 ZnP 21 21 216.3131; 8.0821; 20.8006
90; 90; 90
1061.31Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit
Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies
Crystal Growth & Design, 2014, 14, 2022
4511804 CIFC10 H12 Ba3 O28 V2C 1 2/c 110.2354; 15.455; 17.536
90; 98.718; 90
2741.9Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad
Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method
Crystal Growth & Design, 2014, 14, 4749
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
4512006 CIFC10 H12 N2 O3 SP 1 21/c 18.773; 9.582; 13.599
90; 97.269; 90
1134Braga, 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
4510363 CIFC10 H12 N6 OC 1 2/c 111.5051; 16.5318; 6.3634
90; 93.046; 90
1208.61Chesman, 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
4511390 CIFC10 H13 N OC 1 2/c 124.1972; 5.1143; 17.6687
90; 121.267; 90
1869Khrustalev, 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
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
4510356 CIFC10 H13 N O5 SP 21 21 214.9709; 9.7703; 24.2865
90; 90; 90
1179.53Zolotarev, Pavel N.; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Al-amshany, Zahra M.; Blatov, Vladislav A.
A Possible Route toward Expert Systems in Supramolecular Chemistry: 2-Periodic H-Bond Patterns in Molecular Crystals
Crystal Growth & Design, 2014, 14, 1938

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